From 917496bae9579c18028fce6388bc6b011b76ce0d Mon Sep 17 00:00:00 2001 From: Rodrigo V Honorato Date: Wed, 9 Oct 2024 14:16:01 +0200 Subject: [PATCH 1/7] add test to check if `capri_ss` and `capri_clt` match --- .../models_for_clustering/rigidbody_1.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_10.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_11.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_12.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_13.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_14.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_15.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_16.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_17.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_18.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_19.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_2.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_20.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_3.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_4.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_5.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_6.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_7.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_8.pdb | 1403 +++++++++++++++++ .../models_for_clustering/rigidbody_9.pdb | 1403 +++++++++++++++++ integration_tests/test_caprieval.py | 153 +- 21 files changed, 28200 insertions(+), 13 deletions(-) create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_1.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_10.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_11.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_12.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_13.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_14.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_15.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_16.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_17.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_18.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_19.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_2.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_20.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_3.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_4.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_5.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_6.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_7.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_8.pdb create mode 100644 integration_tests/golden_data/models_for_clustering/rigidbody_9.pdb diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_1.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_1.pdb new file mode 100644 index 000000000..9cfe10ce7 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_1.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_1.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_1.pdb +REMARK =============================================================== +REMARK HADDOCK score: -34.4796 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 197.278, 0, 0, 0, 0, -29.5305, -1.00437, 227.812, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.841538,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 3, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 2, 0.885565 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.63624 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -28.8987 +REMARK =============================================================== +REMARK buried surface area: 785.911 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 -12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 -11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 -12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 -13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 -13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 -13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 -13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 -14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 -14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 -14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 -15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 -11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 -10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 -11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 -12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 -10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 -9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 -8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 -9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 -10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 -11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 -9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 -8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 -9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 -8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 -9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 -9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 -10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 -10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 -10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 -11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 -11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 -12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 -8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 -8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 -9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 -10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 -8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 -10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 -9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 -9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 -9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 -7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 -7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 -6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 -6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 -5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 -4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 -3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 -2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 -3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 -3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 -3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 -2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 -2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 -2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 -3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 -4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 -3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 -5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 -5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 -6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 -7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 -7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 -8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 -8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 -7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 -6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 -8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 -8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 -9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 -10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 -11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 -12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 -12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 -13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 -9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 -9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 -8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 -7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 -7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 -6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 -5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 -6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 -4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.960 -6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 -6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 -5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 -5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 -5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 -4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 -5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 -5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 -7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 -7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 -8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 -9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 -9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 -10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 -11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 -12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 -11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 -10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 -11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 -10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 -12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 -12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 -12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 -8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 -8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 -8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 -8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 -8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 -9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 -7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 -7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 -6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 -6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 -5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 -4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 -4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 -2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 -4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 -5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 -4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 -5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 -5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 -5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 -5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 -5.456 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 -4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 -3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 -2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 -1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 -2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 -2.637 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 -6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 -5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 -7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 -7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 -8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 -9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 -8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 -8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 -7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 -7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 -7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 -6.897 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 -8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 -8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 -5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 -5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 -5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 -5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 -3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 -2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 -1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 -2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 -3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 -1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 -1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 -2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 -1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 -0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 -0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 -0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 -1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 -0.683 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 -0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 7.402 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.751 8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.457 3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 -1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 -1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 -2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.052 2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 -0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 -1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 -1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 1.044 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.778 3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 -0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 -1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 -1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 -0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 -0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 -0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 -0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 -0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 -1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 -2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 -2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 -2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 -2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 -3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 -1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 -1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 -2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 -2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 -1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 -1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 -3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 -5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 -3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 -3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 -5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 -5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 -4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 -3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 -4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 -2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 -3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 -2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 -1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 -2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 -6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 -7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 -5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 -5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 -7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 -6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 -7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 -8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 -7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 -6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 -8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 -6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 -6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 -7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 -8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 -8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 -9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 -10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 -11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 -9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 -8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 -7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 -8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 -8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 -8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 -9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 -11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.795 -12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 -13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 -12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 -12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 -13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 -7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 -7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 -6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 -6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 -5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 -4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 -4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 -4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 -4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 -4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 -3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 -4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 -5.005 -10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 -5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 -5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 -2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 -2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 -1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 -1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 -0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 0.981 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 -0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 -1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 -1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 -2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 -1.293 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 -0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 -2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 5.968 -9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.950 7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 -0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 -0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 -1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 -1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 -1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 -1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 -1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 -1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 -2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 -3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 -3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 -4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 -2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 -4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.585 -2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 -3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 -4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 -3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 -3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 -2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 -4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 -4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 -4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 -3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 -2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 -4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 -5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 -3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 -4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 -4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 -4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 -5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 -2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 -1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 -1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 -2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 -0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 -0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 -1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 -1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 -2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 -1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 -3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 -2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 -0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 -1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 -0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 -1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 -2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 -2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 -0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 -0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 -1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 -0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.342 4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.958 8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 -0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 -0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 -0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 -0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 -2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 -2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 -1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 -2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 -2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 -3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 -4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 -3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 -4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 -4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 -3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 -5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 -4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 -5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 -3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 -2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 -4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 -3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 -2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 -2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 -2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 -4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 -5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 -4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.059 -3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 -4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 -3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 -4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 -2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 -2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 -2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 -2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 -2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 -2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 -2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 -1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 -3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 -4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 -4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 -4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 -2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 -2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 -3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 -0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 -0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 -0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 -0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 1.440 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 3.100 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.605 6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 -0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 -1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 -2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 -2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 -3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 -3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 -4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 -0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 -0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 -0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 -0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 -1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 -2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 -3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 -2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 -0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 -2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.822 -2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 -3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 -5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 -6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 -5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.868 -4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 -6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 -6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 -5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 -6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 -5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 -6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 -5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 -7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 -8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 -7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 -8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 -9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 -9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.738 -10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 -11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 -9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 -8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 -8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 -7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 -10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 -11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 -10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 -7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 -7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 -6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 -6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 -5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 -7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 -6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 -4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 -3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 -8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 -8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 -9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 -10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 -10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 -11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 -9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 -10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 -9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 -9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 -10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 -9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 -10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.832 -10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 -9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 -11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.121 -11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 -11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 -9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 -9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.871 -8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 -7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 -7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 -5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 -5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 -3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 -5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 -7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 -7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 -8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 -9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 -9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 -9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 -8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 -8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 -7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 -10.669 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 -11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 -11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 -10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 -12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 -13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 -12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 -12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 -13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 -12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 -11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 -13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 -14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 -13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 -14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 -15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 -14.330 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 -16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 -13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 -12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 -13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 -14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 -13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 -14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 -13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 -13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 -13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 -11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 -11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 -11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 -11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 -9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 -8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 -8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 -9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.089 -7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 -9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 -8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 -10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 -11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 -9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 -11.184 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 -11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 -12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 -10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 -8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 -7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 -9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 -9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 -8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 -8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 -8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 -10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 -6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 -5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 -6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 -7.771 4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 -5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 -5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 -4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 -3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 -5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 -6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 -4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 -5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 -5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 -4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 -6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 -4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 -2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 -4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 -5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 -4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 -5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 -5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 -6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 -7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 -7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 -8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 -9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 -10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 -9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 -9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 -9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 -8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 -3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 -2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 -3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 -4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 -2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 -0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 -2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 -1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 -1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 -1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 -0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 -0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 -1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 -0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 -1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 -2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 -2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 -4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 -4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 -3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 -4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 4.595 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.987 4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 7.971 10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.560 7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.173 13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.974 12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 11.806 6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.673 10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.106 9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.652 13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 12.507 -1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.885 13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.706 15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 15.885 -2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 12.127 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 -0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 -1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 -0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 -0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 -0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 -1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 -2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 -0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 -0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 -1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 -0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 -2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.975 -3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 -3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 -2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 -4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 -5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 -6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 -5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 -4.216 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 -6.078 -1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 -6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 -7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 -5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 -4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 -6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 -5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 -6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 -6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 -7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 -5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 -4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 -5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 -5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 -6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 -4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 -3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 -3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 7.965 22.755 0.523 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 8.713 23.424 0.979 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 7.244 23.495 -0.449 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 6.809 24.237 -0.026 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 8.713 21.524 -0.039 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 9.397 21.173 0.751 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 9.528 21.885 -1.211 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 9.067 22.213 -2.012 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 10.915 21.789 -1.259 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 11.641 21.391 -0.329 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 11.571 22.211 -2.565 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 11.205 21.591 -3.394 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 12.662 22.098 -2.497 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 11.341 23.263 -2.785 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 7.752 20.369 -0.375 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 7.089 20.677 -1.196 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 8.520 19.213 -0.758 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 7.924 18.491 -0.970 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 6.906 20.010 0.857 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 7.581 19.657 1.652 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 5.961 18.935 0.495 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 6.118 21.227 1.373 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 5.445 21.567 0.569 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 7.072 22.337 1.631 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 5.294 20.981 2.646 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 4.547 20.207 2.434 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 4.767 21.907 2.924 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 6.155 20.564 3.718 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 6.262 21.288 4.341 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 6.122 17.687 1.262 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 5.974 17.866 2.337 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 5.093 16.657 0.759 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 5.215 16.563 -0.331 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 3.728 17.123 1.042 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 3.473 17.270 1.977 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 2.768 17.372 0.066 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 2.938 17.235 -1.162 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 1.413 17.850 0.564 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 1.521 18.793 1.118 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 0.733 18.016 -0.283 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 0.966 17.100 1.231 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 5.335 15.275 1.397 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 5.155 15.338 2.480 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 4.444 14.317 0.794 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 3.536 14.590 0.945 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 6.783 14.822 1.146 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 6.935 14.735 0.059 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 7.014 13.511 1.782 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 7.789 15.837 1.706 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 7.642 15.946 2.792 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 7.481 17.131 1.068 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 9.251 15.491 1.399 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 9.375 15.422 0.311 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 9.501 14.515 1.844 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 10.098 16.515 1.939 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 10.773 16.111 2.489 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 7.455 12.470 0.840 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 8.338 12.808 0.277 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 7.803 11.190 1.623 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 6.935 10.923 2.245 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 8.956 11.440 2.497 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 8.787 11.338 3.458 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 10.292 11.809 2.159 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 10.716 11.990 1.002 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 11.254 11.990 3.323 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 11.343 11.056 3.893 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 10.893 12.780 3.996 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 12.250 12.272 2.953 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 8.098 10.022 0.662 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 9.013 10.244 0.094 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 8.268 8.818 1.433 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 7.463 8.638 1.923 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 6.926 9.821 -0.314 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 6.029 9.568 0.271 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 7.234 8.717 -1.246 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 6.647 11.100 -1.116 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 7.544 11.379 -1.691 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 6.383 12.167 -0.132 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 5.431 11.004 -2.045 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 4.545 10.773 -1.441 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 5.584 10.189 -2.771 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 5.264 12.254 -2.727 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 5.115 12.951 -2.083 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 6.247 7.625 -1.195 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 5.228 8.020 -1.320 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 6.535 6.596 -2.300 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 7.570 6.240 -2.184 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 6.387 7.235 -3.615 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 5.518 7.623 -3.847 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 7.407 7.328 -4.559 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 8.563 6.887 -4.415 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 7.052 8.028 -5.862 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 6.738 9.063 -5.666 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 6.230 7.502 -6.368 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 7.922 8.048 -6.534 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 5.575 5.392 -2.186 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 4.562 5.722 -2.462 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 6.021 4.369 -3.097 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 6.905 4.087 -2.850 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 5.543 4.793 -0.765 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 6.494 4.274 -0.571 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 4.447 3.865 -0.695 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 4.578 3.169 -1.343 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 5.315 5.866 0.318 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 4.314 6.306 0.189 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 6.309 6.932 0.104 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 5.484 5.367 1.759 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 6.514 5.013 1.890 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 4.796 4.526 1.943 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 5.202 6.448 2.661 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 4.946 6.091 3.515 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_10.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_10.pdb new file mode 100644 index 000000000..769ce4f4f --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_10.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_10.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_10.pdb +REMARK =============================================================== +REMARK HADDOCK score: -30.5252 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 87.3479, 0, 0, 0, 0, -25.4664, -0.833583, 113.648, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.554839,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 3, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 1.04738 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 2.51581 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -23.7842 +REMARK =============================================================== +REMARK buried surface area: 787.747 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.960 6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 9.222 1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 5.456 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 2.637 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 6.897 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 -0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 -0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 0.683 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 -0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 -1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 -0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 -0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 -2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 -2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 -3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 -3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 -4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 -2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 -2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 -2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 -1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 -1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 -0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 -2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 -0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 -2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 -1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 -1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 -1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 -4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 -4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 -4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 -4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 -5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 -6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 -6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 -7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 -6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 -5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 -7.402 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 -7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 -8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 -6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 -5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 -6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 -5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 -6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 -6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 -7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 -7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.751 -8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 -5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 -3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 -5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 -6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 -4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 -5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 -5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.641 -6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 -3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.457 -3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 -2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 -2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 -1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 -0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 -1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 -1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 -2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 -2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 -3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 -3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 -2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 -3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 -3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 -4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 -4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 -4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 -5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 -7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 -7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 -7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 -6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 -7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 -3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 -4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 -2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 -2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 -1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 -0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 -1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 -1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 -1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 -2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 -2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 -2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 -1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 -2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.052 -2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 -2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 -0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 -0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 -0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 -1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 -0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 -1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 -0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 -2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 -2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 -3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 -3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.777 -3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 -4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 -5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 -3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 -3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 -3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 -3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 -3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 -2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 -4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 -2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 -2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 -1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 -1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 -0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 -0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 -0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 -0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 -0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 -1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 -1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 -2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 -1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 -3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 -1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 -0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 -0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 -2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 -2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 -3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 -4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 -4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 -4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 -5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 -5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 -5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 -5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 -5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 -5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 -5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 -5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 -2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 -3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 -2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 -2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 -2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 -1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 -3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 -4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 -3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 -5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 -0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 -0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.110 1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 7.936 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.795 12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 5.005 -10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 -0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 -2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 -1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 -3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 -3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 -3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 -0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 -1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 -0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 -0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 -1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 -0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 -0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 -0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 -0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 -0.981 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 -2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 -3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 -3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 -2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 -4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 -5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 -5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 -4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 -5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 -5.968 -9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 -5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 -5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 -4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 -6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 -6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 -7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 -8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 -9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 -10.090 -9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 -8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 -7.495 -9.740 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 -7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 -7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 -7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 -7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 -8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 -7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 -6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 -7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 -6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 -6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 -5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 -5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 -3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 -3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 -1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 -3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 -4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 -3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 -3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 -4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 -5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 -2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 -2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 -1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 -1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 -0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 -0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 -0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 -0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 -0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 -0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 -1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 -2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 -3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 -3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.585 2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 -0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 -1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 -0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 -1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 -0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 -0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 -0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 -2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 -0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 -0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 -0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 -0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 -0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 -1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 -2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 -2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 -3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 -4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 -4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 -4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 -3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 -4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 -1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 -1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 -1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 -1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 -0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 -0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 -0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 -0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 -1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 -1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 -3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 -3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 -4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 -5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 -6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 -7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 -8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 -8.584 -0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 -9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 -9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 -9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 -8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 -10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 -10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 -11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 -4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 -4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 -4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 -3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 -4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 -5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 -6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 -7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 -6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 -8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 -7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 -8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 -9.950 0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 -10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 -3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 -3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 -2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 -2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 -1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 -1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 -2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 -3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 -3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 -4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 -5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 -4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 -2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 -5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 -3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 -5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.059 3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 -1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 -1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 -0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 -0.249 -2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 -2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 -1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 -1.440 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 -2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 -3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 -4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 -4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 -3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 -4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 -5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 -4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 -4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 -5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 -4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 -5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 -3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 -3.100 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 -3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 -1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 -2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 -2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 -3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 -3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 -2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 -4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 -5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 -6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 -6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 -6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 -6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.605 -6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 -7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 -1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 -1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 -1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 -1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 -0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 -0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 -1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 -1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 -2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 -2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 -3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 -0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 5.122 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.974 12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 15.157 -3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 14.330 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 16.360 -4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 11.184 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 7.771 4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 -0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 -0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 -0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 -1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 -0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 -1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 -2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 -0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 -0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 -1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 -0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 -1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 -2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 -3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 -3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 -4.595 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 -5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 -4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 -6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 -5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 -6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 -4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 -2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 -4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 -2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 -2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 -4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 -3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 -4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 -2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 -5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 -6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 -4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 -3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 -5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 -5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 -5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 -4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 -6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 -7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 -6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 -5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 -6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 -5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.272 -4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 -3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 -4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 -7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 -8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 -7.971 10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 -7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 -9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 -8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 -8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.560 -7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 -8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 -10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 -10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 -11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 -12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 -13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 -13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 -11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 -12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.173 -13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 -12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 -11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 -12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.974 -12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 -13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 -14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 -13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 -13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 -14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 -11.806 6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 -11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 -10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 -10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 -9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 -9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 -8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 -9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 -9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 -8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 -7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 -6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 -9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 -5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 -9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 -8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 -10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 -10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 -11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 -11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 -11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 -10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 -9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 -9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 -8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 -8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 -8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 -8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 -8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 -7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 -6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 -5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 -4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 -5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 -3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 -2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 -3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 -5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 -3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 -4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 -3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 -8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 -9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 -8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 -8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.106 -9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 -9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 -11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 -10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 -9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 -10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 -8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 -7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 -7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 -6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 -8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 -8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 -8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 -7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.953 -8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 -8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 -8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 -7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 -9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 -8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 -8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 -9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 -10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 -10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 -11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 -11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 -10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 -10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 -10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.261 -10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 -12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 -12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 -12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 -13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 -14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 -14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 -13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 -12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 -12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 -12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 -13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.652 -13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 -14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 -12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 -13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 -11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 -11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 -12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 -11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 -12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 -13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 -11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 -11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 -12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 -10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 -9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 -9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 -8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 -8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 -8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 -7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 -9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 -8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 -8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 -9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 -9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 -9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 -9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 -9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 -9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 -10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 -10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 -8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 -6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 -11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 -11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 -12.507 -1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 -13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 -14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.706 -15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 -15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 -15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 -14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 -15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 -13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 -13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 -13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 -13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 -14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 -15.885 -2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 -16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 -16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 -17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 -17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 -18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 -13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 -14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 -12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 -12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 -12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 -11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 -11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 -12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 -12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 -11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 -10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 -11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 -11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 -11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 -10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 -11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 -9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 -9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 -9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 -8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 -10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 -8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 -8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 -7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 -8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 -6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 -6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 -7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 -7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 -7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 -5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 -4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 -5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 -6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 -4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 -5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 -4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 -4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 -3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 -2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 -3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 -3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 -3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 -4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 -2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 -1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 -2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 -3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 -2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 -3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 -4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 -2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 -3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 -4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 -4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 -1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 -0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 -2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 -3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 -1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 -1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 -2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 -2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 -4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 -2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 -4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 -4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 -5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 -5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 -0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 -1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 -0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 6.078 -1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -8.586 -22.003 2.923 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -9.251 -22.463 3.671 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -8.225 -22.997 1.978 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -7.772 -23.714 2.427 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -9.325 -20.786 2.318 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -9.737 -20.207 3.160 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -10.451 -21.214 1.473 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -10.253 -21.740 0.669 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -11.784 -20.920 1.739 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -12.196 -20.264 2.715 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -12.801 -21.454 0.741 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -12.604 -21.046 -0.260 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -13.818 -21.167 1.043 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -12.746 -22.551 0.691 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -8.372 -19.864 1.535 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -7.983 -20.404 0.660 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -9.091 -18.687 1.120 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -8.500 -18.110 0.631 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -7.200 -19.432 2.431 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -7.602 -18.851 3.276 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -6.278 -18.589 1.643 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -6.433 -20.648 2.979 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -6.033 -21.218 2.124 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -7.394 -21.541 3.677 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -5.283 -20.316 3.942 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -4.542 -19.711 3.406 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -4.798 -21.251 4.268 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -5.783 -19.598 5.081 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -5.796 -20.181 5.845 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -6.103 -17.220 2.157 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -5.697 -17.233 3.179 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -5.142 -16.457 1.225 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -5.536 -16.533 0.200 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -3.806 -17.069 1.262 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -3.330 -17.092 2.119 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -3.167 -17.622 0.157 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -3.639 -17.672 -0.996 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -1.785 -18.207 0.403 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -1.840 -19.015 1.146 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -1.373 -18.616 -0.530 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -1.104 -17.431 0.778 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -5.065 -14.966 1.609 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -4.613 -14.871 2.607 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -4.270 -14.270 0.629 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -3.387 -14.647 0.610 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -6.473 -14.349 1.623 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -6.895 -14.427 0.609 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -6.392 -12.929 2.016 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -7.395 -15.091 2.601 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -6.979 -15.034 3.619 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -7.400 -16.506 2.184 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -8.843 -14.586 2.588 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -9.241 -14.685 1.571 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -8.865 -13.521 2.873 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -9.618 -15.363 3.511 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -10.080 -14.774 4.113 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -6.957 -12.010 1.016 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -7.986 -12.301 0.761 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -6.953 -10.578 1.583 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -5.929 -10.343 1.913 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -7.855 -10.498 2.739 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -7.430 -10.262 3.591 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -9.264 -10.714 2.812 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -9.993 -11.023 1.851 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -9.899 -10.547 4.183 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -9.738 -9.527 4.557 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -9.456 -11.256 4.897 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -10.980 -10.734 4.127 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -7.369 -9.559 0.504 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -8.419 -9.734 0.229 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -7.206 -8.230 1.033 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -6.286 -8.092 1.269 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -6.481 -9.707 -0.744 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -5.440 -9.495 -0.453 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -6.907 -8.743 -1.779 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -6.556 -11.130 -1.312 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -7.596 -11.365 -1.588 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -6.153 -12.041 -0.224 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -5.623 -11.378 -2.504 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -4.591 -11.184 -2.189 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -5.877 -10.684 -3.322 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -5.771 -12.737 -2.938 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -5.530 -13.328 -2.221 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -5.835 -7.820 -2.188 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -4.932 -8.380 -2.469 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -6.297 -6.963 -3.377 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -7.223 -6.440 -3.092 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -6.567 -7.831 -4.532 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -5.833 -8.380 -4.880 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -7.802 -7.928 -5.166 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -8.828 -7.299 -4.843 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -7.877 -8.885 -6.346 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -7.630 -9.906 -6.024 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -7.168 -8.582 -7.129 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -8.890 -8.887 -6.772 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -5.222 -5.915 -3.742 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -4.357 -6.436 -4.179 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -5.785 -5.007 -4.708 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -6.539 -4.557 -4.320 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -4.757 -5.095 -2.522 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -5.564 -4.414 -2.216 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -3.592 -4.345 -2.905 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -3.816 -3.757 -3.631 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -4.363 -5.990 -1.330 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -3.482 -6.592 -1.602 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -5.482 -6.915 -1.080 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -4.095 -5.234 -0.022 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -5.012 -4.711 0.276 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -3.300 -4.487 -0.183 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -3.698 -6.175 0.986 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -3.191 -5.721 1.663 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_11.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_11.pdb new file mode 100644 index 000000000..2848ac0cf --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_11.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_11.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_11.pdb +REMARK =============================================================== +REMARK HADDOCK score: -27.5324 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 375.62, 0, 0, 0, 0, -24.2001, -1.15696, 400.977, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,1.00308,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 4, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 1, 0.223189 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.98917 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -23.3679 +REMARK =============================================================== +REMARK buried surface area: 817.435 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 9.979 -10.438 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 11.862 -0.387 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 9.760 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 6.003 -0.857 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.961 6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 10.464 1.783 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 9.502 2.703 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 2.636 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 6.896 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 -0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 -0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 0.682 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 -0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 -1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 -0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 -0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 -2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 -2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 -3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 -3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 -4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 -2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 -2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 -2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 -1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 -1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 -0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 -2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 -0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 -2.041 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 -1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 -1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 -1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 -4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 -4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 -4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 -4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 -5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 -6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 -6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 -7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 -6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 -5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 -7.403 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 -7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 -8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 -6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 -5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 -6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 -5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 -6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 -6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 -7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 -7.997 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.750 -8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 -5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 -3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 -5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 -6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 -4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 -5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 -5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.640 -6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 -3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.456 -3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 -2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 -2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 -1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 -0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 -1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 -1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 -2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 -2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 -3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 -3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 -2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 -3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 -3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 -4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 -4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 -4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 -5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 -7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 -7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 -7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 -6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 -7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 -3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 -4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 -2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 -2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 -1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 -0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 -1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 -1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 -1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 -2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 -2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 -2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 -1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 -2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.051 -2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 -2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 -0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 -0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 -0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 -1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 -0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 -1.044 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 -0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 -2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 -2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 -3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 -3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.777 -3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 -4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 -5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 -3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 -3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 -3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 -3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 -3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 -2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 -4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 -2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 -2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 -1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 -1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 -0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 -0.469 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 -0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 -0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 -0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 -1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 -1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 -2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 -1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 -3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 -1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 -0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 -0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 -2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 -2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 -3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 -4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 -4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 -4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 -5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 -5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 -5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 -5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 -5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 -5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 -5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 -5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 -2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 -3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 -2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 -2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 -2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 -1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 -3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 -4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 -3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 -5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 -0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 -0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 1.075 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 8.964 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 6.996 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 9.278 -3.169 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.794 12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 4.621 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 4.486 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 5.005 -10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 -0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 -2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 -1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 -3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 -3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 -3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 -0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 -1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 -0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 -0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 -1.116 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 -0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 -0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 -0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 -0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 -0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 -2.607 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 -3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 -3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 -2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 -4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 -5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 -5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 -4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 -5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 -5.968 -9.309 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 -5.212 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 -5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 -4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 -6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 -6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 -7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 -8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 -9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 -10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 -8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 -7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 -7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 -7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 -7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 -7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 -8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 -7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 -6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 -7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 -6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 -6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 -5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 -5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 -3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 -3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 -1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 -3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 -4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 -3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 -3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 -4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 -5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 -2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 -2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 -1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 -1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 -0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 -0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 -0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 -0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 -0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 -0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 -1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 -2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 -3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 -3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.584 2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 -0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 -1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 -0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 -1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 -0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 -0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 -0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 -2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 -0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 -0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 -0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 -0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 -0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 -1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 -2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 -2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 -3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 -4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 -4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 -4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 -3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 -4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 -1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 -1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 -1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 -1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 -0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 -0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 -0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 -0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 -1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 -1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 -3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 -3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 -4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 -5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 -6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 -7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 -8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 -8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 -9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 -9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 -9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 -8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 -10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 -10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 -11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 -4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 -4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 -4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 -3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 -4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 -5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 -6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 -7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 -6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 -8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 -7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 -8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 -9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 -10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 -3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 -3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 -2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 -2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 -1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 -1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 -2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 -3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 -3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 -4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 -5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 -4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 -2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 -5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 -3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 -5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.058 3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 -1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 -1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 -0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 -0.249 -2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 -2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 -1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 -1.439 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 -2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 -3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 -4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 -4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 -3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 -4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 -5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 -4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 -4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 -5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 -4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 -5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 -3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 -3.099 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 -3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 -1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 -2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 -2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 -3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 -3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 -2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 -4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 -5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 -6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 -6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 -6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 -6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.605 -6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 -7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 -1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 -1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 -1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 -1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 -0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 -0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 -1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 -1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 -2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 -2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 -3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 -0.108 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 4.889 -0.548 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 5.830 0.313 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 7.056 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.973 12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 14.331 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 9.880 6.607 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 11.183 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 7.771 4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 7.259 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 8.287 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 -0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 -0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 -0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 -1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 -0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 -1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 -2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 -0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 -0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 -1.698 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 -0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 -1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 -2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 -3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 -3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 -4.596 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 -5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 -4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 -6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 -5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 -6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 -4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 -2.964 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 -4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 -2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 -2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 -4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 -3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 -4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 -2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 -5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 -6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 -4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 -3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 -5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 -5.486 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 -5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 -4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 -6.521 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 -7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 -6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 -5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 -6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 -5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.273 -4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 -3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 -4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 -7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 -8.614 12.519 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 -7.971 10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 -7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 -9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 -8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 -8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.561 -7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 -8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 -10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 -10.273 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 -11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 -12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 -13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 -13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 -11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 -12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.174 -13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 -12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 -11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 -12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.975 -12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 -13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 -14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 -13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 -13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 -14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 -11.806 6.340 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 -11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 -10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 -10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 -9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 -9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 -8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 -9.020 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 -9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 -8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 -7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 -6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 -9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 -5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 -9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 -8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 -10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 -10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 -11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 -11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 -11.610 0.662 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 -10.145 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 -9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 -9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 -8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 -8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 -8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 -8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 -8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 -7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 -6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 -5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 -4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 -5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 -3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 -2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 -3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 -5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 -3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 -4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 -3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 -8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 -9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 -8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 -8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.107 -9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 -9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 -11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 -10.205 -4.819 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 -9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 -10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 -8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 -7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 -7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 -6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 -8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 -8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 -8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 -7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.952 -8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 -8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 -8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 -7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 -9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 -8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 -8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 -9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 -10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 -10.853 1.518 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 -11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 -11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 -10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 -10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 -10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.260 -10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 -12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 -12.992 -3.062 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 -12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 -13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 -14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 -14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 -13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 -12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 -12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 -12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 -13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.653 -13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 -14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 -12.736 -4.471 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 -13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 -11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 -11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 -12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 -11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 -12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 -13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 -11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 -11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 -12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 -10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 -9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 -9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 -8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 -8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 -8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 -7.651 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 -9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 -8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 -8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 -9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 -9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 -9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 -9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 -9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 -9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 -10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 -10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 -8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 -6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 -11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 -11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 -12.507 -1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 -13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 -14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.705 -15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 -15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 -15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 -14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 -15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 -13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 -13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 -13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 -13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 -14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 -15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 -16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 -16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 -17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 -17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 -18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 -13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 -14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 -12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 -12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 -12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 -11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 -11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 -12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 -12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 -11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 -10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 -11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 -11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 -11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 -10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 -11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 -9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 -9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 -9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 -8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 -10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 -8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 -8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 -7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 -8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 -6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 -6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 -7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 -7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 -7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 -5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 -4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 -5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 -6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 -4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 -5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 -4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 -4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 -3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 -2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 -3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 -3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 -3.777 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 -4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 -2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 -1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 -2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 -3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 -2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 -3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 -4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 -2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 -3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 -4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 -4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 -1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 -0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 -2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 -3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 -1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 -1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 -2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 -2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 -4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 -2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 -4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 -4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 -5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 -5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 -0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 -1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 -0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 6.078 -1.197 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -7.879 -22.750 1.318 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -8.608 -23.402 1.826 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -7.195 -23.524 0.346 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -6.742 -24.251 0.779 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -8.650 -21.539 0.741 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -9.303 -21.160 1.544 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -9.508 -21.942 -0.385 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -9.078 -22.299 -1.190 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -10.896 -21.849 -0.384 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -11.587 -21.417 0.559 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -11.601 -22.317 -1.647 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -11.267 -21.727 -2.511 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -12.689 -22.201 -1.541 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -11.379 -23.376 -1.838 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -7.703 -20.397 0.327 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -7.072 -20.735 -0.506 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -8.487 -19.256 -0.067 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -7.900 -18.542 -0.327 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -6.812 -19.994 1.513 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -7.456 -19.613 2.320 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -5.883 -18.933 1.076 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -6.003 -21.192 2.041 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -5.360 -21.561 1.225 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -6.945 -22.292 2.375 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -5.132 -20.901 3.273 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -4.394 -20.135 3.005 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -4.592 -21.816 3.563 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -5.951 -20.445 4.361 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -6.033 -21.146 5.013 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -6.016 -17.659 1.804 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -5.827 -17.799 2.878 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -5.009 -16.647 1.225 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -5.171 -16.593 0.138 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -3.633 -17.103 1.472 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -3.342 -17.217 2.401 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -2.710 -17.387 0.470 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -2.927 -17.294 -0.754 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -1.336 -17.847 0.932 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -1.422 -18.769 1.523 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -0.689 -18.043 0.066 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -0.866 -17.073 1.555 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -5.228 -15.243 1.822 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -5.006 -15.268 2.899 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -4.362 -14.308 1.151 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -3.448 -14.575 1.277 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -6.685 -14.799 1.610 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -6.878 -14.751 0.527 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -6.892 -13.466 2.207 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -7.667 -15.794 2.245 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -7.478 -15.863 3.327 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -7.382 -17.110 1.642 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -9.141 -15.459 1.981 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -9.306 -15.429 0.898 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -9.374 -14.467 2.400 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -9.964 -16.463 2.590 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -10.619 -16.039 3.151 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -7.371 -12.460 1.246 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -8.274 -12.818 0.730 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -7.690 -11.153 1.995 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -6.799 -10.864 2.574 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -8.809 -11.371 2.921 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -8.603 -11.235 3.871 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -10.156 -11.752 2.648 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -10.624 -11.974 1.515 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -11.073 -11.891 3.853 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -11.141 -10.937 4.393 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -10.685 -12.657 4.540 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -12.082 -12.186 3.533 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -8.023 -10.020 1.005 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -8.959 -10.262 0.481 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -8.166 -8.789 1.739 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -7.342 -8.591 2.191 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -6.890 -9.855 -0.022 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -5.971 -9.580 0.519 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -7.234 -8.784 -0.980 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -6.640 -11.161 -0.788 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -7.558 -11.461 -1.317 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -6.337 -12.192 0.224 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -5.460 -11.098 -1.765 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -4.552 -10.846 -1.204 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -5.642 -10.310 -2.513 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -5.318 -12.373 -2.408 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -5.143 -13.046 -1.745 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -6.248 -7.691 -1.007 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -5.234 -8.091 -1.156 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -6.579 -6.703 -2.136 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -7.609 -6.343 -1.993 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -6.481 -7.388 -3.432 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -5.620 -7.785 -3.682 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -7.535 -7.515 -4.332 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -8.686 -7.069 -4.160 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -7.231 -8.261 -5.622 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -6.907 -9.289 -5.400 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -6.429 -7.754 -6.177 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -8.125 -8.305 -6.259 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -5.617 -5.495 -2.102 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -4.615 -5.835 -2.404 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -6.099 -4.506 -3.031 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -6.973 -4.215 -2.761 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -5.532 -4.846 -0.705 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -6.475 -4.320 -0.494 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -4.435 -3.916 -0.711 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -4.592 -3.243 -1.378 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -5.261 -5.879 0.406 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -4.265 -6.324 0.255 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -6.261 -6.952 0.268 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -5.375 -5.329 1.834 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -6.400 -4.970 1.991 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -4.682 -4.481 1.960 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -5.057 -6.376 2.762 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -4.770 -5.989 3.592 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_12.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_12.pdb new file mode 100644 index 000000000..c0d995264 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_12.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_12.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_12.pdb +REMARK =============================================================== +REMARK HADDOCK score: -28.454 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 53.2413, 0, 0, 0, 0, -19.5564, 0.695116, 72.1026, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.424566,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 3, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 0.829531 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: -1.36274 +REMARK Internal energy free molecules: 3903.29 +REMARK Internal energy complex: 3903.29 +REMARK Binding energy: -20.224 +REMARK =============================================================== +REMARK buried surface area: 895.095 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.960 6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 9.502 2.703 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 2.636 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 6.896 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 -0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 -0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 0.682 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 -0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 -1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 -0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 -0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 -2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 -2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 -3.280 10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 -3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 -4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 -2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 -2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 -2.628 11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 -1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 -1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 -0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 -2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 -0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 -2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 -1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 -1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 -1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 -4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 -4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 -4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 -4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 -5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 -6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 -6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 -7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 -6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 -5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 -7.403 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 -7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 -8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 -6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 -5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 -6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 -5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 -6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 -6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 -7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 -7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.751 -8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 -5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 -3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 -5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 -6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 -4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 -5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 -5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.641 -6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 -3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.457 -3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 -2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 -2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 -1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 -0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 -1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 -1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 -2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 -2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 -3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 -3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 -2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 -3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 -3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 -4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 -4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 -4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 -5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 -7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 -7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 -7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 -6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 -7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 -3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 -4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 -2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 -2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 -1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 -0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 -1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 -1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 -1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 -2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 -2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 -2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 -1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 -2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.052 -2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 -2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 -0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 -0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 -0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 -1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 -0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 -1.044 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 -0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 -2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 -2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 -3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 -3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.778 -3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 -4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 -5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 -3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 -3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 -3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 -3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 -3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 -2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 -4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 -2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 -2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 -1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 -1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 -0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 -0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 -0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 -0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 -0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 -1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 -1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 -2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 -1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 -3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 -1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 -0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 -0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 -2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 -2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 -3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 -4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 -4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 -4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 -5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 -5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 -5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 -5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 -5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 -5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 -5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 -5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 -2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 -3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 -2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 -2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 -2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 -1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 -3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 -4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 -3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 -5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 -0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 -0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.795 12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 5.005 -10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 -0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 -2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 -1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 -3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 -3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 -3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 -0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 -1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 -0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 -0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 -1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 -0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 -0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 -0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 -0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 -0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 -2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 -3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 -3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 -2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 -4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 -5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 -5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 -4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 -5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 -5.968 -9.309 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 -5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 -5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 -4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 -6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 -6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 -7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 -8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 -9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 -10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 -8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 -7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 -7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 -7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 -7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 -7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 -8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 -7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 -6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 -7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 -6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 -6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 -5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 -5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 -3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 -3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 -1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 -3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 -4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 -3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 -3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 -4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 -5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 -2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 -2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 -1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 -1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 -0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 -0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 -0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 -0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 -0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 -0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 -1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 -2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 -3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 -3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.585 2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 -0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 -1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 -0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 -1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 -0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 -0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 -0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 -2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 -0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 -0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 -0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 -0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 -0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 -1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 -2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 -2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 -3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 -4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 -4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 -4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 -3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 -4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 -1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 -1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 -1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 -1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 -0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 -0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 -0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 -0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 -1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 -1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 -3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 -3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 -4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 -5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 -6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 -7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 -8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 -8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 -9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 -9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 -9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 -8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 -10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 -10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 -11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 -4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 -4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 -4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 -3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 -4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 -5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 -6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 -7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 -6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 -8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 -7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 -8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 -9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 -10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 -3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 -3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 -2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 -2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 -1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 -1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 -2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 -3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 -3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 -4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 -5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 -4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 -2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 -5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 -3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 -5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.453 4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.059 3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 -1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 -1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 -0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 -0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 -2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 -1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 -1.440 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 -2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 -3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 -4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 -4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 -3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 -4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 -5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 -4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 -4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 -5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 -4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 -5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 -3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 -3.100 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 -3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 -1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 -2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 -2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 -3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 -3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 -2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 -4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 -5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 -6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 -6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 -6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 -6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.606 -6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 -7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 -1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 -1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 -1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 -1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 -0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 -0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 -1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 -1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 -2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 -2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 -3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 -0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.822 2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.868 4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.738 10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.832 10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.121 11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.871 8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 10.669 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.974 12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 14.330 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 11.183 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 7.771 4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 -0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 -0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 -0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 -1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 -0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 -1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 -2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 -0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 -0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 -1.698 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 -0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 -1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 -2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 -3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 -3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 -4.596 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 -5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 -4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 -6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 -5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 -6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 -4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 -2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 -4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 -2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 -2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 -4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 -3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 -4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 -2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 -5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 -6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 -4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 -3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 -5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 -5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 -5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 -4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 -6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 -7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 -6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 -5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 -6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 -5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.273 -4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 -3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 -4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 -7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 -8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 -7.971 10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 -7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 -9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 -8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 -8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.561 -7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 -8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 -10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 -10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 -11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 -12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 -13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 -13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 -11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 -12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.173 -13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 -12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 -11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 -12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.974 -12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 -13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 -14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 -13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 -13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 -14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 -11.806 6.340 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 -11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 -10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 -10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 -9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 -9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 -8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 -9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 -9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 -8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 -7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 -6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 -9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 -5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 -9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 -8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 -10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 -10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 -11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 -11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 -11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 -10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 -9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 -9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 -8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 -8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 -8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 -8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 -8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 -7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 -6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 -5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 -4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 -5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 -3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 -2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 -3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 -5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 -3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 -4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 -3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 -8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 -9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 -8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 -8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.106 -9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 -9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 -11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 -10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 -9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 -10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 -8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 -7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 -7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 -6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 -8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 -8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 -8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 -7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.953 -8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 -8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 -8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 -7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 -9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 -8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 -8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 -9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 -10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 -10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 -11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 -11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 -10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 -10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 -10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.261 -10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 -12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 -12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 -12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 -13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 -14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 -14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 -13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 -12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 -12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 -12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 -13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.652 -13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 -14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 -12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 -13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 -11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 -11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 -12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 -11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 -12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 -13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 -11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 -11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 -12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 -10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 -9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 -9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 -8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 -8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 -8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 -7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 -9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 -8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 -8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 -9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 -9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 -9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 -9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 -9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 -9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 -10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 -10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 -8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 -6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 -11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 -11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 -12.507 -1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.885 -13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 -14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.706 -15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 -15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 -15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 -14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 -15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 -13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 -13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 -13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 -13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 -14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 -15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 -16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 -16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 -17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 -17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 -18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 -13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 -14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 -12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 -12.127 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 -12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 -11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 -11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 -12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 -12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 -11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 -10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 -11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 -11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 -11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 -10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 -11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 -9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 -9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 -9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 -8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 -10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 -8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 -8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 -7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 -8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 -6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 -6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 -7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 -7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 -7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 -5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 -4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 -5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 -6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 -4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 -5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 -4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 -4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 -3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 -2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 -3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 -3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 -3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 -4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 -2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 -1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 -2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 -3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 -2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 -3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 -4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 -2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 -3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 -4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 -4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 -1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 -0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 -2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 -3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 -1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 -1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 -2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 -2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 -4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 -2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 -4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 -4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 -5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 -5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 -0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 -1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 -0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 6.078 -1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -11.257 -16.765 10.043 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -10.968 -17.738 10.471 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -11.933 -16.023 11.045 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -12.714 -16.505 11.326 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -9.976 -16.087 9.503 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -9.436 -16.843 8.910 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -9.093 -15.665 10.603 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -9.425 -14.985 11.227 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -7.815 -16.168 10.817 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -7.254 -17.032 10.115 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -7.062 -15.601 12.011 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -6.936 -14.515 11.902 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -6.068 -16.064 12.089 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -7.615 -15.800 12.940 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -10.298 -14.902 8.574 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -10.795 -14.112 9.154 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -9.074 -14.408 8.000 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -9.270 -13.668 7.420 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -11.224 -15.360 7.436 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -10.693 -16.115 6.836 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -11.555 -14.196 6.589 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -12.524 -15.978 7.982 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -13.046 -15.211 8.577 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -12.171 -17.078 8.917 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -13.484 -16.527 6.916 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -13.795 -15.700 6.267 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -14.380 -16.937 7.409 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -12.834 -17.551 6.146 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -13.177 -18.410 6.404 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -11.128 -14.314 5.184 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -11.602 -15.181 4.701 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -11.515 -13.025 4.436 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -11.093 -12.173 4.991 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -12.978 -12.881 4.395 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -13.499 -13.578 3.944 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -13.676 -11.817 4.957 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -13.159 -10.857 5.563 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -15.189 -11.853 4.808 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -15.598 -12.756 5.281 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -15.640 -10.971 5.284 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -15.466 -11.857 3.744 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -10.931 -13.015 3.009 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -11.392 -13.823 2.422 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -11.198 -11.736 2.402 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -12.147 -11.594 2.365 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -9.408 -13.224 3.059 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -8.963 -12.390 3.624 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -8.861 -13.239 1.689 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -9.051 -14.542 3.759 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -9.500 -15.386 3.214 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -9.659 -14.485 5.102 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -7.542 -14.761 3.929 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -7.128 -13.923 4.504 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -7.058 -14.782 2.940 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -7.324 -16.000 4.617 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -6.710 -16.539 4.113 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -7.828 -12.217 1.457 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -7.032 -12.294 2.212 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -7.227 -12.411 0.053 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -8.053 -12.418 -0.675 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -6.523 -13.699 -0.013 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -6.880 -14.341 -0.662 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -5.395 -14.159 0.728 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -4.793 -13.504 1.601 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -4.908 -15.564 0.410 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -4.615 -15.635 -0.646 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -5.705 -16.296 0.604 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -4.039 -15.817 1.033 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -6.270 -11.256 -0.299 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -5.399 -11.292 0.371 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -5.852 -11.400 -1.669 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -6.622 -11.368 -2.242 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -6.983 -9.901 -0.140 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -7.831 -9.873 -0.843 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -6.047 -8.803 -0.455 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -7.518 -9.720 1.287 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -6.683 -9.768 2.004 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -8.414 -10.863 1.550 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -8.323 -8.432 1.495 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -9.173 -8.433 0.803 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -7.688 -7.560 1.270 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -8.778 -8.380 2.854 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -9.343 -9.136 3.029 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -6.514 -7.941 -1.553 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -7.538 -7.590 -1.358 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -5.580 -6.730 -1.714 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -4.555 -7.099 -1.869 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -5.622 -5.914 -0.493 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -6.484 -5.538 -0.216 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -4.513 -5.639 0.303 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -3.354 -6.043 0.086 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -4.764 -4.773 1.527 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -5.492 -5.257 2.194 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -5.161 -3.793 1.227 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -3.829 -4.617 2.083 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -5.997 -5.880 -2.934 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -6.952 -5.382 -2.706 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -4.975 -4.892 -3.167 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -4.146 -5.333 -3.365 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -6.157 -6.722 -4.216 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -5.164 -7.045 -4.562 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -6.790 -5.902 -5.213 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -6.240 -5.135 -5.390 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -7.049 -7.960 -3.996 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -8.073 -7.633 -3.759 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -6.524 -8.685 -2.826 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -7.076 -8.947 -5.170 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -6.059 -9.326 -5.333 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -7.408 -8.428 -6.083 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -7.972 -10.022 -4.853 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -8.279 -10.430 -5.666 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_13.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_13.pdb new file mode 100644 index 000000000..16f562ccb --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_13.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_13.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_13.pdb +REMARK =============================================================== +REMARK HADDOCK score: -5.96736 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 552.144, 0, 0, 0, 0, -2.13757, 3.481282E-02, 554.247, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,1.4993,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 4, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 0.690674 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: -0.486318 +REMARK Internal energy free molecules: 3903.29 +REMARK Internal energy complex: 3903.29 +REMARK Binding energy: -2.58907 +REMARK =============================================================== +REMARK buried surface area: 892.076 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 14.513 4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 9.978 10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.122 11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 9.854 3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 8.901 6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.755 2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 8.898 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 7.917 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.961 6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 9.222 -1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.938 11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 8.524 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.865 5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 5.456 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 2.637 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 8.165 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 6.897 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 5.338 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 2.679 -8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 -0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 -0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 0.683 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 -0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 -1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 -0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 -0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 -2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 -2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 -3.280 -10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 -3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 -4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 -2.602 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 -2.004 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 -2.628 -11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 -1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 -1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 -0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 -2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 -0.450 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 -2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 -1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 -1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 -1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 -4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 -4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 -4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 -4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 -5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 -6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 -6.897 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 -7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 -6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 -5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 -7.402 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 -7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 -8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 -6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 -5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 -6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 -5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 -6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 -6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 -7.972 -6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 -7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.750 -8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 -5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 -3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 -5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 -6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 -4.408 -6.376 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 -5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 -5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 -6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 -3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.457 -3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 -2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 -2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 -1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 -0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 -1.684 -2.745 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 -1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 -2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 -2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 -3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 -3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 -2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 -3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 -3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 -4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 -4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 -4.911 -1.209 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 -5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 -7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 -7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 -7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 -6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 -7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 -3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 -4.199 0.170 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 -2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 -2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 -1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 -0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 -1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 -1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 -1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 -2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 -2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 -2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 -1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 -2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.051 -2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 -2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 -0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 -0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 -0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 -1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 -0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 -1.045 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 -0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 -2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 -2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 -3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 -3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.778 -3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 -4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 -5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 -3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 -3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 -3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 -3.871 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 -3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 -2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 -4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 -2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 -2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 -1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 -1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 0.677 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 -0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 -0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 -0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 -0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 -0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 -1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 -1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 -2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 -1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 -3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 -1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 -0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 -0.426 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 -2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 -2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 -3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 -4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 -4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 -4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 -5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 -5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 -5.231 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 -5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 -5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 -5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 -5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 -5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 -2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 -3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 -2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 -2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 -2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 -1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 -3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 -4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 -3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 -5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 -0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 -0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 2.995 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 3.974 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 4.301 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 7.936 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 7.852 4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.794 12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 12.149 7.456 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 5.005 10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 2.424 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 1.362 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 -0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 -2.005 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 -1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 -3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 -3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 -3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 -0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 -1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 -0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 -0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 -1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 -0.262 10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 -0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 -0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 -0.288 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 -0.981 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 1.293 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 -2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 -3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 -3.343 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 -2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 -4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 -5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 -5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 -4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 -5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 -5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 -5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 -5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 -4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 -6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 -6.995 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.951 -7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 -8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 -9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 -10.090 9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 -8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 -7.495 9.740 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 -7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 -7.466 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 -7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 -7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 -8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 -7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 -6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 -7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 -6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 -6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 -5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 -5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 -3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 -3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 -1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 -3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 -4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 -3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 -3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 -4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 -5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 -2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 -2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 -1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 -1.194 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 -0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 -0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 -0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 -0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 -0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 -0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 -1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 -2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 -3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 -3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.585 2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 4.888 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 2.707 -1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 -0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 -1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 -0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 -1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 -0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 -0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 2.006 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 -0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 -2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 -0.165 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 -0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 -0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 -0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 -0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 -1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 -2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 -2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 -3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 -4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 -4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 -4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 -3.855 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.343 -4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 -1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 -1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 -1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 -1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 -0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 -0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.873 -0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 -0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 -1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 -1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 -3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 -3.493 0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 -4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 -5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 -6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 -7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 -8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 -8.584 0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 -9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 -9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 -9.907 -1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 -8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 -10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 -10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 -11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 -4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 -4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 -4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 -3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 -4.244 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 -5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 -6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 -7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 -6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.959 -8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 -7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 -8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 -9.950 -0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 -10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 -3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 -3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 -2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 -2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 -1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 -1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 -2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 -3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 -3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 -4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 -5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 -4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 -2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 -5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 -3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.365 -5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 2.184 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.453 4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.059 3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 3.810 1.887 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 -1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 -1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 -0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 -0.249 2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 -2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 -1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 -1.439 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 -2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 -3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 -4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 -4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 -3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 -4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 -5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 -4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 -4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.742 -5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 -4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 -5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.318 -3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 -3.099 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 -3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 -1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 -2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 -2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 -3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 -3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 -2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 -4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 -5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 -6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 -6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 -6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 -6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.606 -6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 -7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 -1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 -1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 -1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 -1.289 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 0.121 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 -0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 -0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 -1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 -1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 -2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 -2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 -3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 -0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 0.589 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.822 2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 5.266 -8.746 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 6.324 -9.404 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.868 4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 5.122 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 5.123 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 7.415 -4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.738 10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 11.727 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 4.889 0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 10.035 -1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 5.830 -0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 8.863 1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 10.669 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 12.099 -1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 12.599 -1.985 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.973 12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 15.157 3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 16.360 4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 9.768 -0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 11.184 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 9.906 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 5.893 -6.211 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 7.771 -4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 4.781 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 4.982 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 8.288 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 3.266 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 -0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 -0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 -0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 -1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 -0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 -1.361 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 -2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 -0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 -0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 -1.697 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 -0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 -1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 -2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 -3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 -3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 -4.595 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 -5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 -4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 -6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 -5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 -6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 -4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 -2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.988 -4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 -2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 -2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 -4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 -3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 -4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 -2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 -5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 -6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 -4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 -3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 -5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 -5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 -5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 -4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 -6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 -7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 -6.046 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 -5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 -6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 -5.673 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 -4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 -3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 -4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 -7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.575 -8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 -7.971 -10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 -7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 -9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 -8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 -8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.561 -7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 -8.474 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 -10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 -10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 -11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 -12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 -13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 -13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 -11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 -12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.174 -13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 -12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 -11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 -12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.975 -12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 -13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 -14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 -13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 -13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 -14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 -11.806 -6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 -11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 -10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 -10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 -9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 -9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 -8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 -9.019 -5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 -9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 -8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 -7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 -6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 -9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 -5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 -9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 -8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 -10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 -10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 -11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 -11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 -11.610 -0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 -10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 -9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 -9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 -8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 -8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 -8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 -8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 -8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 -7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 -6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 -5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 -4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 -5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 -3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 -2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 -3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 -5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 -3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 -4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 -3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 -8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 -9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 -8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 -8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.107 -9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 -9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 -11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 -10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 -9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 -10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 -8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 -7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 -7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 -6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 -8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 -8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 -8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 -7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 -8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 -8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 -8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 -7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 -9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 -8.561 -0.538 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 -8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 -9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 -10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 -10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 -11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 -11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 -10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 -10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 -10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 -10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 -12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 -12.992 3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 -12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 -13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 -14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 -14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 -13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 -12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 -12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 -12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 -13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.653 -13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 -14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 -12.736 4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 -13.582 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 -11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 -11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 -12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 -11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 -12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 -13.529 8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 -11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 -11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 -12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 -10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 -9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 -9.867 7.319 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 -8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 -8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 -8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 -7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 -9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 -8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 -8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 -9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 -9.606 6.221 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 -9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 -9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 -9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 -9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 -10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 -10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 -8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 -6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 -11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 -11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 -12.507 1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.884 -13.322 1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 -14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.705 -15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 -15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 -15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 -14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 -15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 -13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 -13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 -13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 -13.298 0.548 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 -14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 -15.885 2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 -16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 -16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 -17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 -17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 -18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 -13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 -14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 -12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 -12.128 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 -12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 -11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 -11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 -12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 -12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 -11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 -10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 -11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 -11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 -11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 -10.784 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 -11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 -9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 -9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 -9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 -8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 -10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 -8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 -8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 -7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 -8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 -6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 -6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 -7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 -7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 -7.730 3.329 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 -5.386 2.473 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 -4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 -5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 -6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 -4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 -5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 -4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 -4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 -3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 -2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 -3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 -3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 -3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 -4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 -2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 -1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 -2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 -3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 -2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 -3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 -4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 -2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 -3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 -4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 -4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 -1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 -0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 -2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 -3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 -1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 -1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 -2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 -2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 -4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 -2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 -4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 -4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 -5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 -5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.975 -0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 -1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 -0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 2.260 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.976 3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 7.026 -10.033 -0.884 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 7.455 -9.597 0.033 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 5.687 -10.414 -0.609 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 5.679 -11.061 0.099 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 7.172 -8.989 -2.016 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 8.209 -8.619 -1.982 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 6.277 -7.840 -1.800 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 5.310 -7.999 -1.806 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 6.715 -6.537 -1.586 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 7.907 -6.175 -1.550 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 5.630 -5.490 -1.383 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 4.978 -5.440 -2.266 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 6.081 -4.501 -1.224 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 5.016 -5.741 -0.507 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 6.939 -9.609 -3.406 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 5.895 -9.944 -3.483 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 7.226 -8.624 -4.416 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 7.081 -9.007 -5.284 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 7.877 -10.810 -3.612 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 8.917 -10.450 -3.581 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 7.600 -11.415 -4.930 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 7.681 -11.871 -2.515 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 6.638 -12.225 -2.560 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 7.857 -11.223 -1.189 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 8.626 -13.080 -2.599 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 8.449 -13.596 -3.550 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 8.399 -13.779 -1.778 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 9.993 -12.647 -2.513 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 10.343 -12.869 -1.647 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 8.742 -11.411 -5.862 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 9.589 -11.974 -5.446 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 8.299 -12.045 -7.194 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 7.401 -11.511 -7.540 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 7.955 -13.460 -6.994 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 8.655 -14.066 -6.669 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 6.696 -14.002 -7.235 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 5.706 -13.366 -7.647 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 6.543 -15.491 -6.964 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 6.762 -15.711 -5.910 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 5.516 -15.814 -7.186 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 7.236 -16.066 -7.595 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 9.396 -11.902 -8.268 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 10.278 -12.485 -7.966 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 8.884 -12.380 -9.527 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 8.635 -13.303 -9.439 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 9.789 -10.424 -8.430 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 8.902 -9.864 -8.762 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 10.857 -10.300 -9.440 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 10.281 -9.832 -7.101 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 11.161 -10.390 -6.749 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 9.191 -10.025 -6.125 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 10.595 -8.332 -7.174 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 9.692 -7.799 -7.495 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 11.390 -8.157 -7.916 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 11.014 -7.879 -5.879 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 11.853 -7.420 -5.960 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 10.504 -9.416 -10.562 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 10.180 -8.432 -10.192 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 11.730 -9.244 -11.478 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 12.089 -10.245 -11.763 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 12.799 -8.544 -10.752 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 13.630 -9.051 -10.634 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 12.810 -7.233 -10.190 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 11.861 -6.427 -10.228 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 14.096 -6.810 -9.496 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 14.937 -6.835 -10.203 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 14.318 -7.490 -8.661 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 13.998 -5.789 -9.102 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 11.355 -8.472 -12.758 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 11.075 -7.443 -12.490 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 12.488 -8.466 -13.646 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 12.721 -9.370 -13.870 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 10.174 -9.156 -13.469 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 10.486 -10.172 -13.758 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 9.808 -8.392 -14.679 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 8.953 -9.258 -12.544 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 8.642 -8.250 -12.228 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 9.393 -9.998 -11.345 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 7.767 -10.013 -13.155 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 8.091 -11.027 -13.414 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 7.438 -9.502 -14.074 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 6.698 -10.054 -12.199 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 6.994 -10.517 -11.410 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 9.890 -9.189 -15.914 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 9.320 -10.123 -15.808 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 9.338 -8.386 -17.104 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 9.893 -7.438 -17.171 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 7.914 -8.099 -16.883 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 7.300 -8.856 -16.777 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 7.376 -6.817 -16.811 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 8.023 -5.758 -16.924 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 5.876 -6.732 -16.577 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 5.610 -7.216 -15.627 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 5.332 -7.234 -17.390 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 5.555 -5.681 -16.537 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 9.522 -9.170 -18.421 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 8.841 -10.035 -18.415 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 9.193 -8.296 -19.518 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 9.790 -7.545 -19.517 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 10.970 -9.666 -18.618 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 11.619 -8.806 -18.837 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 10.980 -10.590 -19.719 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 10.675 -10.144 -20.512 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 11.506 -10.411 -17.380 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 10.924 -11.333 -17.228 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 11.290 -9.542 -16.209 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 13.003 -10.743 -17.431 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 13.569 -9.805 -17.494 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 13.219 -11.345 -18.328 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 13.359 -11.469 -16.245 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 14.151 -11.985 -16.414 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_14.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_14.pdb new file mode 100644 index 000000000..c453a0b9f --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_14.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_14.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_14.pdb +REMARK =============================================================== +REMARK HADDOCK score: -19.6835 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 214.047, 0, 0, 0, 0, -13.9489, -2.39336, 230.389, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.736902,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 5, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 1, 0.386797 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 2.42409 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -13.9181 +REMARK =============================================================== +REMARK buried surface area: 806.923 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 8.732 -10.040 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 9.979 -10.438 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.122 11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 11.862 -0.387 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 6.003 -0.857 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.961 6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 10.464 1.783 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 9.502 2.703 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 2.636 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 6.896 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 -0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 -0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 0.682 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 -0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 -1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 -0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 -0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 -2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 -2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 -3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 -3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 -4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 -2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 -2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 -2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 -1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 -1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 -0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 -2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 -0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 -2.041 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 -1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 -1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 -1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 -4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 -4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 -4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 -4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 -5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 -6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 -6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 -7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 -6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 -5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 -7.403 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 -7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 -8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 -6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 -5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 -6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 -5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 -6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 -6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 -7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 -7.997 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.750 -8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 -5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 -3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 -5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 -6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 -4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 -5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 -5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.640 -6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 -3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.456 -3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 -2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 -2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 -1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 -0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 -1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 -1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 -2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 -2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 -3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 -3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 -2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 -3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 -3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 -4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 -4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 -4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 -5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 -7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 -7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 -7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 -6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 -7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 -3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 -4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 -2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 -2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 -1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 -0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 -1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 -1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 -1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 -2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 -2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 -2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 -1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 -2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.051 -2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 -2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 -0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 -0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 -0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 -1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 -0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 -1.044 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 -0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 -2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 -2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 -3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 -3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.777 -3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 -4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 -5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 -3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 -3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 -3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 -3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 -3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 -2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 -4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 -2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 -2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 -1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 -1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 -0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 -0.469 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 -0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 -0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 -0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 -1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 -1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 -2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 -1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 -3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 -1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 -0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 -0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 -2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 -2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 -3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 -4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 -4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 -4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 -5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 -5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 -5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 -5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 -5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 -5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 -5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 -5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 -2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 -3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 -2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 -2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 -2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 -1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 -3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 -4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 -3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 -5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 -0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 -0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 1.075 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 8.964 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 6.996 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 9.278 -3.169 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.794 12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 4.621 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 4.486 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 5.005 -10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 -0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 -2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 -1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 -3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 -3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 -3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 -0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 -1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 -0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 -0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 -1.116 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 -0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 -0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 -0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 -0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 -0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 -2.607 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 -3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 -3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 -2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 -4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 -5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 -5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 -4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 -5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 -5.968 -9.309 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 -5.212 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 -5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 -4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 -6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 -6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 -7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 -8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 -9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 -10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 -8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 -7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 -7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 -7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 -7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 -7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 -8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 -7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 -6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 -7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 -6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 -6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 -5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 -5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 -3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 -3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 -1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 -3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 -4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 -3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 -3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 -4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 -5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 -2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 -2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 -1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 -1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 -0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 -0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 -0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 -0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 -0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 -0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 -1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 -2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 -3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 -3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.584 2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 -0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 -1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 -0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 -1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 -0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 -0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 -0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 -2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 -0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 -0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 -0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 -0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 -0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 -1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 -2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 -2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 -3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 -4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 -4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 -4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 -3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 -4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 -1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 -1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 -1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 -1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 -0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 -0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 -0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 -0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 -1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 -1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 -3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 -3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 -4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 -5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 -6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 -7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 -8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 -8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 -9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 -9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 -9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 -8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 -10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 -10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 -11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 -4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 -4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 -4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 -3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 -4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 -5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 -6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 -7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 -6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.959 -8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 -7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 -8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 -9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 -10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 -3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 -3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 -2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 -2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 -1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 -1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 -2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 -3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 -3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 -4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 -5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 -4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 -2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 -5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 -3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 -5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.059 3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 -1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 -1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 -0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 -0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 -2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 -1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 -1.439 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 -2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 -3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 -4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 -4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 -3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 -4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 -5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 -4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 -4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 -5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 -4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 -5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 -3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 -3.099 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 -3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 -1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 -2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 -2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 -3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 -3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 -2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 -4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 -5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 -6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 -6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 -6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 -6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.606 -6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 -7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 -1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 -1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 -1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 -1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 -0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 -0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 -1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 -1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 -2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 -2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 -3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 -0.108 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 4.889 -0.548 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 5.830 0.313 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 7.056 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.973 12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 14.331 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 14.370 2.907 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 9.880 6.607 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 11.183 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 7.771 4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 7.259 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 8.287 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 -0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 -0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 -0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 -1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 -0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 -1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 -2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 -0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 -0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 -1.698 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 -0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 -1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 -2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 -3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 -3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 -4.596 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 -5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 -4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 -6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 -5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 -6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 -4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 -2.964 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.988 -4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 -2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 -2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 -4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 -3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 -4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 -2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 -5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 -6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 -4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 -3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 -5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 -5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 -5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 -4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 -6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 -7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 -6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 -5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 -6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 -5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.273 -4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 -3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 -4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 -7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 -8.614 12.519 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 -7.971 10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 -7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 -9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 -8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 -8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.561 -7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 -8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 -10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 -10.273 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 -11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 -12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 -13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 -13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 -11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 -12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.174 -13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 -12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 -11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 -12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.975 -12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 -13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 -14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 -13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 -13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 -14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 -11.806 6.340 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 -11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 -10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 -10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 -9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 -9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 -8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 -9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 -9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 -8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 -7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 -6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 -9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 -5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 -9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 -8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 -10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 -10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 -11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 -11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 -11.610 0.662 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 -10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 -9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 -9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 -8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 -8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 -8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 -8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 -8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 -7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 -6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 -5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 -4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 -5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 -3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 -2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 -3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 -5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 -3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 -4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 -3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 -8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 -9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 -8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 -8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.107 -9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 -9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 -11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 -10.205 -4.819 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 -9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 -10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 -8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 -7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 -7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 -6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 -8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 -8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 -8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 -7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.952 -8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 -8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 -8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 -7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 -9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 -8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 -8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 -9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 -10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 -10.853 1.518 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 -11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 -11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 -10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 -10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 -10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.260 -10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 -12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 -12.992 -3.062 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 -12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 -13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 -14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 -14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 -13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 -12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 -12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 -12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 -13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.653 -13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 -14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 -12.736 -4.471 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 -13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 -11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 -11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 -12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 -11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 -12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 -13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 -11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 -11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 -12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 -10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 -9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 -9.866 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 -8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 -8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 -8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 -7.651 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 -9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 -8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 -8.871 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 -9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 -9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 -9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 -9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 -9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 -9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 -10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 -10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 -8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 -6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 -11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 -11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 -12.507 -1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 -13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 -14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.705 -15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 -15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 -15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 -14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 -15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 -13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 -13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 -13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 -13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 -14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 -15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 -16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 -16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 -17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 -17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 -18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 -13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 -14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 -12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 -12.127 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 -12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 -11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 -11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 -12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 -12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 -11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 -10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 -11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 -11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 -11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 -10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 -11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 -9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 -9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 -9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 -8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 -10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 -8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 -8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 -7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 -8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 -6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 -6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 -7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 -7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 -7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 -5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 -4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 -5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 -6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 -4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 -5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 -4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 -4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 -3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 -2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 -3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 -3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 -3.777 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 -4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 -2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 -1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 -2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 -3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 -2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 -3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 -4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 -2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 -3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 -4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 -4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 -1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 -0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 -2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 -3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 -1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 -1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 -2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 -2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 -4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 -2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 -4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 -4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 -5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 -5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 -0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 -1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 -0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 2.260 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 1.098 -3.517 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 6.078 -1.197 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 5.444 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -10.183 -19.747 6.921 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -10.449 -19.860 7.984 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -10.562 -20.934 6.242 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -10.095 -21.681 6.622 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -10.870 -18.465 6.395 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -10.670 -17.667 7.128 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -12.329 -18.641 6.308 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -12.678 -19.316 5.689 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -13.251 -17.908 7.049 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -12.966 -17.018 7.874 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -14.716 -18.240 6.814 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -14.982 -18.069 5.762 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -15.356 -17.608 7.445 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -14.913 -19.293 7.059 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -10.291 -18.015 5.041 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -10.520 -18.774 4.279 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -10.872 -16.749 4.678 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -10.514 -16.465 3.834 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -8.768 -17.843 5.149 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -8.557 -17.046 5.879 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -8.233 -17.458 3.827 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -8.086 -19.142 5.614 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -8.302 -19.929 4.873 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -8.710 -19.575 6.892 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -6.566 -19.047 5.818 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -6.102 -18.791 4.858 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -6.180 -20.026 6.141 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -6.261 -18.046 6.802 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -5.997 -18.475 7.620 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -7.553 -16.152 3.794 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -6.694 -16.139 4.479 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -7.075 -15.876 2.355 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -7.943 -15.978 1.686 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -6.059 -16.863 1.960 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -5.228 -16.905 2.478 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -6.199 -17.747 0.894 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -7.193 -17.818 0.144 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -5.033 -18.691 0.648 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -4.858 -19.320 1.531 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -5.245 -19.342 -0.212 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -4.118 -18.119 0.437 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -6.519 -14.445 2.220 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -5.612 -14.348 2.835 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -6.218 -14.187 0.835 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -5.564 -14.819 0.530 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -7.568 -13.423 2.691 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -8.455 -13.515 2.045 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -7.019 -12.058 2.583 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -7.986 -13.685 4.144 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -7.107 -13.610 4.803 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -8.483 -15.073 4.197 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -9.104 -12.760 4.641 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -9.976 -12.880 3.987 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -8.767 -11.712 4.589 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -9.435 -13.108 5.992 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -9.397 -12.322 6.542 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -7.821 -11.168 1.728 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -8.870 -11.157 2.058 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -7.245 -9.742 1.798 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -6.173 -9.792 1.550 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -7.393 -9.212 3.160 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -6.555 -8.996 3.622 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -8.576 -8.963 3.917 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -9.739 -9.168 3.519 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -8.374 -8.403 5.316 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -7.847 -7.440 5.269 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -7.779 -9.100 5.923 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -9.344 -8.248 5.808 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -7.943 -8.817 0.782 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -8.997 -8.694 1.071 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -7.274 -7.543 0.778 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -6.356 -7.666 0.525 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -7.867 -9.420 -0.632 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -6.806 -9.504 -0.914 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -8.562 -8.537 -1.590 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -8.502 -10.817 -0.674 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -9.559 -10.752 -0.372 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -7.788 -11.635 0.326 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -8.379 -11.519 -2.032 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -7.316 -11.613 -2.284 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -8.873 -10.911 -2.807 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -8.994 -12.812 -1.946 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -8.542 -13.335 -1.278 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -7.692 -8.068 -2.682 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -7.191 -8.918 -3.167 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -8.517 -7.297 -3.725 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -9.042 -6.474 -3.216 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -9.504 -8.199 -4.334 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -9.177 -8.995 -4.802 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -10.881 -7.999 -4.287 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -11.450 -7.040 -3.731 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -11.736 -9.048 -4.980 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -11.566 -10.036 -4.528 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -11.483 -9.104 -6.048 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -12.802 -8.797 -4.884 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -7.597 -6.705 -4.815 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -7.199 -7.530 -5.426 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -8.382 -5.821 -5.639 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -8.725 -5.105 -5.100 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -6.422 -5.899 -4.226 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -6.807 -4.961 -3.797 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -5.495 -5.617 -5.288 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -5.938 -5.104 -5.968 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -5.661 -6.684 -3.139 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -5.182 -7.564 -3.594 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -6.652 -7.164 -2.160 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -4.618 -5.863 -2.368 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -5.129 -5.042 -1.852 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -3.888 -5.435 -3.074 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -3.957 -6.720 -1.425 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -3.097 -6.351 -1.209 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_15.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_15.pdb new file mode 100644 index 000000000..4463f736f --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_15.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_15.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_15.pdb +REMARK =============================================================== +REMARK HADDOCK score: -31.3433 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 107.385, 0, 0, 0, 0, -24.9876, -1.58966, 133.963, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.545069,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 2, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 1.26249 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.69438 +REMARK Internal energy free molecules: 3903.29 +REMARK Internal energy complex: 3903.29 +REMARK Binding energy: -24.8829 +REMARK =============================================================== +REMARK buried surface area: 780.008 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 14.513 4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 9.978 10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 9.854 3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 8.901 6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 8.898 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 7.917 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.960 6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 9.222 -1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 8.524 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 5.456 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 2.637 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 8.164 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 6.897 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 5.338 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 2.679 -8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 -0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 -0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 0.683 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 -0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 -1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.665 0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 -0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 -0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 -2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 -2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 -3.280 -10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 -3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 -4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 -2.602 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 -2.004 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 -2.628 -11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 -1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 -1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 -0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 -2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 -0.450 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 -2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 -1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 -1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 -1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 -4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 -4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 -4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 -4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 -5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 -6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 -6.897 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 -7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 -6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 -5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 -7.402 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 -7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 -8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 -6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 -5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 -6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 -5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 -6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 -6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 -7.972 -6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 -7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.750 -8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 -5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 -3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 -5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 -6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 -4.408 -6.376 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 -5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 -5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 -6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 -3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.456 -3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 -2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 -2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 -1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 -0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 -1.684 -2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 -1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 -2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 -2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 -3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 -3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 -2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 -3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 -3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 -4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 -4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 -4.911 -1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 -5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 -7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 -7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 -7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 -6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 -7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 -3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 -4.199 0.170 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 -2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 -2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 -1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 -0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 -1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 -1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 -1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 -2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 -2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 -2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 -1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 -2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.051 -2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 -2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 -0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 -0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 -0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 -1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 -0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 -1.045 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 -0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 -2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 -2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 -3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 -3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.777 -3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 -4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 -5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 -3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 -3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 -3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 -3.870 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 -3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 -2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 -4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 -2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 -2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 -1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 -1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 0.678 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 -0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 -0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 -0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 -0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 -0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 -1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 -1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 -2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 -1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 -3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 -1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 -0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 -0.426 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 -2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 -2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 -3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 -4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 -4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 -4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 -5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 -5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 -5.231 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 -5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 -5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 -5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 -5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 -5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 -2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 -3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 -2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 -2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 -2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 -1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 -3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 -4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 -3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 -5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 -0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 -0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 2.996 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 3.974 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 4.302 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 7.936 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 7.852 4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.795 12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 12.149 7.456 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 5.005 10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 2.424 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 1.362 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 -0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 -2.005 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 -1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 -3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 -3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 -3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 -0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 -1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 -0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 -0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 -1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 -0.262 10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 -0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 -0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 -0.288 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 -0.981 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 1.293 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 -2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 -3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 -3.343 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 -2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 -4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 -5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 -5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 -4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 -5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 -5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 -5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 -5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 -4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 -6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 -6.995 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.950 -7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 -8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 -9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 -10.090 9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 -8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 -7.495 9.740 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 -7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 -7.466 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 -7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 -7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 -8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 -7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 -6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 -7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 -6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 -6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 -5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 -5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 -3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 -3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 -1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 -3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 -4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 -3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 -3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 -4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 -5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 -2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 -2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 -1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 -1.194 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 -0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 -0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 -0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 -0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 -0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 -0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 -1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 -2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 -3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 -3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.584 2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 4.888 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 2.707 -1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 -0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 -1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 -0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 -1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 -0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 -0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 2.006 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 -0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 -2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 -0.165 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 -0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 -0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 -0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 -0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 -1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 -2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 -2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 -3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 -4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 -4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 -4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 -3.855 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.342 -4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 -1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 -1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 -1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 -1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 -0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 -0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 -0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 -0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 -1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 -1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 -3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 -3.493 0.617 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 -4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 -5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.554 -6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 -7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 -8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 -8.584 0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 -9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 -9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 -9.907 -1.844 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 -8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 -10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 -10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 -11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 -4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 -4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 -4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 -3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 -4.244 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 -5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 -6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 -7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 -6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.958 -8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 -7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 -8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 -9.950 -0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 -10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 -3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 -3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 -2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 -2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 -1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 -1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 -2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 -3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 -3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 -4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 -5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 -4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 -2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 -5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 -3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 -5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 2.184 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.058 3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 3.810 1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 -1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 -1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 -0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 -0.249 2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 -2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 -1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 -1.440 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 -2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 -3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 -4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 -4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 -3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 -4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 -5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 -4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 -4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 -5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 -4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 -5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 -3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 -3.099 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 -3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 -1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 -2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 -2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 -3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 -3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 -2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 -4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 -5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 -6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 -6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 -6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 -6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.605 -6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 -7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 -1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 -1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 -1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 -1.289 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 0.121 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 -0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 -0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 -1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 -1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 -2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 -2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 -3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 -0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 0.589 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.821 2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 5.265 -8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 6.324 -9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.867 4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 5.122 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 5.123 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 7.415 -4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.737 10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 11.726 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 4.889 0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 10.035 -1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 5.830 -0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 8.863 1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 10.669 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 12.099 -1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 12.599 -1.985 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 15.157 3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 16.360 4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 9.768 -0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.089 7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 11.184 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 9.906 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 5.893 -6.211 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 7.771 -4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 4.781 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 4.982 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 8.288 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 3.266 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 -0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 -0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 -0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 -1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 -0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 -1.361 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 -2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 -0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 -0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 -1.697 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 -0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 -1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 -2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 -3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 -3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 -4.595 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 -5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 -4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 -6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 -5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 -6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 -4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 -2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.987 -4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 -2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 -2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 -4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 -3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 -4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 -2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 -5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 -6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 -4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 -3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 -5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 -5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 -5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 -4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 -6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 -7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 -6.046 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 -5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 -6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 -5.673 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.272 -4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 -3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 -4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 -7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 -8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 -7.971 -10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 -7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 -9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 -8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 -8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.560 -7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 -8.474 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 -10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 -10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 -11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 -12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 -13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 -13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 -11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 -12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.173 -13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 -12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 -11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 -12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.974 -12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 -13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 -14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 -13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 -13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 -14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 -11.806 -6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 -11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 -10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 -10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 -9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 -9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 -8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 -9.019 -5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 -9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 -8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 -7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 -6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 -9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 -5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 -9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 -8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 -10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 -10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 -11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 -11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 -11.610 -0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 -10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 -9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 -9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 -8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 -8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 -8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 -8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 -8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 -7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 -6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 -5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 -4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 -5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 -3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 -2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 -3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 -5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 -3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 -4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 -3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 -8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 -9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 -8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 -8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.106 -9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 -9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 -11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 -10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 -9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 -10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 -8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 -7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 -7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 -6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 -8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 -8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 -8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 -7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 -8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 -8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 -8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 -7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 -9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 -8.561 -0.538 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 -8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 -9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 -10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 -10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 -11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 -11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 -10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 -10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 -10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 -10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 -12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 -12.992 3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 -12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 -13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 -14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 -14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 -13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 -12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 -12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 -12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 -13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.652 -13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 -14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 -12.736 4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 -13.582 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 -11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 -11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 -12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 -11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 -12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 -13.529 8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 -11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 -11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 -12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 -10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 -9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 -9.867 7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 -8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 -8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 -8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 -7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 -9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 -8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 -8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 -9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 -9.606 6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 -9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 -9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 -9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 -9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 -10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 -10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 -8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 -6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 -11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 -11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 -12.507 1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.885 -13.322 1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 -14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.706 -15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 -15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 -15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 -14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 -15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 -13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 -13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 -13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 -13.298 0.548 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 -14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 -15.885 2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 -16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 -16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 -17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 -17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 -18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 -13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 -14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 -12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 -12.128 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 -12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 -11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 -11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 -12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 -12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 -11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 -10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 -11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 -11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 -11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 -10.784 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 -11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 -9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 -9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 -9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 -8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 -10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 -8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 -8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 -7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 -8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 -6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 -6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 -7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 -7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 -7.730 3.329 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 -5.386 2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 -4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 -5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 -6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 -4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 -5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 -4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 -4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 -3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 -2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 -3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 -3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 -3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 -4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 -2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 -1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 -2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 -3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 -2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 -3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 -4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 -2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 -3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 -4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 -4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 -1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 -0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 -2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 -3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 -1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 -1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 -2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 -2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 -4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 -2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 -4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 -4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 -5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 -5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 -0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 -1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 -0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 2.261 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.975 3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 7.979 -22.761 -1.437 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 8.727 -23.386 -1.951 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 7.288 -23.576 -0.504 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 6.855 -24.295 -0.968 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 8.721 -21.559 -0.807 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 9.383 -21.145 -1.584 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 9.563 -21.985 0.323 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 9.123 -22.374 1.107 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 10.949 -21.872 0.351 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 11.651 -21.400 -0.564 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 11.637 -22.370 1.613 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 11.278 -21.813 2.489 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 12.724 -22.236 1.532 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 11.426 -23.439 1.765 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 7.749 -20.444 -0.375 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 7.107 -20.818 0.435 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 8.508 -19.305 0.071 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 7.906 -18.608 0.341 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 6.875 -20.016 -1.565 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 7.529 -19.600 -2.347 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 5.922 -18.983 -1.113 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 6.094 -21.208 -2.147 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 5.442 -21.612 -1.355 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 7.058 -22.283 -2.497 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 5.242 -20.889 -3.385 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 4.488 -20.143 -3.107 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 4.722 -21.803 -3.715 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 6.075 -20.388 -4.442 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 6.180 -21.066 -5.114 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 6.050 -17.684 -1.797 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 5.884 -17.792 -2.878 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 5.017 -16.706 -1.206 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 5.158 -16.684 -0.115 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 3.653 -17.174 -1.494 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 3.381 -17.261 -2.432 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 2.716 -17.503 -0.519 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 2.908 -17.446 0.711 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 1.358 -17.967 -1.023 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 1.469 -18.868 -1.642 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 0.697 -18.200 -0.177 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 0.888 -17.180 -1.630 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 5.226 -15.280 -1.754 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 5.025 -15.274 -2.835 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 4.334 -14.380 -1.070 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 3.427 -14.655 -1.222 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 6.672 -14.823 -1.499 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 6.844 -14.807 -0.412 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 6.871 -13.469 -2.049 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 7.681 -15.783 -2.146 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 7.514 -15.820 -3.233 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 7.404 -17.121 -1.591 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 9.144 -15.435 -1.843 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 9.288 -15.438 -0.756 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 9.371 -14.427 -2.225 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 9.994 -16.407 -2.467 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 10.653 -15.957 -3.001 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 7.317 -12.487 -1.047 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 8.215 -12.848 -0.526 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 7.630 -11.152 -1.748 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 6.746 -10.857 -2.335 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 8.770 -11.324 -2.659 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 8.580 -11.161 -3.607 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 10.117 -11.695 -2.371 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 10.566 -11.947 -1.237 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 11.059 -11.782 -3.562 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 11.123 -10.810 -4.070 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 10.695 -12.530 -4.281 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 12.066 -12.073 -3.232 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 7.927 -10.047 -0.716 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 8.857 -10.293 -0.182 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 8.066 -8.792 -1.407 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 7.248 -8.591 -1.869 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 6.773 -9.931 0.293 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 5.860 -9.652 -0.257 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 7.082 -8.887 1.291 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 6.528 -11.265 1.012 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 7.440 -11.568 1.550 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 6.260 -12.267 -0.038 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 5.328 -11.250 1.967 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 4.428 -10.993 1.397 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 5.484 -10.484 2.744 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 5.193 -12.546 2.567 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 5.041 -13.200 1.880 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 6.079 -7.810 1.333 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 5.069 -8.228 1.450 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 6.374 -6.853 2.500 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 7.402 -6.474 2.389 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 6.262 -7.581 3.771 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 5.403 -7.998 3.992 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 7.301 -7.722 4.688 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 8.448 -7.254 4.552 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 6.982 -8.514 5.946 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 6.678 -9.538 5.686 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 6.163 -8.036 6.502 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 7.866 -8.565 6.599 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 5.395 -5.659 2.485 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 4.393 -6.023 2.757 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 5.845 -4.693 3.455 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 6.719 -4.381 3.212 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 5.327 -4.966 1.109 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 6.266 -4.421 0.933 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 4.217 -4.053 1.123 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 4.351 -3.400 1.814 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 5.093 -5.967 -0.040 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 4.101 -6.431 0.078 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 6.106 -7.030 0.083 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 5.226 -5.370 -1.447 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 6.248 -4.992 -1.573 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 4.523 -4.529 -1.560 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 4.942 -6.392 -2.414 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 4.664 -5.982 -3.237 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_16.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_16.pdb new file mode 100644 index 000000000..a55c82d24 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_16.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_16.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_16.pdb +REMARK =============================================================== +REMARK HADDOCK score: -33.012 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 201.579, 0, 0, 0, 0, -27.5756, -2.04547, 231.2, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.993084,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 3, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 4, 0.764913 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 2.39911 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -27.222 +REMARK =============================================================== +REMARK buried surface area: 810.196 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 -12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 -11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 -12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 -13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 -13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 -13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 -13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 -14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 -14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 -14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 -15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 -11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 -10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 -11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 -12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 -10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 -9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 -8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 -9.979 -10.438 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 -10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 -11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 -9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 -8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 -9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 -8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 -9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 -9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 -10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 -10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 -10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 -11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 -11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 -12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 -8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 -8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 -9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 -10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 -8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 -10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 -9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 -9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 -9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 -7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 -7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 -6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 -6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 -5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 -4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 -3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 -2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 -3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 -3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 -3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 -2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 -2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 -2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 -3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 -4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 -3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 -5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 -5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 -6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 -7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 -7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 -8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 -8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 -7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 -6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 -8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 -8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 -9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 -10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 -11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 -12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 -12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 -13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 -9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 -9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 -8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 -7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 -7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 -6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 -5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 -6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 -4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.961 -6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 -6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 -5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 -5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 -5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 -4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 -5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 -5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 -7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 -7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 -8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 -9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 -9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 -10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 -11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 -12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 -11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 -10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 -11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 -10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 -12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 -12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 -12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 -8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 -8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 -8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 -8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 -8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 -9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 -7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 -7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 -6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 -6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 -5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 -4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 -4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 -2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 -4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 -5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 -4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 -5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 -5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 -5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 -5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 -5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 -4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 -3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 -2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 -1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 -2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 -2.636 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 -6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 -5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 -7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 -7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 -8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 -9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 -8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 -8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 -7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 -7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 -7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 -6.896 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 -8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 -8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 -5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 -5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 -5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 -5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 -3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 -2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 -1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 -2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 -3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 -1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 -1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 -2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 -1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 -0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 -0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 -0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 -1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 -0.682 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 -0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 7.403 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.750 8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.457 3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 -1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 -1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 -2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.051 2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 -0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 -1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 -1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.778 3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 -0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 -1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 -1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 -0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 -0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 -0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 -0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 -0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 -1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 -2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 -2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 -2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 -2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 -3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 -1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 -1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 -2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 -2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 -1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 -1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 -3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 -5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 -3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 -3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 -5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 -5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 -4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 -3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 -4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 -2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 -3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 -2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 -1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 -2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 -6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 -7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 -5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 -5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 -7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 -6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 -7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 -8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 -7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 -6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 -8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 -6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 -6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 -7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 -8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 -8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 -9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 -10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 -11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 -9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 -8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 -7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 -8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 -8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 -8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 -9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 -11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.794 -12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 -13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 -12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 -12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 -13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 -7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 -7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 -6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 -6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 -5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 -4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 -4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 -4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 -4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 -4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 -3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 -4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 -5.005 -10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 -5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 -5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 -2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 -2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 -1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 -1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 -0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 -0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 -1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 -1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 -2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 -1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 -0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 -2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 5.968 -9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.951 7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 -0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 -0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 -1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 -1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 -1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 -1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 -1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 -1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 -2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 -3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 -3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 -4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 -2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 -4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.585 -2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 -3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 -4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 -3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 -3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 -2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 -4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 -4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 -4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 -3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 -2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 -4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 -5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 -3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 -4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 -4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 -4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 -5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 -2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 -1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 -1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 -2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 -0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 -0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 -1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 -1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 -2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 -1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 -3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 -2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 -0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 -1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 -0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 -1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 -2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 -2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 -0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 -0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 -1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 -0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.343 4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.959 8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 -0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 -0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 -0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 -0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 -2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 -2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 -1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 -2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 -2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 -3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 -4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 -3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 -4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 -4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 -3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 -5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 -4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 -5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 -3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 -2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 -4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 -3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 -2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 -2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 -2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 -4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 -5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 -4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.059 -3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 -4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 -3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 -4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 -2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 -2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 -2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 -2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 -2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 -2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 -2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 -1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 -3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 -4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 -4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 -4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 -2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 -2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 -3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 -0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 -0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 -0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 -0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 1.439 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 3.099 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.606 6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 -0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 -1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 -2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 -2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 -3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 -3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 -4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 -0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 -0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 -0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 -0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 -1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 -2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 -3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 -2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 -0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 -2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.822 -2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 -3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 -5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 -6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 -5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.868 -4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 -6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 -6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 -5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 -6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 -5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 -6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 -5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 -7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 -8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 -7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 -8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 -9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 -9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.738 -10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 -11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 -9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 -8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 -8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 -7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 -10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 -11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 -10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 -7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 -7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 -6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 -6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 -5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 -7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 -6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 -4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 -3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 -8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 -8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 -9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 -10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 -10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 -11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 -9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 -10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 -9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 -9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 -10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 -9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 -10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 -10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 -9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 -11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 -11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 -11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 -9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 -9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 -8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 -7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 -7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 -5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 -5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 -3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 -5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 -7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 -7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 -8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 -9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 -9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 -9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 -8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 -8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 -7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 -10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 -11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 -11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 -10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 -12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 -13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 -12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 -12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 -13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 -12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 -11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 -13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 -14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 -13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 -14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 -15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 -14.331 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 -16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 -13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 -12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 -13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 -14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 -13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 -14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 -13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 -13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 -13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 -11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 -11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 -11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 -11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 -9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 -8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 -8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 -9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 -7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 -9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 -8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 -10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 -11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 -9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 -11.183 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 -11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 -12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 -10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 -8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 -7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 -9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 -9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 -8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 -8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 -8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 -10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 -6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 -5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 -6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 -7.771 4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 -5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 -5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 -4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 -3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 -5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 -6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 -4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 -5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 -5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 -4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 -6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 -4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 -2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 -4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 -5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 -4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 -5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 -5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 -6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 -7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 -7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 -8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 -9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 -10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 -9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 -9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 -9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 -8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 -3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 -2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 -3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 -4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 -2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 -0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 -2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 -1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 -1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 -1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 -0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 -0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 -1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 -0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 -1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 -2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 -2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 -4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 -4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 -3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 -4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 4.595 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.988 4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 7.971 10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.561 7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.174 13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.975 12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 11.806 6.340 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.106 9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.652 13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 12.507 -1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.884 13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.706 15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 -0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 -1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 -0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 -0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 -0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 -1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 -2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 -0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 -0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 -1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 -0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 -2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.976 -3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 -3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 -2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 -4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 -5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 -6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 -5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 -4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 -6.078 -1.197 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 -6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 -7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 -5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 -4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 -6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 -5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 -6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 -6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 -7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 -5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 -4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 -5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 -5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 -6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 -4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 -3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 -3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 7.593 6.822 -5.226 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 7.289 6.687 -6.277 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 8.566 5.837 -4.916 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 8.186 4.965 -5.039 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 8.086 8.279 -5.062 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 7.334 8.930 -5.534 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 9.366 8.490 -5.759 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 10.148 7.985 -5.453 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 9.539 9.364 -6.827 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 8.646 10.074 -7.329 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 10.942 9.439 -7.411 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 11.657 9.766 -6.644 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 10.969 10.154 -8.245 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 11.253 8.453 -7.784 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 8.197 8.687 -3.581 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 8.977 8.083 -3.096 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 8.523 10.087 -3.501 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 8.593 10.345 -2.578 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 6.854 8.454 -2.868 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 6.096 9.102 -3.333 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 7.001 8.807 -1.441 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 6.402 6.988 -2.985 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 7.168 6.352 -2.512 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 6.363 6.616 -4.423 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 5.034 6.674 -2.359 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 5.085 6.888 -1.285 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 4.810 5.604 -2.491 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 4.012 7.471 -2.980 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 3.487 6.918 -3.563 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 6.121 9.894 -0.981 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 5.063 9.626 -1.116 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 6.402 10.167 0.509 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 7.482 10.351 0.619 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 6.040 8.994 1.317 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 5.106 8.695 1.307 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 6.938 8.274 2.099 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 8.154 8.527 2.215 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 6.365 7.090 2.862 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 5.932 6.360 2.164 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 7.154 6.594 3.444 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 5.578 7.426 3.552 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 5.642 11.416 0.997 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 4.560 11.223 0.953 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 6.045 11.712 2.348 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 5.837 10.963 2.913 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 5.984 12.625 0.110 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 7.064 12.820 0.192 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 5.232 13.809 0.568 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 5.641 12.349 -1.361 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 4.565 12.138 -1.458 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 6.385 11.135 -1.747 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 6.050 13.480 -2.313 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 7.130 13.645 -2.218 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 5.527 14.407 -2.031 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 5.713 13.107 -3.655 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 5.190 13.805 -4.057 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 6.092 14.947 0.929 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 6.773 15.195 0.102 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 5.211 16.167 1.254 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 4.480 15.867 2.021 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 4.487 16.592 0.048 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 3.509 16.545 0.105 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 4.994 17.066 -1.198 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 6.200 17.200 -1.478 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 3.958 17.428 -2.251 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 3.299 18.224 -1.880 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 3.343 16.550 -2.498 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 4.452 17.780 -3.167 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 6.060 17.326 1.809 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 6.736 17.688 1.021 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 5.182 18.383 2.237 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 4.598 18.053 2.924 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 6.889 16.854 3.017 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 6.193 16.528 3.806 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 7.718 17.967 3.522 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 7.796 15.674 2.640 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 8.483 15.979 1.835 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 6.914 14.615 2.113 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 8.584 15.089 3.818 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 7.874 14.751 4.582 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 9.226 15.870 4.256 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 9.380 13.993 3.348 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 8.806 13.314 2.985 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 7.450 18.295 4.932 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 7.517 17.393 5.557 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 8.458 19.341 5.436 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 8.405 20.221 4.776 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 9.814 18.779 5.386 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 10.000 17.971 5.908 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 10.858 19.318 4.639 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 10.781 20.337 3.925 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 12.189 18.588 4.721 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 12.078 17.553 4.367 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 12.550 18.566 5.759 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 12.942 19.093 4.099 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 8.117 19.774 6.878 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 8.326 18.934 7.557 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 8.948 20.899 7.221 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 8.760 21.628 6.625 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 6.642 20.198 7.036 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 6.486 21.160 6.526 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 6.363 20.328 8.440 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 6.939 20.996 8.819 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 5.667 19.151 6.463 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 5.745 18.222 7.048 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 6.095 18.853 5.084 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 4.203 19.606 6.398 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 4.136 20.481 5.740 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 3.861 19.895 7.405 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 3.403 18.528 5.890 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 2.494 18.644 6.176 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_17.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_17.pdb new file mode 100644 index 000000000..325d9a0e0 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_17.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_17.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_17.pdb +REMARK =============================================================== +REMARK HADDOCK score: -35.0734 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 9.523, 0, 0, 0, 0, -28.219, -1.15339, 38.8954, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.293997,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 2, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 1.34789 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.43534 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -27.9371 +REMARK =============================================================== +REMARK buried surface area: 752.533 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 -12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 -11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 -12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 -13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 -13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 -13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 -13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 -14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 -14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 -14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 -15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 -11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 -10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 -11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 -12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 -10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 -9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 -8.732 -10.040 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 -9.979 -10.438 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 -10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.122 -11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 -9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 -8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 -9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 -8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 -9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 -9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 -10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 -10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 -10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 -11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 -11.862 -0.387 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 -12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 -8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 -8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 -9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 -10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 -8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 -10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 -9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 -9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 -9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 -7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 -7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 -6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 -6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 -5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 -4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 -3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 -2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 -3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 -3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 -3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 -2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 -2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 -2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 -3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 -4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 -3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 -5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 -5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 -6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 -7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 -7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 -8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 -8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 -7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 -6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 -8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 -8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 -9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 -10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 -11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 -12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 -12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 -13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 -9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 -9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 -8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 -7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 -7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 -6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 -5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 -6.003 -0.857 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 -4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.961 -6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 -6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 -5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 -5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 -5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 -4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 -5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 -5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 -7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 -7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 -8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 -9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 -9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 -10.464 1.783 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 -11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 -12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 -11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 -10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 -11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 -10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 -12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 -12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 -12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 -8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 -8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 -8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 -8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 -8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 -9.502 2.703 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 -7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 -7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 -6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 -6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 -5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 -4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 -4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 -2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 -4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 -5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 -4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 -5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 -5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 -5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 -5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 -5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 -4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 -3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 -2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 -1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 -2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 -2.636 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 -6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 -5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 -7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 -7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 -8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 -9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 -8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 -8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 -7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 -7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 -7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 -6.896 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 -8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 -8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 -5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 -5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 -5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 -5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 -3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 -2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 -1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 -2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 -3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 -1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 -1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 -2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 -1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 -0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 -0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 -0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 -1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 -0.682 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.665 -0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 2.041 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.199 5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 7.403 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 7.997 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.750 8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.640 6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.456 3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 -1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 -1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 -2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.750 5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.051 2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 -0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 -1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 -1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.777 3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 -0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 -1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 -1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 -0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 -0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 -0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 -0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 -0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 -1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 -2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 -2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 -2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 -2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 -3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 -1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 -1.075 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 -2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 -2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 -1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 -1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 -3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 -5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 -3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 -3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 -5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 -5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 -4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 -3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 -4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 -2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 -3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 -2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 -1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 -2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 -6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 -7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 -5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 -5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 -7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 -6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 -7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 -8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 -7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 -6.996 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.442 -8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 -6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 -6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 -7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 -8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 -8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 -9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 -10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 -11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 -9.278 -3.169 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 -8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 -7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 -8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 -8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 -8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 -9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 -11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.794 -12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.933 -13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 -12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 -12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 -13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.244 -7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 -7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 -6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 -6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 -5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 -4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 -4.621 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 -4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 -4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 -4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 -3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 -4.486 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 -5.005 -10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 -5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 -5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 -2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 -2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 -1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 -1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 -0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 1.116 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.923 0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.218 0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 -0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 -1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 -1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 -2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 -1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 -0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 -2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 2.607 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 5.968 -9.309 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 5.212 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.950 7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 -0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 -0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 -1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 -1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 -1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 -1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 -1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 -1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 -2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 -3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 -3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 -4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 -2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 -4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.584 -2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 -3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 -4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 -3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 -3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 -2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 -4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 -4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 -4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 -3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 -2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 -4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 -5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 -3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 -4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 -4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 -4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 -5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 -2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 -1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 -1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 -2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 -0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 -0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 -1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 -1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 -2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 -1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 -3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 -2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 -0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 -1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 -0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 -1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 -2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 -2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 -0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 -0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 -1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 -0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.342 4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.959 8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.365 5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 -0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 -0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 -0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 -0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 -2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 -2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 -1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 -2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 -2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 -3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 -4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 -3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 -4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 -4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 -3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 -5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 -4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 -5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 -3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 -2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 -4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 -3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 -2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 -2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 -2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 -4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 -5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 -4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.058 -3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 -4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 -3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 -4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 -2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 -2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 -2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 -2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 -2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 -2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 -2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 -1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 -3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 -4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 -4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 -4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 -2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 -2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 -3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 -0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 -0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 -0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 -0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 1.439 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 4.214 0.864 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 3.099 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 6.545 2.958 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.606 6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 -0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 -1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 -2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 -2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 -3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 -3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 -4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 -0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 -0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 -0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 -0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 -1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 -2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 -3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 -2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 -0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 -2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.821 -2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 -3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 -5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 -6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 -5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.867 -4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 -6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 -6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 -5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 -6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 -5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 -6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 -5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 -7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 -8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 -7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 -8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 -9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 -9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.737 -10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 -11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 -9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 -8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 -8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 -7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 -10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 -11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.744 -10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 -7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 -7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 -6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 -6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 -5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 -7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 -6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 -4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 -3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 -8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 -8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 -9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 -10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.046 -10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 -11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.219 -9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 -10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 -9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 -9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 -10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 -9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 -10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 -10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 -9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 -11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 -11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 -11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 -9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 -9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 -8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 -7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 -7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 -5.830 0.313 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 -5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 -3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 -5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 -7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 -7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 -8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 -9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 -9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 -9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 -8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 -8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 -7.056 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 -10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 -11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 -11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 -10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 -12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 -13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 -12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 -12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.490 -13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.973 -12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 -11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 -13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 -14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 -13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 -14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 -15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 -14.331 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 -16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 -13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 -12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 -13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 -14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 -13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 -14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 -13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 -13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 -13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 -11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 -11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 -11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 -11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 -9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 -8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 -8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 -9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 -7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 -9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 -8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 -10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 -11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 -9.880 6.607 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 -11.183 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 -11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 -12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 -10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 -8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 -7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 -9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 -9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 -8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 -8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 -8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 -10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 -6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 -5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 -6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 -7.771 4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 -5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 -5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 -4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 -3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 -5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 -6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 -4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 -5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 -5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 -4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 -6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 -4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 -2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 -4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 -5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 -4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 -5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 -5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 -6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 -7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 -7.259 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 -8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 -9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 -10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 -9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 -9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 -9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 -8.287 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 -3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 -2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 -3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 -4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 -2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 -0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 -2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 -1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 -1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 -1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 -0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 -0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 -1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 -0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 -1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 -2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 -2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 -4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 -4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 -3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 -4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 1.698 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 4.596 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.988 4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.575 8.614 12.519 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 7.971 10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.561 7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.174 13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.975 12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 11.806 6.340 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 11.610 0.662 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.107 9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 10.205 -4.819 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.952 8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.260 10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.180 12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 12.992 -3.062 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.653 13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 12.736 -4.471 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 7.651 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 8.871 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 12.507 -1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.884 13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.705 15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 3.777 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 -0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 -1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 -0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 -0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 -0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 -1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 -2.260 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 -0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 -0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 -1.098 -3.517 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 -0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 -2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.975 -3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 -3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 -2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 -4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 -5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 -6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 -5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 -4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 -6.078 -1.197 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 -6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 -7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 -5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 -4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 -6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 -5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 -6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 -6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 -7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 -5.444 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 -4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 -5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 -5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 -6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 -4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 -3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 -3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 8.037 22.813 0.343 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 8.792 23.475 0.798 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 7.320 23.560 -0.626 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 6.892 24.306 -0.201 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 8.773 21.576 -0.222 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 9.455 21.218 0.566 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 9.587 21.930 -1.396 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 9.126 22.263 -2.195 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 10.972 21.822 -1.449 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 11.698 21.416 -0.520 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 11.629 22.239 -2.756 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 11.254 21.623 -3.584 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 12.718 22.115 -2.691 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 11.408 23.293 -2.974 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 7.800 20.430 -0.556 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 7.137 20.745 -1.374 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 8.556 19.267 -0.942 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 7.953 18.550 -1.152 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 6.955 20.077 0.679 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 7.629 19.717 1.472 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 5.999 19.011 0.318 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 6.179 21.301 1.198 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 5.506 21.648 0.396 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 7.144 22.402 1.454 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 5.357 21.061 2.474 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 4.602 20.294 2.263 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 4.838 21.992 2.753 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 6.217 20.636 3.543 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 6.332 21.358 4.165 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 6.151 17.762 1.084 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 6.008 17.941 2.160 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 5.111 16.741 0.584 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 5.228 16.647 -0.506 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 3.751 17.219 0.871 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 3.500 17.368 1.807 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 2.790 17.478 -0.102 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 2.955 17.340 -1.330 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 1.441 17.967 0.401 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 1.559 18.909 0.955 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 0.760 18.140 -0.444 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 0.990 17.221 1.069 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 5.343 15.356 1.220 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 5.166 15.420 2.304 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 4.441 14.407 0.619 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 3.536 14.687 0.773 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 6.786 14.890 0.964 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 6.933 14.803 -0.123 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 7.006 13.577 1.599 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 7.802 15.896 1.522 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 7.659 16.005 2.608 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 7.504 17.193 0.886 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 9.260 15.537 1.210 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 9.380 15.468 0.122 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 9.503 14.558 1.654 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 10.118 16.553 1.748 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 10.791 16.143 2.296 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 7.435 12.533 0.655 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 8.320 12.863 0.090 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 7.774 11.249 1.435 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 6.905 10.990 2.060 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 8.932 11.488 2.307 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 8.765 11.387 3.268 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 10.270 11.845 1.965 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 10.692 12.023 0.806 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 11.237 12.017 3.125 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 11.320 11.081 3.695 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 10.885 12.810 3.801 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 12.235 12.290 2.753 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 8.055 10.079 0.473 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 8.971 10.293 -0.097 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 8.217 8.874 1.243 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 7.412 8.700 1.735 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 6.879 9.890 -0.500 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 5.981 9.644 0.088 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 7.174 8.783 -1.433 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 6.609 11.172 -1.300 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 7.507 11.443 -1.877 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 6.358 12.240 -0.314 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 5.389 11.087 -2.225 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 4.503 10.864 -1.619 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 5.533 10.271 -2.952 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 5.231 12.339 -2.906 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 5.091 13.037 -2.261 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 6.177 7.700 -1.380 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 5.162 8.105 -1.502 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 6.452 6.670 -2.487 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 7.485 6.304 -2.374 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 6.307 7.311 -3.801 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 5.440 7.707 -4.030 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 7.324 7.396 -4.748 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 8.477 6.944 -4.608 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 6.972 8.099 -6.049 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 6.667 9.137 -5.851 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 6.144 7.581 -6.553 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 7.840 8.112 -6.724 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 5.482 5.474 -2.371 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 4.471 5.813 -2.643 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 5.916 4.448 -3.284 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 6.798 4.158 -3.040 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 5.449 4.875 -0.950 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 6.396 4.347 -0.759 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 4.345 3.957 -0.878 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 4.468 3.259 -1.526 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 5.234 5.948 0.134 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 4.237 6.398 0.009 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 6.237 7.006 -0.082 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 5.403 5.447 1.575 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 6.430 5.084 1.702 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 4.708 4.612 1.760 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 5.133 6.530 2.478 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 4.877 6.175 3.332 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_18.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_18.pdb new file mode 100644 index 000000000..9c2b265c3 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_18.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_18.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_18.pdb +REMARK =============================================================== +REMARK HADDOCK score: -41.3754 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 34.1647, 0, 0, 0, 0, -29.9728, 0.217966, 63.9195, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.506494,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 1, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 0.483256 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: -2.2354 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -31.9903 +REMARK =============================================================== +REMARK buried surface area: 1002.43 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 -12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 -11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 -12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 -13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 -13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 -13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 -13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 -14.513 4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 -14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 -14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 -15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 -11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 -10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 -11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 -12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 -10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 -9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 -8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 -9.979 10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 -10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 -11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 -9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 -8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 -9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 -8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 -9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 -9.854 3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 -10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 -10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 -10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 -11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 -11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 -12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 -8.901 6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 -8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 -9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 -10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 -8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 -10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 -9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 -9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 -9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 -7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 -7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 -6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 -6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 -5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 -4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 -3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 -2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 -3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 -3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 -3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 -2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 -2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 -2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 -3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 -4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 -3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 -5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 -5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 -6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 -7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 -7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 -8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 -8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 -7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 -6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 -8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 -8.898 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 -9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 -10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 -11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 -12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 -12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 -13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 -9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 -9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 -8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 -7.917 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 -7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 -6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 -5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 -6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 -4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.960 -6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 -6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 -5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 -5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 -5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 -4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 -5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 -5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 -7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 -7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 -8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 -9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 -9.222 -1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 -10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 -11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 -12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 -11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 -10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 -11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 -10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 -12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 -12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 -12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 -8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 -8.524 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 -8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 -8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 -8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 -9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 -7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 -7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 -6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 -6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 -5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 -4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 -4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 -2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 -4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 -5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 -4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 -5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 -5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 -5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 -5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 -5.455 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 -4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 -3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 -2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 -1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 -2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 -2.637 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 -6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 -5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 -7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 -7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 -8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 -9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 -8.164 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 -8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 -7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 -7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 -7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 -6.897 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 -8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 -8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 -5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 -5.338 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 -5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 -5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 -3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 -2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 -1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 -2.679 -8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 -3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 -1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 -1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 -2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 -1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 -0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 -0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 -0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 -1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 -0.683 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 -0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 3.280 -10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 2.603 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 2.004 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 2.628 -11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 0.450 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 6.897 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 7.402 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 7.972 -6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.750 8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 4.408 -6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.641 6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.457 3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 -1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 -1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 -2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 1.684 -2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 4.911 -1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 4.199 0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.052 2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 -0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 -1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 -1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 1.045 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.777 3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 3.870 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 -0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 -1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 -1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 -0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 -0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 -0.678 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 0.425 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 5.230 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 -0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 -0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 -1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 -2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 -2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 -2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 -2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 -3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 -1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 -1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 -2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 -2.996 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 -1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 -1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 -3.974 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 -5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 -3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 -3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 -5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 -5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 -4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 -3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 -4.302 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 -2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 -3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 -2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 -1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 -2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 -6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 -7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 -5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 -5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 -7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 -6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 -7.936 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 -8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 -7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 -6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 -8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 -6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 -6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 -7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 -8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 -8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 -9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 -10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 -11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 -9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 -8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 -7.852 4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 -8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 -8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 -8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 -9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 -11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.795 -12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 -13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 -12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 -12.149 7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 -13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 -7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 -7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 -6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 -6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 -5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 -4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 -4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 -4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 -4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 -4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 -3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 -4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 -5.005 10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 -5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 -5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 -2.424 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 -2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 -1.362 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 -1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 -0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 2.005 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 0.262 10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 0.288 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 0.981 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 -0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 -1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 -1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 -2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 -1.294 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 -0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 -2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 3.342 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 6.995 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 10.090 9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 7.495 9.741 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 7.465 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 1.194 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 -0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 -0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 -1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 -1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 -1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 -1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 -1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 -1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 -2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 -3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 -3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 -4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 -2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 -4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.585 -2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 -3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 -4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 -3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 -3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 -2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 -4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 -4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 -4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 -3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 -2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 -4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 -5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 -3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 -4.888 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 -4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 -4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 -5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 -2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 -1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 -1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 -2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 -0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 -0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 -1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 -1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 -2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 -1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 -3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 -2.707 -1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 -0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 -1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 -0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 -1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 -2.006 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 -2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 0.165 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 -0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 -0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 -1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 -0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 3.855 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 3.493 0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 8.584 0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 9.907 -1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 4.244 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 9.950 -0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 -0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 -0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 -0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 -0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 -2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 -2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 -1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 -2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 -2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 -3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 -4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 -3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 -4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 -4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 -3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 -5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 -4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 -5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 -3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 -2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 -4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 -3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 -2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 -2.184 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 -2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 -4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 -5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 -4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.059 -3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 -4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 -3.810 1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 -4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 -2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 -2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 -2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 -2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 -2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 -2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 -2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 -1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 -3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 -4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 -4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 -4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 -2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 -2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 -3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 -0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 -0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 -0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 -0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 0.249 2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 1.440 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 3.099 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.605 6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 1.289 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 -0.120 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 -1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 -2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 -2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 -3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 -3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 -4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 -0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 -0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 -0.589 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 -0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 -1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 -2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 -3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 -2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 -0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 -2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 -2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 -3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 -5.265 -8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 -6.324 -9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 -5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 -4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 -6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 -6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 -5.122 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 -6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 -5.123 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 -6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 -5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 -7.415 -4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 -8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 -7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 -8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 -9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 -9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 -10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 -11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 -9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 -8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 -8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 -7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 -10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 -11.726 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 -10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 -7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 -7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 -6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 -6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 -5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 -7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 -6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 -4.889 0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 -3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 -8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 -8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 -9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 -10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 -10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 -11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 -9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 -10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 -9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 -9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 -10.035 -1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 -9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 -10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 -10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 -9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 -11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 -11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 -11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 -9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 -9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 -8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 -7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 -7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 -5.830 -0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 -5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 -3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 -5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 -7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 -7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 -8.863 1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 -9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 -9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 -9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 -8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 -8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 -7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 -10.669 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 -11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 -11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 -10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 -12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 -13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 -12.099 -1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 -12.599 -1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 -13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.974 -12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 -11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 -13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 -14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 -13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 -14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 -15.157 3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 -14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 -16.360 4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 -13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 -12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 -13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 -14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 -13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 -14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 -13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 -13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 -13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 -11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 -11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 -11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 -11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 -9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 -8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 -8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 -9.768 -0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 -7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 -9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 -8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 -10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 -11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 -9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 -11.184 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 -11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 -12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 -10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 -8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 -7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 -9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 -9.906 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 -8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 -8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 -8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 -10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 -6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 -5.893 -6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 -6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 -7.771 -4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 -5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 -5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 -4.781 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 -3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 -5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 -6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 -4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 -5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 -5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 -4.982 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 -6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 -4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 -2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 -4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 -5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 -4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 -5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 -5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 -6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 -7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 -7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 -8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 -9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 -10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 -9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 -9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 -9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 -8.288 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 -3.266 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 -2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 -3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 -4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 -2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 -0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 -2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 -1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 -1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 -1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 -0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 -0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 -1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 -0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 -1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 -2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 -2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 -4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 -4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 -3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 -4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 1.361 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 1.697 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 4.595 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 6.046 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 5.673 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.272 4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 7.971 -10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.560 7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 8.475 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.173 13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.974 12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 11.806 -6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 9.019 -5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 11.610 -0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.106 9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.953 8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 8.561 -0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.261 10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 12.992 3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.652 13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 12.736 4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 13.582 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 13.529 8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 9.867 7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 9.606 6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 12.507 1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 13.322 1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.706 15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 13.298 0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 15.885 2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 12.128 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 10.784 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 7.730 3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 5.386 2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 -0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 -1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 -0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 -0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 -0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 -1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 -2.261 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 -0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 -0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 -1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 -0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 -2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 -3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 -3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 -2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 -4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 -5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 -6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 -5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 -4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 -6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 -6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 -7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 -5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 -4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 -6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 -5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 -6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 -6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 -7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 -5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 -4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 -5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 -5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 -6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 -4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 -3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 -3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -9.471 10.281 -8.330 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -9.165 9.573 -9.117 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -10.519 11.088 -8.844 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -10.204 11.566 -9.614 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -9.856 9.459 -7.078 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -9.050 8.725 -6.914 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -11.106 8.713 -7.294 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -11.928 9.223 -7.451 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -11.200 7.325 -7.290 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -10.250 6.540 -7.106 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -12.585 6.746 -7.533 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -13.284 7.090 -6.758 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -12.548 5.648 -7.510 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -12.965 7.063 -8.514 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -9.954 10.338 -5.818 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -10.783 11.050 -5.937 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -10.175 9.496 -4.671 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -10.238 10.041 -3.884 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -8.642 11.113 -5.612 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -7.831 10.388 -5.445 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -8.780 11.984 -4.427 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -8.300 11.976 -6.839 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -9.117 12.699 -6.991 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -8.271 11.103 -8.041 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -6.967 12.737 -6.752 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -7.015 13.428 -5.903 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -6.822 13.325 -7.672 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -5.881 11.812 -6.582 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -5.391 11.742 -7.406 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -7.826 11.702 -3.340 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -6.790 11.829 -3.685 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -8.106 12.664 -2.170 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -9.170 12.571 -1.904 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -7.843 14.052 -2.579 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -6.934 14.287 -2.862 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -8.803 15.059 -2.592 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -9.997 14.919 -2.264 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -8.330 16.430 -3.050 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -7.944 16.378 -4.077 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -9.161 17.148 -3.023 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -7.529 16.796 -2.392 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -7.260 12.296 -0.935 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -6.195 12.446 -1.166 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -7.657 13.129 0.171 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -7.513 14.050 -0.058 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -7.498 10.826 -0.549 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -8.562 10.704 -0.293 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -6.666 10.475 0.617 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -7.158 9.884 -1.713 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -6.100 10.004 -1.991 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -7.987 10.311 -2.857 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -7.470 8.410 -1.425 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -8.535 8.317 -1.184 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -6.882 8.072 -0.557 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -7.144 7.628 -2.582 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -6.565 6.906 -2.325 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -7.442 9.985 1.767 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -8.092 9.149 1.467 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -6.476 9.515 2.869 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -5.780 10.339 3.089 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -5.707 8.356 2.396 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -4.736 8.486 2.347 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -6.161 7.064 1.995 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -7.350 6.693 1.981 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -5.087 6.082 1.554 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -4.375 5.902 2.371 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -4.538 6.481 0.690 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -5.542 5.123 1.268 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -7.243 9.161 4.158 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -7.880 8.285 3.970 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -6.293 8.873 5.200 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -5.745 9.646 5.353 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -8.120 10.345 4.602 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -7.461 11.201 4.817 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -8.870 9.983 5.823 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -9.109 10.747 3.499 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -9.761 9.894 3.257 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -8.302 11.061 2.303 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -9.953 11.982 3.835 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -9.280 12.827 4.023 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -10.541 11.790 4.747 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -10.824 12.267 2.731 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -10.297 12.449 1.949 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -8.596 10.881 6.957 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -8.739 11.930 6.662 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -9.529 10.550 8.134 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -9.402 9.487 8.391 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -10.923 10.789 7.736 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -11.176 11.693 7.455 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -11.914 9.811 7.731 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -11.751 8.620 8.059 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -13.297 10.260 7.286 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -13.260 10.648 6.258 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -13.672 11.055 7.946 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -14.001 9.417 7.317 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -9.175 11.410 9.367 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -9.455 12.454 9.160 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -9.924 10.916 10.494 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -9.674 10.006 10.667 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -7.674 11.349 9.720 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -7.440 10.356 10.130 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -7.404 12.368 10.698 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -7.934 12.204 11.482 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -6.774 11.624 8.500 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -6.928 12.660 8.159 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -7.205 10.724 7.416 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -5.279 11.371 8.737 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -5.138 10.314 8.990 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -4.929 11.986 9.582 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -4.556 11.707 7.543 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -3.644 11.906 7.769 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_19.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_19.pdb new file mode 100644 index 000000000..9cbfff494 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_19.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_19.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_19.pdb +REMARK =============================================================== +REMARK HADDOCK score: -18.0959 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 269.099, 0, 0, 0, 0, -13.7665, -1.45394, 284.32, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.815789,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 5, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 4, 1.00999 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.34982 +REMARK Internal energy free molecules: 3903.29 +REMARK Internal energy complex: 3903.29 +REMARK Binding energy: -13.8706 +REMARK =============================================================== +REMARK buried surface area: 706.855 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 -12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 -11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 -12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 -13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 -13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 -13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 -13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 -14.513 4.128 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 -14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 -14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 -15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 -11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 -10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 -11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 -12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 -10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 -9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 -8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 -9.978 10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 -10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.122 -11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 -9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 -8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 -9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 -8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 -9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 -9.854 3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 -10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 -10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 -10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 -11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 -11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 -12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 -8.901 6.673 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 -8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 -9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 -10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 -8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 -10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 -9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 -9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 -9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 -7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 -7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 -6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 -6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 -5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 -4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 -3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 -2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 -3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 -3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 -3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 -2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 -2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 -2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 -3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 -4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 -3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 -5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 -5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 -6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 -7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 -7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 -8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 -8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 -7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 -6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 -8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 -8.897 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 -9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 -10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 -11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 -12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 -12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 -13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 -9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 -9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 -8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 -7.916 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 -7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 -6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 -5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 -6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 -4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.961 -6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 -6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 -5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 -5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 -5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 -4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 -5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 -5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 -7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 -7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 -8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 -9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 -9.222 -1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 -10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 -11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 -12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 -11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 -10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 -11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 -10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 -12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 -12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 -12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 -8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 -8.524 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 -8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 -8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 -8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 -9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 -7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 -7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 -6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 -6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 -5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 -4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 -4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 -2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 -4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 -5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 -4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 -5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 -5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 -5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 -5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 -5.456 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 -4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 -3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 -2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 -1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 -2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 -2.637 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 -6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 -5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 -7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 -7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 -8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 -9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 -8.165 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 -8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 -7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 -7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 -7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 -6.897 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 -8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 -8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 -5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 -5.339 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 -5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 -5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 -3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 -2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 -1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 -2.679 -8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 -3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 -1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 -1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 -2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 -1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 -0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 -0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 -0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 -1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 -0.683 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 -0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 3.280 -10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 2.602 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 2.003 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 2.628 -11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 0.449 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 6.897 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 7.402 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 7.972 -6.328 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.750 8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 4.408 -6.376 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.640 6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.456 3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 -1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 -1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 -2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 1.684 -2.745 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 4.911 -1.209 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 4.199 0.170 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.051 2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 -0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 -1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 -1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 1.045 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.778 3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 3.871 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 -0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 -1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 -1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 -0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 -0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 -0.677 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 0.426 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 5.231 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 -0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 -0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 -1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 -2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 -2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 -2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 -2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 -3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 -1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 -1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 -2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 -2.995 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 -1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 -1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 -3.973 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 -5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 -3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 -3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 -5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 -5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 -4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 -3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 -4.301 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 -2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 -3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 -2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 -1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 -2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 -6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 -7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 -5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 -5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 -7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 -6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 -7.936 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 -8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 -7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 -6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 -8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 -6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 -6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 -7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 -8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 -8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 -9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 -10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 -11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 -9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 -8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 -7.852 4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 -8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 -8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 -8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 -9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 -11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.794 -12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 -13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 -12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 -12.149 7.456 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 -13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 -7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 -7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 -6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 -6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 -5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 -4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 -4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 -4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 -4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 -4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 -3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 -4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 -5.005 10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 -5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 -5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 -2.423 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 -2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 -1.361 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 -1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 -0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 2.006 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 0.262 10.667 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 0.288 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 0.981 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 -0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 -1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 -1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 -2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 -1.293 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 -0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 -2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 3.343 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 6.996 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 10.090 9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 7.495 9.740 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 7.466 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 1.194 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 -0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 -0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 -1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 -1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 -1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 -1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 -1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 -1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 -2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 -3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 -3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 -4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 -2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 -4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.584 -2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 -3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 -4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 -3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 -3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 -2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 -4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 -4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 -4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 -3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 -2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 -4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 -5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 -3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 -4.887 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 -4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 -4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 -5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 -2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 -1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 -1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 -2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 -0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 -0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 -1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 -1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 -2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 -1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 -3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 -2.707 -1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 -0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 -1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 -0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 -1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 -2.005 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 -2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 0.165 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 -0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 -0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 -1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 -0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 3.855 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 3.493 0.617 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 8.584 0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 9.907 -1.844 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 4.243 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.959 8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 9.950 -0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.365 5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 -0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 -0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 -0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 -0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 -2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 -2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 -1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 -2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 -2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 -3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 -4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 -3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 -4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 -4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 -3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 -5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 -4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 -5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 -3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 -2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 -4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 -3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 -2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 -2.184 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 -2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 -4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 -5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 -4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.058 -3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 -4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 -3.810 1.887 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 -4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 -2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 -2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 -2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 -2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 -2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 -2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 -2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 -1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 -3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 -4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 -4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 -4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 -2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 -2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 -3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 -0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 -0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 -0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 -0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 0.249 2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 1.439 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 3.099 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.606 6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 1.288 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 -0.121 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 -1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 -2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 -2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 -3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 -3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 -4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 -0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 -0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 -0.590 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 -0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 -1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 -2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 -3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 -2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 -0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 -2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.822 -2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 -3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 -5.266 -8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 -6.324 -9.404 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 -5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 -4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 -6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 -6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 -5.122 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 -6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 -5.124 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 -6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 -5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 -7.415 -4.690 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 -8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 -7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 -8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 -9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 -9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 -10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 -11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 -9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 -8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 -8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 -7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 -10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 -11.727 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 -10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 -7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 -7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 -6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 -6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 -5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 -7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 -6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 -4.889 0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 -3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 -8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 -8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 -9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 -10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 -10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 -11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 -9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 -10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 -9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 -9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 -10.035 -1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 -9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 -10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 -10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 -9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 -11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 -11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 -11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 -9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 -9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 -8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 -7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 -7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 -5.830 -0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 -5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 -3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 -5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 -7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 -7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 -8.863 1.375 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 -9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 -9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 -9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 -8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 -8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 -7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 -10.669 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 -11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 -11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 -10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 -12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 -13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 -12.099 -1.255 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 -12.599 -1.985 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 -13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.973 -12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 -11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 -13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 -14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 -13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 -14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 -15.157 3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 -14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 -16.360 4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 -13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 -12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 -13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 -14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 -13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 -14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 -13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 -13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 -13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 -11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 -11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 -11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 -11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 -9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 -8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 -8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 -9.768 -0.428 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 -7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 -9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 -8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 -10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 -11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 -9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 -11.184 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 -11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 -12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 -10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 -8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 -7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 -9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 -9.907 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 -8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 -8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 -8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 -10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 -6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 -5.893 -6.211 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 -6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 -7.771 -4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 -5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 -5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 -4.782 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 -3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 -5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 -6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 -4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 -5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 -5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 -4.983 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 -6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 -4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 -2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 -4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 -5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 -4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 -5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 -5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 -6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 -7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 -7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 -8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 -9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 -10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 -9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 -9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 -9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 -8.288 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 -3.267 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 -2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 -3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 -4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 -2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 -0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 -2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 -1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 -1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 -1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 -0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 -0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 -1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 -0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 -1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 -2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 -2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 -4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 -4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 -3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 -4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 1.360 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 1.697 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 4.595 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.988 4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 6.045 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 5.672 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.273 4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.575 8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 7.971 -10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.561 7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 8.474 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.174 13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.975 12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 11.806 -6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 9.019 -5.309 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 11.610 -0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.107 9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.952 8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 8.561 -0.538 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.260 10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.180 12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 12.992 3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.653 13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 12.736 4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 13.583 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 13.529 8.263 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 9.867 7.319 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 9.606 6.221 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 12.507 1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 13.322 1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.705 15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 13.298 0.548 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 15.885 2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 12.128 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 10.785 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 7.730 3.329 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 5.386 2.473 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 -0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 -1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 -0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 -0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 -0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 -1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 -2.260 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 -0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 -0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 -1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 -0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 -2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.976 -3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 -3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 -2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 -4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 -5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 -6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 -5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 -4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 -6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 -6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 -7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 -5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 -4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 -6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 -5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 -6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 -6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 -7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 -5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 -4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 -5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 -5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 -6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 -4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 -3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 -3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -15.027 21.530 2.819 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -14.827 22.475 3.348 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -16.133 21.732 1.955 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -16.899 21.989 2.472 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -13.725 21.105 2.100 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -12.907 21.195 2.833 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -13.421 22.003 0.975 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -14.054 22.038 0.226 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -12.291 22.811 0.901 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -11.398 22.879 1.767 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -12.159 23.668 -0.348 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -12.127 23.034 -1.245 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -11.237 24.264 -0.306 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -13.015 24.353 -0.433 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -13.777 19.639 1.632 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -14.555 19.532 0.863 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -12.491 19.269 1.100 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -12.519 18.355 0.806 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -14.100 18.717 2.819 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -13.287 18.799 3.557 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -14.191 17.325 2.334 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -15.428 19.109 3.490 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -16.233 19.018 2.742 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -15.361 20.543 3.875 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -15.802 18.284 4.731 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -15.915 17.235 4.432 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -16.767 18.638 5.128 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -14.781 18.409 5.734 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -15.098 18.978 6.441 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -13.219 16.397 2.938 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -13.352 16.344 4.028 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -13.415 14.999 2.321 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -13.357 15.102 1.227 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -14.741 14.470 2.673 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -14.950 14.337 3.622 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -15.725 14.143 1.746 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -15.614 14.256 0.509 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -17.032 13.610 2.313 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -17.490 14.354 2.979 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -17.736 13.384 1.500 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -16.850 12.689 2.886 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -12.307 14.030 2.779 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -12.393 13.867 3.863 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -12.451 12.785 2.070 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -13.312 12.407 2.262 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -10.923 14.619 2.458 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -10.846 14.746 1.367 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -9.869 13.697 2.923 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -10.731 15.985 3.131 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -10.819 15.877 4.223 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -11.835 16.845 2.662 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -9.407 16.671 2.768 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -9.363 16.794 1.679 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -8.564 16.036 3.085 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -9.345 17.945 3.423 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -8.522 18.011 3.912 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -8.957 13.261 1.854 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -8.533 14.129 1.329 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -7.819 12.424 2.467 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -8.270 11.614 3.060 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -7.005 13.266 3.354 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -6.990 12.994 4.296 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -6.230 14.425 3.052 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -6.115 14.937 1.922 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -5.497 15.067 4.219 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -4.794 14.352 4.667 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -6.213 15.386 4.989 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -4.934 15.946 3.878 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -6.942 11.798 1.365 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -6.421 12.599 0.821 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -5.990 10.910 1.978 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -6.459 10.217 2.450 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -7.809 10.992 0.383 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -8.296 10.176 0.941 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -6.960 10.420 -0.682 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -8.895 11.873 -0.250 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -8.425 12.706 -0.794 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -9.683 12.438 0.863 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -9.859 11.114 -1.171 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -10.348 10.322 -0.592 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -9.293 10.649 -1.994 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -10.830 12.033 -1.690 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -11.325 12.417 -0.962 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -7.038 8.952 -0.758 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -8.085 8.624 -0.823 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -6.266 8.442 -1.986 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -5.231 8.811 -1.926 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -6.894 8.959 -3.210 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -7.832 8.730 -3.382 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -6.245 9.760 -4.145 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -5.060 10.138 -4.068 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -7.070 10.193 -5.346 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -7.945 10.773 -5.019 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -7.422 9.315 -5.905 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -6.466 10.819 -6.019 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -6.247 6.898 -2.013 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -7.262 6.536 -2.236 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -5.340 6.475 -3.049 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -4.457 6.793 -2.849 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -5.773 6.288 -0.678 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -4.695 6.472 -0.560 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -6.036 4.875 -0.714 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -5.554 4.480 -1.445 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -6.527 6.872 0.532 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -7.590 6.590 0.470 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -6.443 8.340 0.444 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -5.960 6.464 1.898 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -4.929 6.830 1.974 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -5.950 5.365 1.982 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -6.777 7.036 2.931 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -6.677 6.522 3.736 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_2.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_2.pdb new file mode 100644 index 000000000..7485c4edc --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_2.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_2.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_2.pdb +REMARK =============================================================== +REMARK HADDOCK score: -6.16002 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 236.276, 0, 0, 0, 0, -0.978005, -1.25439, 238.508, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.833296,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 4, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 1.4888 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.07184 +REMARK Internal energy free molecules: 3903.29 +REMARK Internal energy complex: 3903.29 +REMARK Binding energy: -1.16056 +REMARK =============================================================== +REMARK buried surface area: 738.454 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 14.513 4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 9.979 10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 9.854 3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 8.901 6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 8.898 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 7.917 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.961 6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 9.222 -1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 8.524 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 5.456 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 2.637 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 8.164 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 6.897 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 5.338 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 2.679 -8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 -0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 -0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 0.683 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 -0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 -1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 -0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 -0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 -2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 -2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 -3.280 -10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 -3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 -4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 -2.603 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 -2.004 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 -2.628 -11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 -1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 -1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 -0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 -2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 -0.450 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 -2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 -1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 -1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 -1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 -4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 -4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 -4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 -4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 -5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 -6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 -6.897 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 -7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 -6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 -5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 -7.402 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 -7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 -8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 -6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 -5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 -6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 -5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 -6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 -6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 -7.972 -6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 -7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.750 -8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 -5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 -3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 -5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 -6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 -4.408 -6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 -5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 -5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 -6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 -3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.457 -3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 -2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 -2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 -1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 -0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 -1.684 -2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 -1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 -2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 -2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 -3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 -3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 -2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 -3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 -3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 -4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 -4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 -4.911 -1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 -5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 -7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 -7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 -7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 -6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 -7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 -3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 -4.199 0.170 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 -2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 -2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 -1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 -0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 -1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 -1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 -1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 -2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 -2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 -2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 -1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 -2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.051 -2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 -2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 -0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 -0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 -0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 -1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 -0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 -1.045 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 -0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 -2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 -2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 -3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 -3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.778 -3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 -4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 -5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 -3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 -3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 -3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 -3.871 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 -3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 -2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 -4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 -2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 -2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 -1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 -1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 0.678 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 -0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 -0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 -0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 -0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 -0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 -1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 -1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 -2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 -1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 -3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 -1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 -0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 -0.425 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 -2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 -2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 -3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 -4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 -4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 -4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 -5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 -5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 -5.231 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 -5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 -5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 -5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 -5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 -5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 -2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 -3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 -2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 -2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 -2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 -1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 -3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 -4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 -3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 -5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 -0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 -0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 2.996 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 3.974 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 4.302 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 7.936 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 7.852 4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.794 12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 12.149 7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 5.005 10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 2.424 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 1.362 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 -0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 -2.005 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 -1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 -3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 -3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 -3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 -0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 -1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 -0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 -0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 -1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 -0.262 10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 -0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 -0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 -0.288 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 -0.981 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 1.294 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 -2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 -3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 -3.343 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 -2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 -4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 -5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 -5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 -4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 -5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 -5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 -5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 -5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 -4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 -6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 -6.995 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.951 -7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 -8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 -9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 -10.090 9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 -8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 -7.495 9.741 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 -7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 -7.465 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 -7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 -7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 -8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 -7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 -6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 -7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 -6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 -6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 -5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 -5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 -3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 -3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 -1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 -3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 -4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 -3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 -3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 -4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 -5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 -2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 -2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 -1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 -1.194 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 -0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 -0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 -0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 -0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 -0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 -0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 -1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 -2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 -3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 -3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.585 2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 4.888 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 2.707 -1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 -0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 -1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 -0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 -1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 -0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 -0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 2.006 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 -0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 -2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 -0.165 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 -0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 -0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 -0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 -0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 -1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 -2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 -2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 -3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 -4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 -4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 -4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 -3.855 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.343 -4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 -1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 -1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 -1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 -1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 -0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 -0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 -0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 -0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 -1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 -1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 -3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 -3.493 0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 -4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 -5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 -6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 -7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 -8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 -8.584 0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 -9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 -9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 -9.907 -1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 -8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 -10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 -10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 -11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 -4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 -4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 -4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 -3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 -4.244 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 -5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 -6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 -7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 -6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.959 -8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 -7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 -8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 -9.950 -0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 -10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 -3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 -3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 -2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 -2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 -1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 -1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 -2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 -3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 -3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 -4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 -5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 -4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 -2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 -5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 -3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 -5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 2.184 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.059 3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 3.810 1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 -1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 -1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 -0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 -0.249 2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 -2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 -1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 -1.439 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 -2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 -3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 -4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 -4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 -3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 -4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 -5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 -4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 -4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 -5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 -4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 -5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 -3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 -3.099 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 -3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 -1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 -2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 -2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 -3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 -3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 -2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 -4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 -5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 -6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 -6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 -6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 -6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.606 -6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 -7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 -1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 -1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 -1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 -1.289 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 0.121 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 -0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 -0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 -1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 -1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 -2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 -2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 -3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 -0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 0.589 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.822 2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 5.265 -8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 6.324 -9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.868 4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 5.122 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 5.123 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 7.415 -4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.737 10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 11.726 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 4.889 0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 10.035 -1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 5.830 -0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 8.863 1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 10.670 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 12.099 -1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 12.599 -1.985 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 15.157 3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 16.360 4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 9.768 -0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 11.184 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 9.906 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 5.893 -6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 7.771 -4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 4.781 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 4.982 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 8.288 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 3.266 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 -0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 -0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 -0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 -1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 -0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 -1.361 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 -2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 -0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 -0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 -1.697 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 -0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 -1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 -2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 -3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 -3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 -4.595 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 -5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 -4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 -6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 -5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 -6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 -4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 -2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.987 -4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 -2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 -2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 -4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 -3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 -4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 -2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 -5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 -6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 -4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 -3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 -5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 -5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 -5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 -4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 -6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 -7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 -6.046 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 -5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 -6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 -5.673 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 -4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 -3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 -4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 -7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 -8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 -7.971 -10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 -7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 -9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 -8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 -8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.561 -7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 -8.475 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 -10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 -10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 -11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 -12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 -13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 -13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 -11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 -12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.174 -13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 -12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 -11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 -12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.975 -12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 -13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 -14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 -13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 -13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 -14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 -11.806 -6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 -11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 -10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 -10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 -9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 -9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 -8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 -9.019 -5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 -9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 -8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 -7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 -6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 -9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 -5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 -9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 -8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 -10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 -10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 -11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 -11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 -11.610 -0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 -10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 -9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 -9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 -8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 -8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 -8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 -8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 -8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 -7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 -6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 -5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 -4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 -5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 -3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 -2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 -3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 -5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 -3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 -4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 -3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 -8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 -9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 -8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 -8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.107 -9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 -9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 -11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 -10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 -9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 -10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 -8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 -7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 -7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 -6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 -8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 -8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 -8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 -7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 -8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 -8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 -8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 -7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 -9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 -8.561 -0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 -8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 -9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 -10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 -10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 -11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 -11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 -10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 -10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 -10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 -10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 -12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 -12.992 3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 -12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 -13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 -14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 -14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 -13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 -12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 -12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 -12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 -13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.652 -13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 -14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 -12.736 4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 -13.582 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 -11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 -11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 -12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 -11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 -12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 -13.529 8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 -11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 -11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 -12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 -10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 -9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 -9.867 7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 -8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 -8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 -8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 -7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 -9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 -8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 -8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 -9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 -9.606 6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 -9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 -9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 -9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 -9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 -10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 -10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 -8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 -6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 -11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 -11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 -12.507 1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.884 -13.322 1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 -14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.706 -15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 -15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 -15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 -14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 -15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 -13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 -13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 -13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 -13.298 0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 -14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 -15.885 2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 -16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 -16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 -17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 -17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 -18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 -13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 -14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 -12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 -12.128 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 -12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 -11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 -11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 -12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 -12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 -11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 -10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 -11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 -11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 -11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 -10.784 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 -11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 -9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 -9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 -9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 -8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 -10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 -8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 -8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 -7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 -8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 -6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 -6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 -7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 -7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 -7.730 3.329 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 -5.386 2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 -4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 -5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 -6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 -4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 -5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 -4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 -4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 -3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 -2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 -3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 -3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 -3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 -4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 -2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 -1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 -2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 -3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 -2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 -3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 -4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 -2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 -3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 -4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 -4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 -1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 -0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 -2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 -3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 -1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 -1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 -2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 -2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 -4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 -2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 -4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 -4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 -5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 -5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 -0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 -1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 -0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 2.261 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.976 3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 6.944 -7.579 -0.085 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 7.683 -7.671 -0.897 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 5.821 -6.871 -0.586 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 6.099 -6.001 -0.880 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 6.623 -9.003 0.427 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 7.586 -9.517 0.577 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 5.856 -9.767 -0.571 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 4.964 -9.443 -0.817 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 6.316 -10.923 -1.193 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 7.422 -11.458 -0.989 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 5.371 -11.566 -2.196 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 4.429 -11.849 -1.707 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 5.829 -12.468 -2.626 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 5.146 -10.864 -3.012 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 5.887 -8.978 1.779 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 4.901 -8.512 1.646 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 5.744 -10.326 2.263 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 5.286 -10.315 3.106 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 6.699 -8.172 2.806 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 7.663 -8.678 2.965 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 5.950 -8.123 4.078 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 6.961 -6.737 2.315 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 5.988 -6.241 2.165 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 7.618 -6.802 0.984 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 7.825 -5.874 3.248 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 7.307 -5.773 4.209 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 7.945 -4.871 2.810 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 9.111 -6.486 3.437 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 9.772 -5.999 2.938 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 6.645 -8.727 5.227 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 7.599 -8.216 5.422 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 5.738 -8.626 6.468 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 4.766 -9.074 6.213 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 5.527 -7.217 6.829 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 6.310 -6.677 7.068 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 4.283 -6.593 6.854 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 3.198 -7.141 6.576 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 4.276 -5.126 7.254 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 4.887 -4.537 6.556 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 3.250 -4.733 7.242 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 4.686 -5.005 8.267 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 6.336 -9.405 7.657 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 7.278 -8.929 7.966 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 5.391 -9.400 8.744 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 5.213 -8.493 9.006 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 6.607 -10.863 7.252 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 5.649 -11.330 6.976 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 7.203 -11.594 8.387 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 7.558 -10.938 6.049 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 8.518 -10.464 6.305 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 6.931 -10.157 4.967 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 7.790 -12.365 5.534 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 6.822 -12.800 5.257 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 8.236 -12.978 6.333 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 8.664 -12.316 4.399 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 9.399 -12.918 4.537 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 6.428 -12.776 8.796 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 6.251 -13.439 7.936 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 7.205 -13.541 9.884 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 7.447 -12.834 10.693 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 8.455 -14.069 9.323 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 9.279 -13.728 9.732 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 8.655 -15.009 8.269 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 7.748 -15.561 7.618 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 10.099 -15.345 7.932 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 10.605 -15.774 8.808 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 10.639 -14.438 7.624 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 10.140 -16.074 7.111 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 6.351 -14.683 10.467 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 6.174 -15.437 9.686 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 7.057 -15.271 11.576 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 7.204 -14.602 12.249 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 5.002 -14.142 10.971 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 5.200 -13.415 11.774 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 4.184 -15.251 11.503 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 4.233 -13.437 9.845 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 4.046 -14.146 9.024 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 5.114 -12.368 9.337 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 2.918 -12.789 10.296 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 3.139 -12.054 11.079 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 2.251 -13.560 10.715 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 2.299 -12.155 9.168 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 2.884 -11.475 8.825 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 3.802 -15.064 12.912 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 3.336 -14.079 13.058 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 2.820 -16.164 13.347 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 3.287 -17.143 13.158 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 1.584 -16.057 12.560 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 1.073 -15.222 12.611 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 1.088 -17.067 11.740 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 1.621 -18.181 11.569 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -0.208 -16.761 11.007 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -0.079 -15.887 10.353 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -1.012 -16.545 11.725 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -0.511 -17.619 10.390 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 2.500 -16.043 14.853 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 1.892 -15.140 15.013 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 1.757 -17.211 15.253 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 2.294 -17.994 15.111 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 3.771 -15.958 15.723 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 4.269 -16.939 15.731 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 3.377 -15.590 17.056 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 2.781 -16.256 17.407 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 4.757 -14.887 15.217 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 4.296 -13.892 15.315 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 4.988 -15.138 13.783 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 6.126 -14.898 15.909 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 6.605 -15.868 15.725 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 5.993 -14.772 16.995 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 6.925 -13.831 15.377 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 7.602 -13.592 16.014 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_20.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_20.pdb new file mode 100644 index 000000000..2aa2da3b5 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_20.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_20.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_20.pdb +REMARK =============================================================== +REMARK HADDOCK score: -19.6721 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 213.087, 0, 0, 0, 0, -13.1493, -2.41204, 228.649, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.732184,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 5, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 1, 0.383192 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.46259 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -14.0987 +REMARK =============================================================== +REMARK buried surface area: 785.983 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 14.513 4.128 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 9.978 10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 9.854 3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 8.901 6.673 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 8.898 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 7.917 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.960 6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 9.222 -1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 8.525 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 5.456 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 2.637 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 8.165 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 6.897 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 5.338 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 2.679 -8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 -0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 -0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 0.683 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 -0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 -1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 -0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 -0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 -2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 -2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 -3.280 -10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 -3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 -4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 -2.602 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 -2.003 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 -2.628 -11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 -1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 -1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 -0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 -2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 -0.450 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 -2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 -1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 -1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 -1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 -4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 -4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 -4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 -4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 -5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 -6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 -6.897 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 -7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 -6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 -5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 -7.402 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 -7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 -8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 -6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 -5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 -6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 -5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 -6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 -6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 -7.972 -6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 -7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.751 -8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 -5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 -3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 -5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 -6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 -4.408 -6.376 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 -5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 -5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 -6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 -3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.457 -3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 -2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 -2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 -1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 -0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 -1.684 -2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 -1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 -2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 -2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 -3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 -3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 -2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 -3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 -3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 -4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 -4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 -4.911 -1.209 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 -5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 -7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 -7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 -7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 -6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 -7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 -3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 -4.199 0.170 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 -2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 -2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 -1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 -0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 -1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 -1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 -1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 -2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 -2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 -2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 -1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 -2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.052 -2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 -2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 -0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 -0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 -0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 -1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 -0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 -1.045 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 -0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 -2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 -2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 -3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 -3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.778 -3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 -4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 -5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 -3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 -3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 -3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 -3.871 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 -3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 -2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 -4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 -2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 -2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 -1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 -1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 0.677 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 -0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 -0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 -0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 -0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 -0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 -1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 -1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 -2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 -1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 -3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 -1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 -0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 -0.426 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 -2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 -2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 -3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 -4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 -4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 -4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 -5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 -5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 -5.231 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 -5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 -5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 -5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 -5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 -5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 -2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 -3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 -2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 -2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 -2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 -1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 -3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 -4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 -3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 -5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 -0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 -0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 2.995 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 3.973 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 4.301 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 7.936 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 7.852 4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.795 12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 12.149 7.456 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 5.005 10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 2.423 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 1.361 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 -0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 -2.006 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 -1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 -3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 -3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 -3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 -0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 -1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 -0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 -0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 -1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 -0.262 10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 -0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 -0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 -0.289 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 -0.981 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 1.293 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 -2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 -3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 -3.343 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 -2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 -4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 -5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 -5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 -4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 -5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 -5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 -5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 -5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 -4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 -6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 -6.996 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.951 -7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 -8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 -9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 -10.090 9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 -8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 -7.495 9.740 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 -7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 -7.466 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 -7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 -7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 -8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 -7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 -6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 -7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 -6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 -6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 -5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 -5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 -3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 -3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 -1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 -3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 -4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 -3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 -3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 -4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 -5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 -2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 -2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 -1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 -1.195 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 -0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 -0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 -0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 -0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 -0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 -0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 -1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 -2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 -3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 -3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.585 2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 4.887 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 2.707 -1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 -0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 -1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 -0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 -1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 -0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 -0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 2.005 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 -0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 -2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 -0.166 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 -0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 -0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 -0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 -0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 -1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 -2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 -2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 -3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 -4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 -4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 -4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 -3.856 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.343 -4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 -1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 -1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 -1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 -1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 -0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 -0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 -0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 -0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 -1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 -1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 -3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 -3.493 0.617 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 -4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 -5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 -6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 -7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 -8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 -8.584 0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 -9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 -9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 -9.907 -1.844 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 -8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 -10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 -10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 -11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 -4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 -4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 -4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 -3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 -4.244 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 -5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 -6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 -7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 -6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.958 -8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 -7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 -8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 -9.950 -0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 -10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 -3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 -3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 -2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 -2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 -1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 -1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 -2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 -3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 -3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 -4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 -5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 -4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 -2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 -5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 -3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 -5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 2.183 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.059 3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 3.810 1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 -1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 -1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 -0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 -0.249 2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 -2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 -1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 -1.440 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 -2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 -3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 -4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 -4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 -3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 -4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 -5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 -4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 -4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 -5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 -4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 -5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 -3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 -3.099 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 -3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 -1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 -2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 -2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 -3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 -3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 -2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 -4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 -5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 -6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 -6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 -6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 -6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.605 -6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 -7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 -1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 -1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 -1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 -1.289 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 0.121 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 -0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 -0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 -1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 -1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 -2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 -2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 -3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 -0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 0.589 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.821 2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 5.266 -8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 6.324 -9.404 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.868 4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 5.122 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 5.123 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 7.415 -4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.738 10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 11.726 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 4.889 0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 10.035 -1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.832 10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.121 11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.871 8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 5.830 -0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 8.863 1.375 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 10.669 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 12.099 -1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 12.599 -1.985 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 15.157 3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 16.360 4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 9.768 -0.428 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 11.184 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 9.907 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 5.893 -6.211 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 7.771 -4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 4.781 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 4.983 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 8.288 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 3.267 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 -0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 -0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 -0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 -1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 -0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 -1.360 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 -2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 -0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 -0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 -1.697 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 -0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 -1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 -2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 -3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 -3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 -4.595 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 -5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 -4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 -6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 -5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 -6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 -4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 -2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.987 -4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 -2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 -2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 -4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 -3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 -4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 -2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 -5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 -6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 -4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 -3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 -5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 -5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 -5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 -4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 -6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 -7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 -6.046 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 -5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 -6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 -5.673 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 -4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 -3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 -4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 -7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 -8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 -7.971 -10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 -7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 -9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 -8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 -8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.560 -7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 -8.474 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 -10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 -10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 -11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 -12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 -13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 -13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 -11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 -12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.173 -13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 -12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 -11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 -12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.974 -12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 -13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 -14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 -13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 -13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 -14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 -11.806 -6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 -11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 -10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 -10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 -9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 -9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 -8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 -9.019 -5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 -9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 -8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 -7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 -6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 -9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 -5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 -9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 -8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 -10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 -10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 -11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 -11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 -11.610 -0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 -10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 -9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 -9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 -8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 -8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 -8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 -8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 -8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 -7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 -6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 -5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 -4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 -5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 -3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 -2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 -3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 -5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 -3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 -4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 -3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 -8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 -9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 -8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 -8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.106 -9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 -9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 -11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 -10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 -9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 -10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 -8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 -7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 -7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 -6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 -8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 -8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 -8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 -7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 -8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 -8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 -8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 -7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 -9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 -8.561 -0.538 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 -8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 -9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 -10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 -10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 -11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 -11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 -10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 -10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 -10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 -10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 -12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 -12.992 3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 -12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 -13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 -14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 -14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 -13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 -12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 -12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 -12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 -13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.652 -13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 -14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 -12.736 4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 -13.582 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 -11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 -11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 -12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 -11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 -12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 -13.529 8.263 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 -11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 -11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 -12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 -10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 -9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 -9.867 7.319 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 -8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 -8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 -8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 -7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 -9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 -8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 -8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 -9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 -9.606 6.221 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 -9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 -9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 -9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 -9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 -10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 -10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 -8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 -6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 -11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 -11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 -12.507 1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.885 -13.322 1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 -14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.706 -15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 -15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 -15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 -14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 -15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 -13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 -13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 -13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 -13.298 0.548 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 -14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 -15.885 2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 -16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 -16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 -17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 -17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 -18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 -13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 -14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 -12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 -12.128 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 -12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 -11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 -11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 -12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 -12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 -11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 -10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 -11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 -11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 -11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 -10.784 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 -11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 -9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 -9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 -9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 -8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 -10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 -8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 -8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 -7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 -8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 -6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 -6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 -7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 -7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 -7.730 3.329 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 -5.386 2.473 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 -4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 -5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 -6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 -4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 -5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 -4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 -4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 -3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 -2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 -3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 -3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 -3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 -4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 -2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 -1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 -2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 -3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 -2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 -3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 -4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 -2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 -3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 -4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 -4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 -1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 -0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 -2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 -3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 -1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 -1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 -2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 -2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 -4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 -2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 -4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 -4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 -5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 -5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 -0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 -1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 -0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 2.261 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.975 3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 10.230 -19.754 -6.936 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 10.501 -19.869 -7.998 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 10.602 -20.941 -6.253 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 10.135 -21.687 -6.634 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 10.917 -18.473 -6.409 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 10.723 -17.676 -7.144 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 12.376 -18.652 -6.314 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 12.720 -19.327 -5.692 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 13.303 -17.923 -7.052 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 13.024 -17.034 -7.880 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 14.766 -18.258 -6.809 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 15.027 -18.085 -5.756 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 15.410 -17.628 -7.438 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 14.962 -19.312 -7.051 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 10.333 -18.019 -5.058 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 10.556 -18.777 -4.294 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 10.915 -16.753 -4.695 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 10.554 -16.467 -3.852 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 8.810 -17.843 -5.174 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 8.606 -17.047 -5.907 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 8.270 -17.455 -3.856 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 8.128 -19.141 -5.641 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 8.338 -19.928 -4.897 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 8.757 -19.578 -6.914 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 6.609 -19.043 -5.852 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 6.140 -18.784 -4.895 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 6.222 -20.021 -6.175 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 6.311 -18.043 -6.840 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 6.050 -18.472 -7.658 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 7.593 -16.147 -3.828 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 6.737 -16.133 -4.518 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 7.109 -15.868 -2.392 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 7.973 -15.970 -1.718 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 6.088 -16.851 -2.000 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 5.259 -16.892 -2.522 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 6.221 -17.733 -0.932 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 7.211 -17.805 -0.178 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 5.051 -18.675 -0.690 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 4.880 -19.305 -1.573 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 5.258 -19.325 0.171 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 4.137 -18.100 -0.485 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 6.556 -14.434 -2.262 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 5.652 -14.336 -2.882 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 6.249 -14.174 -0.879 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 5.591 -14.804 -0.576 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 7.610 -13.416 -2.729 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 8.493 -13.510 -2.079 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 7.064 -12.050 -2.626 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 8.034 -13.682 -4.180 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 7.158 -13.605 -4.843 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 8.528 -15.071 -4.228 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 9.157 -12.760 -4.673 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 10.026 -12.881 -4.015 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 8.822 -11.711 -4.624 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 9.493 -13.112 -6.022 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 9.460 -12.326 -6.573 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 7.863 -11.160 -1.769 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 8.914 -11.153 -2.094 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 7.291 -9.733 -1.844 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 6.218 -9.780 -1.602 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 7.447 -9.206 -3.207 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 6.612 -8.988 -3.673 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 8.635 -8.960 -3.958 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 9.795 -9.168 -3.554 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 8.441 -8.403 -5.359 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 7.916 -7.439 -5.317 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 7.848 -9.099 -5.968 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 9.414 -8.251 -5.847 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 7.986 -8.808 -0.826 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 9.042 -8.688 -1.110 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 7.320 -7.532 -0.828 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 6.401 -7.652 -0.579 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 7.902 -9.408 0.588 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 6.839 -9.489 0.866 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 8.595 -8.525 1.548 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 8.533 -10.806 0.636 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 9.592 -10.745 0.339 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 7.823 -11.624 -0.366 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 8.402 -11.506 1.994 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 7.338 -11.597 2.241 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 8.894 -10.898 2.771 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 9.014 -12.801 1.913 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 8.564 -13.324 1.244 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 7.721 -8.052 2.635 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 7.215 -8.900 3.119 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 8.542 -7.281 3.681 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 9.072 -6.461 3.173 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 9.524 -8.185 4.296 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 9.192 -8.980 4.764 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 10.902 -7.988 4.256 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 11.475 -7.031 3.701 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 11.750 -9.039 4.954 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 11.580 -10.027 4.503 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 11.492 -9.092 6.021 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 12.817 -8.791 4.864 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 7.618 -6.686 4.766 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 7.215 -7.508 5.376 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 8.401 -5.802 5.592 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 8.749 -5.088 5.053 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 6.448 -5.878 4.169 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 6.837 -4.942 3.741 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 5.517 -5.592 5.226 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 5.957 -5.078 5.908 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 5.690 -6.662 3.080 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 5.207 -7.541 3.534 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 6.685 -7.147 2.107 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 4.654 -5.840 2.303 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 5.169 -5.021 1.787 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 3.921 -5.409 3.004 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 3.995 -6.697 1.358 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 3.137 -6.327 1.136 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_3.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_3.pdb new file mode 100644 index 000000000..be777240a --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_3.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_3.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_3.pdb +REMARK =============================================================== +REMARK HADDOCK score: -39.6076 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 37.9491, 0, 0, 0, 0, -28.8629, 0.21105, 66.6009, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.408424,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 1, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 0.544688 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: -0.972332 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -29.6242 +REMARK =============================================================== +REMARK buried surface area: 1064.95 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 -12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 -11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 -12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 -13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 -13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 -13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 -13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 -14.513 4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 -14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 -14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 -15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 -11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 -10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 -11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 -12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 -10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 -9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 -8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 -9.979 10.438 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 -10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 -11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 -9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 -8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 -9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 -8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 -9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 -9.854 3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 -10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 -10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 -10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 -11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 -11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 -12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 -8.901 6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 -8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 -9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 -10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 -8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 -10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 -9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 -9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 -9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 -7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 -7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 -6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 -6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 -5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 -4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 -3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 -2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 -3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 -3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 -3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 -2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 -2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 -2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 -3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 -4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 -3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 -5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 -5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 -6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 -7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 -7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 -8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 -8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 -7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 -6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 -8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 -8.898 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 -9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 -10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 -11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 -12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 -12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 -13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 -9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 -9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 -8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 -7.917 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 -7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 -6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 -5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 -6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 -4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.960 -6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 -6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 -5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 -5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 -5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 -4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 -5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 -5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 -7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 -7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 -8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 -9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 -9.222 -1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 -10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 -11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 -12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 -11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 -10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 -11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 -10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 -12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 -12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 -12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 -8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 -8.524 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 -8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 -8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 -8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 -9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 -7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 -7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 -6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 -6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 -5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 -4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 -4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 -2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 -4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 -5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 -4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 -5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 -5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 -5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 -5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 -5.455 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 -4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 -3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 -2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 -1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 -2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 -2.636 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 -6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 -5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 -7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 -7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 -8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 -9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 -8.164 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 -8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 -7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 -7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 -7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 -6.896 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 -8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 -8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 -5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 -5.338 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 -5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 -5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 -3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 -2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 -1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 -2.679 -8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 -3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 -1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 -1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 -2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 -1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 -0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 -0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 -0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 -1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 -0.682 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 -0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 3.280 -10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 2.603 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 2.004 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 2.628 -11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 0.450 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 6.898 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 7.403 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 7.972 -6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.751 8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 4.408 -6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.641 6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.457 3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 -1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 -1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 -2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 1.684 -2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 4.911 -1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 4.199 0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.052 2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 -0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 -1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 -1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 1.044 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.777 3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 3.870 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 -0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 -1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 -1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 -0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 -0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 -0.678 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 0.425 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 5.230 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 -0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 -0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 -1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 -2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 -2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 -2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 -2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 -3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 -1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 -1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 -2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 -2.996 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 -1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.110 -1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 -3.974 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 -5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 -3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 -3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 -5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 -5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 -4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 -3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 -4.302 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 -2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 -3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 -2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 -1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 -2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 -6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 -7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 -5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 -5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 -7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 -6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 -7.937 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 -8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 -7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 -6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 -8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 -6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 -6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 -7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 -8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 -8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 -9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 -10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 -11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 -9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 -8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 -7.852 4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 -8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 -8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 -8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 -9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 -11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.795 -12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 -13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 -12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 -12.149 7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 -13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 -7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 -7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 -6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 -6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 -5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 -4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 -4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 -4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 -4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 -4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 -3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 -4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 -5.005 10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 -5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 -5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 -2.424 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 -2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 -1.362 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 -1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.298 -0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 2.005 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 0.262 10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 0.288 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 0.980 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 -0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 -1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 -1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 -2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 -1.294 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 -0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 -2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 3.342 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 6.995 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 10.090 9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 7.495 9.741 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 7.465 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 1.194 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 -0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 -0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 -1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 -1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 -1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 -1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 -1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 -1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 -2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 -3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 -3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 -4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 -2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 -4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.585 -2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 -3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 -4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 -3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 -3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 -2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 -4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 -4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 -4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 -3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 -2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 -4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 -5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 -3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 -4.888 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 -4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 -4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 -5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 -2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 -1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 -1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 -2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 -0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 -0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 -1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 -1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 -2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 -1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 -3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 -2.707 -1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 -0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 -1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 -0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 -1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 -2.006 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 -2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 0.165 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 -0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 -0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 -1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 -0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 3.855 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 3.493 0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 8.584 0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 9.907 -1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 4.244 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 9.950 -0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 -0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 -0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 -0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 -0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 -2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 -2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 -1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 -2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 -2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 -3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 -4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 -3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 -4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 -4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 -3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 -5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 -4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 -5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 -3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 -2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 -4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 -3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 -2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 -2.184 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 -2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 -4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 -5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 -4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.059 -3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 -4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 -3.810 1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 -4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 -2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 -2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 -2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 -2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 -2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 -2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 -2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 -1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 -3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 -4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 -4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 -4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 -2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 -2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 -3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 -0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 -0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 -0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 -0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 0.249 2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 1.440 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 3.100 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.605 6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 1.289 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 -0.120 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 -1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 -2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 -2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 -3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 -3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 -4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 -0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 -0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 -0.589 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 -0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 -1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 -2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 -3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 -2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 -0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 -2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 -2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 -3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 -5.265 -8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 -6.324 -9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 -5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 -4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 -6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 -6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 -5.121 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 -6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 -5.123 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 -6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 -5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 -7.415 -4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 -8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 -7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 -8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 -9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 -9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 -10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 -11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 -9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 -8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 -8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 -7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 -10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 -11.726 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 -10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 -7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 -7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 -6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 -6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 -5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 -7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 -6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 -4.889 0.548 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 -3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 -8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 -8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 -9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 -10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 -10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 -11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 -9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 -10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 -9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 -9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 -10.035 -1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 -9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 -10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 -10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 -9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 -11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 -11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 -11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 -9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 -9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 -8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 -7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 -7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 -5.830 -0.313 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 -5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 -3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 -5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 -7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 -7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 -8.863 1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 -9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 -9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 -9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 -8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 -8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 -7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 -10.669 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 -11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 -11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 -10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 -12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 -13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 -12.099 -1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 -12.599 -1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 -13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.974 -12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 -11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 -13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 -14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 -13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 -14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 -15.157 3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 -14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 -16.360 4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 -13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 -12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 -13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 -14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 -13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 -14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 -13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 -13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 -13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 -11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 -11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 -11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 -11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 -9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 -8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 -8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 -9.768 -0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 -7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 -9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 -8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 -10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 -11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 -9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 -11.183 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 -11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 -12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 -10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 -8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 -7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 -9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 -9.906 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 -8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 -8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 -8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 -10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 -6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 -5.893 -6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 -6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 -7.771 -4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 -5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 -5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 -4.781 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 -3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 -5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 -6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 -4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 -5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 -5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 -4.982 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 -6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 -4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 -2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 -4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 -5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 -4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 -5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 -5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 -6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 -7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 -7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 -8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 -9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 -10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 -9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 -9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 -9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 -8.287 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 -3.266 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 -2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 -3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 -4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 -2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 -0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 -2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 -1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 -1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 -1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 -0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 -0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 -1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 -0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 -1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 -2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 -2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 -4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 -4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 -3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 -4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 1.361 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 1.698 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 4.596 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 6.046 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 5.673 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.272 4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 7.971 -10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.560 7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 8.475 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.173 13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.974 12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 11.806 -6.340 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.673 10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 9.019 -5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 11.610 -0.662 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.106 9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.953 8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 8.561 -0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.261 10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 12.992 3.062 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.652 13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 12.736 4.471 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 13.582 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 13.529 8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 9.867 7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 9.606 6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 12.507 1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.885 13.322 1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.706 15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 13.298 0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 15.885 2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 12.127 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 10.784 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 7.730 3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 5.386 2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 -0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 -1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 -0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 -0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 -0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 -1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 -2.261 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 -0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 -0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 -1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 -0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 -2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 -3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 -3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 -2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 -4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 -5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 -6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 -5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 -4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 -6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 -6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 -7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 -5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 -4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 -6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 -5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 -6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 -6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 -7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 -5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 -4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 -5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 -5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 -6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 -4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 -3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 -3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -9.455 10.271 -8.314 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -9.153 9.565 -9.104 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -10.499 11.086 -8.823 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -10.182 11.566 -9.591 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -9.843 9.445 -7.065 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -9.042 8.707 -6.904 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -11.098 8.707 -7.284 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -11.918 9.223 -7.438 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -11.199 7.320 -7.286 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -10.253 6.529 -7.106 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -12.588 6.749 -7.530 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -13.284 7.093 -6.754 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -12.556 5.651 -7.512 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -12.966 7.073 -8.510 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -9.936 10.320 -5.801 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -10.762 11.036 -5.917 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -10.162 9.474 -4.658 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -10.221 10.016 -3.868 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -8.620 11.087 -5.592 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -7.813 10.357 -5.429 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -8.753 11.953 -4.403 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -8.274 11.954 -6.816 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -9.088 12.682 -6.964 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -8.250 11.086 -8.022 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -6.938 12.707 -6.726 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -6.982 13.395 -5.874 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -6.790 13.299 -7.644 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -5.856 11.776 -6.562 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -5.368 11.707 -7.386 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -7.800 11.662 -3.319 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -6.764 11.784 -3.664 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -8.074 12.620 -2.144 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -9.139 12.532 -1.878 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -7.804 14.008 -2.547 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -6.894 14.240 -2.830 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -8.759 15.020 -2.556 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -9.954 14.885 -2.227 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -8.279 16.391 -3.007 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -7.894 16.341 -4.035 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -9.107 17.114 -2.977 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -7.476 16.750 -2.349 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -7.230 12.242 -0.911 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -6.164 12.387 -1.142 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -7.622 13.072 0.199 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -7.473 13.994 -0.026 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -7.475 10.772 -0.532 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -8.539 10.654 -0.275 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -6.644 10.411 0.632 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -7.141 9.834 -1.700 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -6.082 9.949 -1.978 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -7.968 10.270 -2.841 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -7.460 8.360 -1.418 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -8.526 8.271 -1.177 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -6.873 8.014 -0.552 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -7.139 7.581 -2.579 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -6.564 6.855 -2.325 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -7.423 9.920 1.780 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -8.077 9.089 1.477 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -6.458 9.440 2.880 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -5.758 10.259 3.103 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -5.696 8.279 2.401 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -4.724 8.404 2.352 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -6.156 6.992 1.995 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -7.347 6.627 1.980 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -5.088 6.006 1.549 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -4.377 5.819 2.365 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -4.537 6.406 0.686 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -5.548 5.051 1.259 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -7.227 9.085 4.168 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -7.868 8.213 3.977 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -6.277 8.788 5.209 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -5.725 9.557 5.364 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -8.097 10.271 4.618 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -7.434 11.123 4.836 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -8.848 9.908 5.837 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -9.084 10.684 3.517 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -9.741 9.835 3.271 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -8.276 10.999 2.322 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -9.922 11.922 3.859 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -9.245 12.762 4.051 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -10.510 11.729 4.771 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -10.792 12.216 2.757 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -10.264 12.398 1.975 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -8.569 10.799 6.976 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -8.706 11.851 6.684 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -9.503 10.468 8.151 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -9.381 9.404 8.404 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -10.896 10.716 7.756 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -11.144 11.623 7.478 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -11.892 9.744 7.746 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -11.735 8.550 8.069 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -13.273 10.202 7.304 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -13.234 10.593 6.277 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -13.643 10.996 7.968 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -13.981 9.362 7.332 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -9.143 11.321 9.387 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -9.419 12.367 9.186 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -9.894 10.826 10.513 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -9.649 9.914 10.682 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -7.643 11.251 9.740 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -7.414 10.254 10.145 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -7.367 12.263 10.722 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -7.897 12.099 11.506 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -6.742 11.527 8.520 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -6.891 12.564 8.184 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -7.178 10.633 7.433 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -5.249 11.265 8.755 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -5.112 10.205 9.004 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -4.895 11.873 9.603 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -4.524 11.602 7.562 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -3.611 11.795 7.789 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_4.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_4.pdb new file mode 100644 index 000000000..c22258b86 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_4.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_4.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_4.pdb +REMARK =============================================================== +REMARK HADDOCK score: -38.3459 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 4.48275, 0, 0, 0, 0, -29.4875, -0.417196, 34.3874, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.276435,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 1, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 0.890767 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: -0.493403 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -30.3981 +REMARK =============================================================== +REMARK buried surface area: 829.169 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 9.854 -3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.960 6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 9.222 1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 2.637 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 6.897 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 -0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 -0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 0.683 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 -0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 -1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.666 0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 -0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 -0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 -2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 -2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 -3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 -3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 -4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 -2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 -2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 -2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 -1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 -1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 -0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 -2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 -0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 -2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 -1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 -1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 -1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 -4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 -4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 -4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 -4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 -5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 -6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 -6.897 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 -7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 -6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 -5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 -7.402 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 -7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 -8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 -6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 -5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 -6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 -5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 -6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 -6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 -7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 -7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.750 -8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 -5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 -3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 -5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 -6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 -4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 -5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 -5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.640 -6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 -3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.456 -3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 -2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 -2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 -1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 -0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 -1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 -1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 -2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 -2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 -3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 -3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 -2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 -3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 -3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 -4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 -4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 -4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 -5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 -7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 -7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 -7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 -6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 -7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 -3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 -4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 -2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 -2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 -1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 -0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 -1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 -1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 -1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 -2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 -2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 -2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 -1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 -2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.051 -2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 -2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 -0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 -0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 -0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 -1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 -0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 -1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 -0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 -2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 -2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 -3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 -3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.777 -3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 -4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 -5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 -3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 -3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 -3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 -3.871 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 -3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 -2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 -4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 -2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 -2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 -1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 -1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 -0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 -0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 -0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 -0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 -0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 -1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 -1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 -2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 -1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 -3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 -1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 -0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 -0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 -2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 -2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 -3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 -4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 -4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 -4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 -5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 -5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 -5.231 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 -5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 -5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 -5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 -5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 -5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 -2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 -3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 -2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 -2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 -2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 -1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 -3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 -4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 -3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 -5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 -0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 -0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 7.936 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.794 12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 5.005 -10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 -0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 -2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 -1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 -3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 -3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 -3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 -0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 -1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 -0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 -0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 -1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.924 -0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 -0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 -0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 -0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 -0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 -2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 -3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 -3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 -2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 -4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 -5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 -5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 -4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 -5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 -5.968 -9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 -5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 -5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 -4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 -6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 -6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.951 -7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 -8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 -9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 -10.090 -9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 -8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 -7.495 -9.740 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 -7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 -7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 -7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 -7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 -8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 -7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 -6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 -7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 -6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 -6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 -5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 -5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 -3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 -3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 -1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 -3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 -4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 -3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 -3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 -4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 -5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 -2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 -2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 -1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 -1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 -0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 -0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 -0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 -0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 -0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 -0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 -1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 -2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 -3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 -3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.584 2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 -0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 -1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 -0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 -1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 -0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 -0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 -0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 -2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 -0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 -0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 -0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 -0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 -0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 -1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 -2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 -2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 -3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 -4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 -4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 -4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 -3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.343 -4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 -1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 -1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 -1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 -1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 -0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 -0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 -0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 -0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 -1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 -1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 -3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 -3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 -4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 -5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 -6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 -7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 -8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 -8.584 -0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 -9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 -9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 -9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 -8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 -10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 -10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 -11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 -4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 -4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 -4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 -3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 -4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 -5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 -6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 -7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 -6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 -8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 -7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 -8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 -9.950 0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 -10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 -3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 -3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 -2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 -2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 -1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 -1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 -2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 -3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 -3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 -4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 -5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 -4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 -2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 -5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 -3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 -5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.058 3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 -1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 -1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 -0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 -0.249 -2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 -2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 -1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 -1.439 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 -2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 -3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 -4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 -4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 -3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 -4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 -5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 -4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 -4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 -5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 -4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 -5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 -3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 -3.099 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 -3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 -1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 -2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 -2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 -3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 -3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 -2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 -4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 -5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 -6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 -6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 -6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 -6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.605 -6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 -7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 -1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 -1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 -1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 -1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 0.121 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 -0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 -0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 -1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 -1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 -2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 -2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 -3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 -0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 5.122 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 10.035 1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 10.669 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.974 12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 15.157 -3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 14.330 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 16.360 -4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 11.184 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 5.893 6.211 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 7.771 4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 -0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 -0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 -0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 -1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 -0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 -1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 -2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 -0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 -0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 -1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 -0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 -1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 -2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 -3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 -3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 -4.595 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 -5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 -4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 -6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 -5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 -6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 -4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 -2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 -4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 -2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 -2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 -4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 -3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 -4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 -2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 -5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 -6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 -4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 -3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 -5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 -5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 -5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 -4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 -6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 -7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 -6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 -5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 -6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 -5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.273 -4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 -3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 -4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 -7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 -8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 -7.971 10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 -7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 -9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 -8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 -8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.561 -7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 -8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 -10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 -10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 -11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 -12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 -13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 -13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 -11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 -12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.174 -13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 -12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 -11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 -12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.975 -12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 -13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 -14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 -13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 -13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 -14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 -11.806 6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 -11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 -10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 -10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 -9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 -9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 -8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 -9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 -9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 -8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 -7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 -6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 -9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 -5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 -9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 -8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 -10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 -10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 -11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 -11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 -11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 -10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 -9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 -9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 -8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 -8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 -8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 -8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 -8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 -7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 -6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 -5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 -4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 -5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 -3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 -2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 -3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 -5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 -3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 -4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 -3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 -8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 -9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 -8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 -8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.107 -9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 -9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 -11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 -10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 -9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 -10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 -8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 -7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 -7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 -6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 -8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 -8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 -8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 -7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.952 -8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 -8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 -8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 -7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 -9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 -8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 -8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 -9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 -10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 -10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 -11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 -11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 -10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 -10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 -10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.260 -10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 -12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 -12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 -12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 -13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 -14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 -14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 -13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 -12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 -12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 -12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 -13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.652 -13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 -14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 -12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 -13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 -11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 -11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 -12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 -11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 -12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 -13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 -11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 -11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 -12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 -10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 -9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 -9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 -8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 -8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 -8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 -7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 -9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 -8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 -8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 -9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 -9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 -9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 -9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 -9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 -9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 -10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 -10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 -8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 -6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 -11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 -11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 -12.507 -1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 -13.322 -1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 -14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.705 -15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 -15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 -15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 -14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 -15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 -13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 -13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 -13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 -13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 -14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 -15.885 -2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 -16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 -16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 -17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 -17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 -18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 -13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 -14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 -12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 -12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 -12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 -11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 -11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 -12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 -12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 -11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 -10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 -11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 -11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 -11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 -10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 -11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 -9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 -9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 -9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 -8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 -10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 -8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 -8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 -7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 -8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 -6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 -6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 -7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 -7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 -7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 -5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 -4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 -5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 -6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 -4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 -5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 -4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 -4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 -3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 -2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 -3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 -3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 -3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 -4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 -2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 -1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 -2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 -3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 -2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 -3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 -4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 -2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 -3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 -4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 -4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 -1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 -0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 -2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 -3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 -1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 -1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 -2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 -2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 -4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 -2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 -4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 -4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 -5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 -5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 -0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 -1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 -0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 2.260 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 6.078 -1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -8.086 -6.153 -4.403 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -8.139 -5.053 -4.359 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -7.553 -6.520 -5.665 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -8.124 -6.189 -6.361 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -7.251 -6.635 -3.194 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -7.637 -6.110 -2.305 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -5.832 -6.274 -3.348 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -5.334 -6.666 -4.097 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -5.147 -5.411 -2.500 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -5.638 -4.837 -1.509 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -3.683 -5.167 -2.830 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -3.123 -6.112 -2.803 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -3.239 -4.474 -2.102 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -3.586 -4.730 -3.834 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -7.408 -8.148 -2.951 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -6.986 -8.697 -3.804 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -6.721 -8.503 -1.736 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -6.816 -9.446 -1.582 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -8.895 -8.506 -2.797 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -9.289 -7.987 -1.910 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -9.020 -9.966 -2.614 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -9.707 -8.078 -4.032 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -9.304 -8.607 -4.911 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -9.485 -6.627 -4.267 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -11.219 -8.334 -3.941 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -11.384 -9.413 -3.833 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -11.703 -8.001 -4.873 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -11.774 -7.630 -2.819 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -12.270 -6.870 -3.133 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -9.635 -10.377 -1.340 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -10.654 -9.976 -1.249 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -9.674 -11.916 -1.280 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -8.653 -12.287 -1.456 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -10.554 -12.443 -2.334 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -11.500 -12.185 -2.320 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -10.132 -13.288 -3.355 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -8.967 -13.704 -3.510 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -11.198 -13.723 -4.350 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -11.632 -12.847 -4.852 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -10.762 -14.385 -5.111 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -12.003 -14.265 -3.833 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -10.139 -12.405 0.106 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -11.182 -12.097 0.270 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -10.025 -13.840 0.160 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -10.577 -14.229 -0.523 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -9.248 -11.803 1.206 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -8.215 -12.148 1.042 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -9.715 -12.255 2.530 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -9.271 -10.269 1.160 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -10.300 -9.907 1.309 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -8.837 -9.881 -0.195 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -8.323 -9.608 2.170 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -7.303 -9.960 1.977 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -8.609 -9.902 3.192 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -8.401 -8.184 2.022 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -8.579 -7.784 2.877 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -8.684 -12.960 3.308 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -7.774 -12.348 3.387 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -9.227 -13.260 4.717 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -10.183 -13.795 4.610 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -9.465 -12.002 5.436 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -10.395 -11.835 5.697 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -8.543 -10.981 5.815 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -7.320 -10.995 5.580 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -9.127 -9.792 6.562 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -9.598 -10.123 7.497 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -9.885 -9.289 5.944 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -8.335 -9.069 6.804 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -8.248 -14.153 5.504 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -7.319 -13.595 5.689 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -8.862 -14.529 6.751 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -9.671 -15.014 6.574 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -7.927 -15.430 4.707 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -8.864 -15.990 4.561 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -6.968 -16.263 5.460 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -7.336 -15.091 3.331 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -6.409 -14.511 3.460 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -8.323 -14.233 2.647 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -7.078 -16.314 2.443 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -8.025 -16.844 2.292 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -6.370 -16.992 2.946 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -6.541 -15.874 1.188 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -7.175 -15.297 0.755 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -7.479 -17.613 5.753 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -7.837 -18.097 4.832 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -6.374 -18.474 6.386 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -6.000 -17.957 7.283 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -5.273 -18.640 5.428 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -5.468 -19.066 4.567 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -3.963 -18.229 5.662 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -3.558 -17.674 6.702 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -2.967 -18.493 4.543 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -3.280 -17.974 3.625 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -2.905 -19.569 4.333 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -1.969 -18.132 4.828 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -6.930 -19.854 6.799 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -7.153 -20.431 5.888 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -5.924 -20.534 7.574 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -5.735 -20.026 8.366 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -8.209 -19.746 7.655 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -7.944 -19.362 8.651 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -8.786 -21.058 7.764 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -8.156 -21.648 8.186 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -9.266 -18.824 7.015 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -9.612 -19.269 6.069 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -8.607 -17.545 6.699 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -10.468 -18.508 7.914 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -10.110 -17.988 8.811 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -10.956 -19.447 8.223 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -11.389 -17.684 7.185 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -12.267 -17.777 7.562 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_5.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_5.pdb new file mode 100644 index 000000000..77406d2d6 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_5.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_5.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_5.pdb +REMARK =============================================================== +REMARK HADDOCK score: -33.5889 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 88.6361, 0, 0, 0, 0, -22.348, -1.52056, 112.505, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.583616,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 3, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 4, 0.720054 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: -2.15852 +REMARK Internal energy free molecules: 3903.29 +REMARK Internal energy complex: 3903.29 +REMARK Binding energy: -26.0271 +REMARK =============================================================== +REMARK buried surface area: 868.69 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.960 6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 2.636 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 6.896 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 -0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 -0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 0.682 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 -0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 -1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.665 0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 -0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 -0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 -2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 -2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 -3.280 10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 -3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 -4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 -2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 -2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 -2.628 11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 -1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 -1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 -0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 -2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 -0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 -2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 -1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 -1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 -1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 -4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 -4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 -4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 -4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 -5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 -6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 -6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 -7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 -6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 -5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 -7.403 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 -7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 -8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 -6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 -5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 -6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 -5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 -6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 -6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 -7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 -7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.750 -8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 -5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 -3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 -5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 -6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 -4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 -5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 -5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.640 -6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 -3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.456 -3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 -2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 -2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 -1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 -0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 -1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 -1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 -2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 -2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 -3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 -3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 -2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 -3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 -3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 -4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 -4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 -4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 -5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 -7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 -7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 -7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 -6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 -7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 -3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 -4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 -2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 -2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 -1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 -0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 -1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 -1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 -1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 -2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 -2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 -2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 -1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 -2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.051 -2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 -2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 -0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 -0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 -0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 -1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 -0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 -1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 -0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 -2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 -2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 -3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 -3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.778 -3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 -4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 -5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 -3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 -3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 -3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 -3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 -3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 -2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 -4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 -2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 -2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 -1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 -1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 -0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 -0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 -0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 -0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 -0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 -1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 -1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 -2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 -1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 -3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 -1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 -0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 -0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 -2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 -2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 -3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 -4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 -4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 -4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 -5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 -5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 -5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 -5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 -5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 -5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 -5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 -5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 -2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 -3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 -2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 -2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 -2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 -1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 -3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 -4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 -3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 -5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 -0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 -0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.794 12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 5.005 -10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 -0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 -2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 -1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 -3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 -3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 -3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 -0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 -1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 -0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 -0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 -1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.923 -0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 -0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 -0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 -0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 -0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 -2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 -3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 -3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 -2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 -4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 -5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 -5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 -4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 -5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 -5.968 -9.309 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 -5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 -5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 -4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 -6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 -6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.950 -7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 -8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 -9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 -10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 -8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 -7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 -7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 -7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 -7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 -7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 -8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 -7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 -6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 -7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 -6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 -6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 -5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 -5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 -3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 -3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 -1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 -3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 -4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 -3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 -3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 -4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 -5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 -2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 -2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 -1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 -1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 -0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 -0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 -0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 -0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 -0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 -0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 -1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 -2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 -3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 -3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.584 2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 -0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 -1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 -0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 -1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 -0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 -0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 -0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 -2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 -0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 -0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 -0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 -0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 -0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 -1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 -2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 -2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 -3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 -4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 -4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 -4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 -3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.342 -4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 -1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 -1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 -1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 -1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 -0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 -0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 -0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 -0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 -1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 -1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 -3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 -3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 -4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 -5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.555 -6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 -7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 -8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 -8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 -9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 -9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 -9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 -8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 -10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 -10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 -11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 -4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 -4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 -4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 -3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 -4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 -5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 -6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 -7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 -6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 -8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 -7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 -8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 -9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 -10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 -3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 -3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 -2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 -2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 -1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 -1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 -2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 -3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 -3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 -4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 -5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 -4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 -2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 -5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 -3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 -5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.058 3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 -1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 -1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 -0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 -0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 -2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 -1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 -1.440 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 -2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 -3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 -4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 -4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 -3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 -4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 -5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 -4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 -4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 -5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 -4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 -5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 -3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 -3.100 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 -3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 -1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 -2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 -2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 -3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 -3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 -2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 -4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 -5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 -6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 -6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 -6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 -6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.605 -6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 -7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 -1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 -1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 -1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 -1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 -0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 -0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 -1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 -1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 -2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 -2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 -3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 -0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.974 12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 14.331 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 11.184 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 7.771 4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 -0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 -0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 -0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 -1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 -0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 -1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 -2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 -0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 -0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 -1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 -0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 -1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 -2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 -3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 -3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 -4.595 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 -5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 -4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 -6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 -5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 -6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 -4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 -2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 -4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 -2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 -2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 -4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 -3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 -4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 -2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 -5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 -6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 -4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 -3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 -5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 -5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 -5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 -4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 -6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 -7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 -6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 -5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 -6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 -5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.273 -4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 -3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 -4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 -7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 -8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 -7.971 10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 -7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 -9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 -8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 -8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.561 -7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 -8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 -10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 -10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 -11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 -12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 -13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 -13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 -11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 -12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.174 -13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 -12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 -11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 -12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.975 -12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 -13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 -14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 -13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 -13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 -14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 -11.806 6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 -11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 -10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 -10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 -9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 -9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 -8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 -9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 -9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 -8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 -7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 -6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 -9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 -5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 -9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 -8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 -10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 -10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 -11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 -11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 -11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 -10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 -9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 -9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 -8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 -8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 -8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 -8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 -8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 -7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 -6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 -5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 -4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 -5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 -3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 -2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 -3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 -5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 -3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 -4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 -3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 -8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 -9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 -8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 -8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.106 -9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 -9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 -11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 -10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 -9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 -10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 -8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 -7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 -7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 -6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 -8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 -8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 -8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 -7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.953 -8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 -8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 -8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 -7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 -9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 -8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 -8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 -9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 -10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 -10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 -11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 -11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 -10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 -10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 -10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.261 -10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 -12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 -12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 -12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 -13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 -14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 -14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 -13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 -12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 -12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 -12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 -13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.652 -13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 -14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 -12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 -13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 -11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 -11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 -12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 -11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 -12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 -13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 -11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 -11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 -12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 -10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 -9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 -9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 -8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 -8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 -8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 -7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 -9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 -8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 -8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 -9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 -9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 -9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 -9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 -9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 -9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 -10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 -10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 -8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 -6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 -11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 -11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 -12.507 -1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 -13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 -14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.706 -15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 -15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 -15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 -14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 -15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 -13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 -13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 -13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 -13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 -14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 -15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 -16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 -16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 -17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 -17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 -18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 -13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 -14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 -12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 -12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 -12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 -11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 -11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 -12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 -12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 -11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 -10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 -11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 -11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 -11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 -10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 -11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 -9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 -9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 -9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 -8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 -10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 -8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 -8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 -7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 -8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 -6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 -6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 -7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 -7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 -7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 -5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 -4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 -5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 -6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 -4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 -5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 -4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 -4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 -3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 -2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 -3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 -3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 -3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 -4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 -2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 -1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 -2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 -3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 -2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 -3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 -4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 -2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 -3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 -4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 -4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 -1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 -0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 -2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 -3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 -1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 -1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 -2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 -2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 -4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 -2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 -4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 -4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 -5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 -5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 -0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 -1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 -0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 6.078 -1.197 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -11.254 -17.451 12.738 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -11.848 -17.316 13.656 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -11.181 -18.840 12.459 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -10.760 -19.291 13.193 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -11.915 -16.611 11.620 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -12.110 -15.611 12.040 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 -13.207 -17.187 11.214 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 -13.209 -18.081 10.811 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 -14.432 -16.545 11.364 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 -14.595 -15.411 11.855 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 -15.654 -17.310 10.880 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 -15.567 -17.530 9.807 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 -16.564 -16.716 11.043 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 -15.752 -18.259 11.426 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -10.987 -16.437 10.404 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -10.815 -17.417 9.937 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -11.603 -15.534 9.466 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -11.027 -15.424 8.706 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -9.642 -15.840 10.848 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -9.826 -14.839 11.268 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -8.755 -15.728 9.672 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -8.962 -16.715 11.916 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -8.781 -17.711 11.480 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -9.909 -16.907 13.045 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -7.641 -16.162 12.471 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -6.922 -16.082 11.647 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -7.237 -16.864 13.218 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -7.857 -14.875 13.071 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -7.825 -14.959 14.027 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -8.324 -14.356 9.353 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -7.766 -13.915 10.191 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -7.432 -14.394 8.097 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -7.989 -14.914 7.303 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -6.197 -15.144 8.374 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -5.599 -14.809 9.075 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -5.819 -16.303 7.704 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -6.470 -16.853 6.793 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -4.504 -16.931 8.138 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -4.545 -17.205 9.202 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -4.301 -17.836 7.549 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -3.677 -16.222 7.990 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -7.101 -12.970 7.609 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -6.488 -12.459 8.366 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -6.388 -13.056 6.360 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -5.576 -13.551 6.492 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -8.397 -12.175 7.378 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -8.981 -12.685 6.596 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -8.071 -10.806 6.936 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -9.240 -12.104 8.658 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -8.665 -11.608 9.455 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -9.496 -13.496 9.073 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -10.595 -11.408 8.467 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -11.158 -11.943 7.693 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -10.433 -10.371 8.132 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -11.308 -11.424 9.711 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -11.588 -10.531 9.927 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -8.662 -10.452 5.636 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -9.748 -10.626 5.645 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -8.382 -8.967 5.338 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -7.297 -8.799 5.422 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -9.072 -8.124 6.323 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -8.490 -7.567 6.882 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -10.467 -7.991 6.590 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -11.373 -8.606 5.997 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -10.850 -7.015 7.691 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -10.501 -6.003 7.444 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -10.396 -7.320 8.645 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -11.942 -6.989 7.815 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -8.827 -8.600 3.909 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -9.922 -8.685 3.839 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -8.411 -7.252 3.624 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -7.455 -7.194 3.689 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -8.175 -9.545 2.885 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -7.083 -9.421 2.948 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -8.631 -9.200 1.523 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -8.524 -11.011 3.181 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -9.616 -11.146 3.143 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -8.076 -11.280 4.561 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -7.831 -12.018 2.255 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -6.746 -11.894 2.349 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -8.120 -11.818 1.210 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -8.222 -13.345 2.634 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -7.949 -13.510 3.540 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -7.526 -8.854 0.612 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -6.760 -9.642 0.621 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -8.055 -8.670 -0.819 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -8.848 -7.907 -0.803 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -8.615 -9.940 -1.302 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -8.023 -10.721 -1.345 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -9.937 -10.111 -1.702 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -10.808 -9.220 -1.705 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -10.322 -11.505 -2.171 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -10.161 -12.236 -1.365 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -9.712 -11.800 -3.037 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -11.381 -11.532 -2.463 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -6.924 -8.199 -1.760 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -6.214 -9.028 -1.900 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -7.510 -7.836 -3.025 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -8.128 -7.113 -2.895 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -6.169 -6.972 -1.208 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -6.822 -6.089 -1.268 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -4.992 -6.775 -2.010 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -5.250 -6.620 -2.922 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -5.711 -7.173 0.250 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -4.971 -7.986 0.290 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -6.887 -7.594 1.031 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -5.143 -5.916 0.922 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -5.926 -5.147 0.948 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -4.294 -5.533 0.333 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -4.718 -6.251 2.251 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -4.056 -5.620 2.542 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_6.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_6.pdb new file mode 100644 index 000000000..682430a82 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_6.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_6.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_6.pdb +REMARK =============================================================== +REMARK HADDOCK score: -13.4511 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 243.192, 0, 0, 0, 0, -8.18956, -0.900758, 252.283, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.820656,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 5, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 4, 1.29931 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.0396 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -8.05072 +REMARK =============================================================== +REMARK buried surface area: 792.32 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:39 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 12.421 6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 11.730 6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 12.583 6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 13.099 5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 13.073 5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 13.697 3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 13.484 3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 14.513 4.128 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 14.437 5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 14.384 3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 15.464 3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 11.304 6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 10.254 6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 11.389 7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 12.258 8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 10.215 8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 9.982 9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 8.732 10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 9.978 10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 10.387 7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 11.304 7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 9.513 6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 8.851 6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 9.519 5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 8.739 4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 9.547 3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 9.854 3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 10.028 2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 10.621 2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 10.808 1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 11.107 1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 11.862 0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 12.623 0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 8.901 6.673 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 8.003 7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 9.414 6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 10.175 5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 8.980 6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 10.134 6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 9.759 6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 9.452 7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 9.739 5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 7.800 5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 7.948 4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 6.752 6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 6.753 7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 5.585 5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 4.614 6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 3.399 5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 2.477 6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 3.067 6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 3.436 7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 3.148 6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 2.584 4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 2.053 4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 2.670 4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 3.815 6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 4.267 7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 3.884 6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 5.908 4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 5.417 3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 6.698 4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 7.072 4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 7.035 2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 8.044 2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 8.022 0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 7.540 3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 6.252 3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 8.905 2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 8.897 3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 9.881 1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 10.859 2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 11.908 2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 12.549 3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 12.116 4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 13.586 2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 9.136 1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 9.477 -0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 8.090 1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 7.917 2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 7.213 1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 6.300 2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 5.267 1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 6.003 0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 4.308 2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.961 6.438 -0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 6.320 -1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 5.878 0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 5.973 1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 5.116 -0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 4.570 -0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 5.998 -2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 5.532 -3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 7.244 -1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 7.545 -0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 8.188 -2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 9.483 -2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 9.222 -1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 10.464 -1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 11.487 -1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 12.085 -1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 11.604 0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 10.961 0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 11.040 1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 10.384 0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 12.359 0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 12.424 2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 12.877 0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 8.478 -3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 8.525 -4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 8.677 -2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 8.626 -2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 8.974 -3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 9.502 -2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 7.757 -4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 7.938 -5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 6.541 -4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 6.456 -3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 5.316 -4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 4.135 -3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 4.220 -2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 2.950 -1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 4.452 -3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 5.134 -5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 4.809 -7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 5.299 -5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 5.509 -4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 5.167 -6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 5.317 -6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 5.456 -7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 4.123 -8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 3.959 -8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 2.795 -9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 1.941 -8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 2.963 -10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 2.637 -9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 6.197 -7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 5.816 -9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 7.432 -7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 7.663 -6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 8.494 -8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 9.861 -7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 8.165 -9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 8.616 -10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 7.436 -8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 7.120 -7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 7.054 -9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 6.897 -8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 8.267 -7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 8.832 -8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 5.756 -10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 5.339 -10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 5.158 -10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 5.576 -9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 3.921 -11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 2.641 -10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 1.671 -11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 2.679 -8.996 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 3.501 -8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 1.471 -8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 1.717 -6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 2.527 -6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 1.482 -7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 0.946 -5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 0.487 -8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 -0.711 -8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 0.897 -8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 1.851 -8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 -0.049 -8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 0.683 -8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 -0.309 -7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 -1.477 -7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 0.061 -7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 -0.996 -9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 -0.614 -10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 -2.210 -9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 -2.408 -8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 -3.280 -10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 -3.393 -10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 -4.227 -11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 -2.602 -10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 -2.003 -9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 -2.628 -11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 -1.500 -10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 -1.397 -11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 -0.555 -12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 -2.139 -11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 -0.450 -13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 -2.040 -11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 -1.182 -12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 -1.088 -13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 -1.968 -14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 -4.024 -10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 -4.569 -9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 -4.588 -11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 -4.061 -12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 -5.920 -12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 -6.008 -11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 -6.897 -11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 -7.900 -10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 -6.573 -11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 -5.764 -12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 -7.402 -10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 -7.273 -9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 -8.159 -8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 -6.271 -8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 -5.608 -9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 -6.080 -7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 -5.738 -6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 -6.847 -6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 -6.686 -7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 -7.972 -6.328 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 -7.996 -5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.750 -8.733 -6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 -5.009 -7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 -3.831 -7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 -5.405 -6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 -6.349 -6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 -4.408 -6.376 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 -5.100 -6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 -5.818 -4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 -6.123 -4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 -3.497 -5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.456 -3.857 -4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 -2.331 -5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 -2.156 -5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 -1.275 -4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 -0.136 -4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 1.133 -3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 1.828 -4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 2.033 -3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 -1.684 -2.745 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 -1.221 -2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 -2.451 -2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 -2.866 -0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 -3.753 -0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 -3.253 -1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 -2.993 -2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 -3.541 -0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 -3.494 0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 -4.196 -1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 -4.201 -2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 -4.911 -1.209 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 -5.728 -2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 -7.013 -2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 -7.933 -1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 -7.030 -3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 -6.230 -3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 -7.842 -3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 -3.908 -0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 -4.199 0.170 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 -2.812 -1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 -2.716 -2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 -1.728 -1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 -0.784 -2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 -1.435 -3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 -1.738 -4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 -1.857 -4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 -2.346 -5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 -2.661 -6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 -2.410 -5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 -1.827 -3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 -2.909 -6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.051 -2.303 -4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 -2.847 -5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 -0.969 -0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 -0.605 0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 -0.786 0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 -1.100 -0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 -0.095 1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 0.456 1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 1.114 2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 1.418 0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 -1.045 2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 -0.566 3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 -2.321 2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 -2.655 1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 -3.281 3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 -3.351 4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.777 -3.295 5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 -4.616 3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 -5.885 4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 -3.485 3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 -3.542 2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 -3.555 3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 -3.871 1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 -3.326 0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 -2.951 1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 -4.447 -0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 -2.298 3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 -2.424 4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 -1.127 3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 -1.119 2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 0.155 3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 1.337 3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 1.367 1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 0.496 1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 0.241 5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 0.677 6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 -0.157 5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 -0.470 5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 -0.146 7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 -0.678 7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 -0.242 8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 -1.380 9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 -1.115 10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 -2.063 11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 -1.890 12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 -3.045 11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 -1.933 12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 -0.963 8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 -0.426 9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 -2.212 7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 -2.558 6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 -3.131 8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 -4.584 8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 -4.825 8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 -4.857 7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 -5.103 9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 -5.151 8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 -5.231 7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 -5.293 9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 -5.224 10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 -5.603 10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 -5.508 11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 -5.697 11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 -2.865 8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 -3.120 9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 -2.356 7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 -2.193 6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 -2.040 6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 -1.874 5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 -3.105 4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 -4.030 5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 -3.891 5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 -5.056 4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 -0.731 7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 -0.648 8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 0.320 7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 0.248 7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 1.606 8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 2.470 6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 2.648 6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 2.387 6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 2.407 8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 3.503 9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 1.965 9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 1.074 8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 2.660 9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 2.995 11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 1.760 11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 1.579 12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 3.973 9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 5.005 9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 3.877 7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 3.021 7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 5.005 6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 5.463 7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 4.414 6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 3.554 5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 4.301 7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 2.583 5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 3.355 7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 2.528 6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 1.626 6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 2.055 6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 6.214 6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 7.328 6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 5.999 7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 5.078 7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 7.009 7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 6.806 9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 7.936 9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 8.963 8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 7.808 10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 6.995 11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 8.529 11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 6.979 6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 6.049 6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 7.995 5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 8.682 5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 8.070 4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 9.257 3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 10.523 4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 11.248 3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 9.278 3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 8.149 5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 7.852 4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 8.539 6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 8.741 7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 8.699 7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 9.949 8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 11.214 7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.794 12.467 8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 13.090 8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 12.742 7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 12.149 7.456 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 13.528 8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 7.460 7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 7.523 8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 6.404 7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 6.426 7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 5.200 8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 4.138 8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 4.620 7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 4.423 6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 4.263 8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 4.467 9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 3.589 8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 4.485 8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 5.005 10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 5.929 9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 5.599 7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 2.423 9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 2.428 10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 1.361 9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 1.404 8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 0.114 9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 -0.793 9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 -2.006 10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 -1.745 11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 -3.183 10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 -3.229 9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 -3.952 10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 -0.531 9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 -1.032 8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 -0.526 10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 -0.137 11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 -1.117 9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 -0.262 10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 -0.825 10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 -0.539 9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 -0.288 9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 -0.981 9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 0.880 10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 1.596 11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 1.255 11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 2.492 11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 1.293 10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 0.722 9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 2.184 10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 -2.608 10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 -3.134 11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 -3.343 9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 -2.900 8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 -4.819 9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 -5.480 8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 -5.110 7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 -4.435 6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 -5.466 8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 -5.968 9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 -5.213 8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 -5.350 9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 -4.691 9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 -6.582 10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 -6.996 10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.951 -7.361 10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 -8.826 11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 -9.517 9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 -10.090 9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 -8.916 12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 -7.495 9.740 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 -7.605 10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 -7.466 8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 -7.355 8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 -7.587 7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 -8.313 6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 -7.376 5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 -6.282 6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 -7.836 4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 -6.286 6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 -6.296 5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 -5.167 7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 -5.199 8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 -3.894 7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 -3.090 6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 -1.914 5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 -3.739 5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 -4.672 6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 -3.041 4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 -3.959 3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 -4.738 4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 -5.466 4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 -2.293 5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 -2.540 7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 -1.355 5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 -1.194 4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 -0.562 5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 0.910 6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 0.838 6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 1.351 6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 1.712 7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 -0.565 4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 -0.562 3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 -0.513 5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 -0.539 6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 -0.420 4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 -1.352 5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 -2.791 5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 -3.249 4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 -3.534 6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 1.063 4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 1.679 6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 1.589 3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 1.000 3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 2.996 3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 3.611 2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 3.670 3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 4.795 3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 2.684 2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 4.954 4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.584 2.816 3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 3.930 4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 4.030 4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 3.799 3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 3.308 3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 2.752 2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 4.238 3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 4.587 4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 4.749 3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 3.969 3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 2.989 4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 4.442 3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 5.208 2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 3.911 3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 4.887 2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 4.795 3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 4.602 1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 5.838 3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 2.432 3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 1.692 3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 1.997 2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 2.646 1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 0.638 1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 0.602 0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 1.363 -0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 1.022 -0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 2.393 -1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 1.686 -1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 3.081 -2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 2.707 -1.912 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 -0.131 2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 -1.280 1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 0.479 2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 1.389 3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 -0.124 3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 -1.091 4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 -0.348 5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 0.332 6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 -0.362 7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 1.616 6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 2.005 5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 2.109 6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 -0.826 2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 -2.028 2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 -0.165 1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 0.786 1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 -0.691 0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 0.174 -0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 -0.004 -1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 -0.149 -1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 1.039 -2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 -0.811 0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 0.062 1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 -1.978 0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 -2.625 0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 -2.360 1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 -3.895 1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 -4.401 1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 -4.852 1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 -4.254 3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 -3.856 3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.343 -4.551 3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 -1.903 0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 -1.975 -0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 -1.418 1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 -1.433 2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 -0.855 0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 -0.012 1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 -0.769 2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 -0.234 3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 -1.883 -0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 -1.407 -0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 -3.175 0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 -3.493 0.617 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 -4.108 -0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 -5.490 0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 -6.204 -0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 -7.244 0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 -8.477 -0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 -8.584 0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 -9.443 -0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 -9.151 -1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 -9.907 -1.844 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 -8.167 -1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 -10.683 -0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 -10.852 0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 -11.474 -0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 -4.226 -2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 -4.419 -2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 -4.114 -2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 -3.955 -1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 -4.243 -3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 -5.371 -4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 -6.595 -3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 -7.617 -3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 -6.716 -2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.959 -8.729 -2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 -7.820 -1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 -8.836 -1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 -9.950 -0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 -10.132 -0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 -3.058 -4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 -3.007 -5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 -2.224 -4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 -2.315 -3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 -1.165 -4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 -1.198 -4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 -2.600 -4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 -3.448 -3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 -3.326 -5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 -4.665 -3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 -5.431 -3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 -4.603 -5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 -2.979 -6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 -5.602 -5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 -3.973 -7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 -5.220 -7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 0.259 -4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 0.936 -5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 0.737 -3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 0.152 -2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 2.177 -3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 2.310 -3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 1.349 -2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 2.976 -2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 2.411 -1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 3.361 -3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 4.095 -3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 3.535 -2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 4.251 -3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 4.641 -3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 3.817 -2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 5.787 -3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 4.384 -1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 5.543 -1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 3.781 -0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 2.846 -0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 4.611 0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 3.999 2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 2.712 2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 2.184 2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 2.238 3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 4.879 1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 5.490 2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 4.382 0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.058 3.869 -0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 4.516 0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 3.810 1.887 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 4.043 2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 2.953 2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 2.790 2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 2.223 3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 2.906 5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 2.745 5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 2.896 6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 2.604 7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 1.946 6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 3.147 8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 4.046 9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 4.469 9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 4.321 8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 2.838 8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 2.132 8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 3.307 9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 0.754 3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 0.069 4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 0.306 2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 0.919 1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 -1.071 2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 -1.280 1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 -0.344 2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 -0.249 2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 -2.746 2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 -1.822 1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 -1.439 0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 -2.902 2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 -3.805 1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 -4.563 2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 -4.515 3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 -3.363 3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 -4.666 0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 -5.267 0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 -4.728 -0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 -4.214 -0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 -5.480 -1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 -4.972 -2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 -5.782 -2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 -3.658 -2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 -3.099 -2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 -3.056 -2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 -1.728 -2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 -2.894 -4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 -2.553 -5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 -3.084 -4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 -3.287 -4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 -2.980 -6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 -4.294 -6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 -5.380 -6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 -6.712 -6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 -6.616 -5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 -6.728 -3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 -6.545 -2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.606 -6.036 -3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 -7.683 -3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 -1.795 -6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 -1.585 -8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 -1.064 -6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 -1.289 -5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 0.121 -6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 1.316 -6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 2.612 -6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 2.598 -6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 3.743 -7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 3.711 -7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 4.561 -7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 -0.079 -7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 0.599 -8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 -0.984 -7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 -1.478 -7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 -1.244 -9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 -2.644 -9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 -2.886 -9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 -3.676 -9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 -0.107 -9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 0.157 -10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 0.590 -8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 0.359 -7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 1.703 -8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 2.928 -9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 3.864 -9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 2.065 -7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 0.802 -7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 2.884 -9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.821 2.122 -8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 3.984 -9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 5.266 -8.746 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 6.324 -9.404 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 5.141 -7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.867 4.258 -7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 6.353 -6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 6.491 -6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 5.122 -5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 6.976 -7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 5.123 -4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 6.310 -5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 5.259 -5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 7.415 -4.690 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 8.212 -5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 7.537 -3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 8.929 -2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 9.666 -3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 9.092 -3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.737 10.149 -3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 11.089 -3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 9.802 -4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 8.586 -3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 8.405 -4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 7.821 -3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 10.779 -4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 11.727 -4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 10.586 -4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 7.045 -2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 7.440 -2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 6.297 -1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 6.007 -1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 5.885 -0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 7.054 0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 6.843 0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 4.889 0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 3.346 -0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 8.192 0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 8.250 0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 9.379 1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 10.422 1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 10.737 -0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 11.304 -0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 9.908 0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 10.520 0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 9.644 -1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 9.160 -1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 10.035 -1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 9.879 -3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 10.654 -3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 10.533 -5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 9.979 -5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 11.103 -6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 11.524 -5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 11.077 -6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 9.216 -1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 9.614 -2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 8.144 -0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 7.914 -0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 7.280 -0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 5.830 -0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 5.156 -1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 3.776 -1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 5.029 -2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 7.780 0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 7.156 1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 8.863 1.375 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 9.319 0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 9.351 2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 9.427 3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 8.181 3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 8.658 4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 7.055 4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 10.669 2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 11.167 3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 11.171 1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 10.693 0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 12.456 1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 13.014 -0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 12.099 -1.255 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 12.599 -1.985 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 13.204 -0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 12.330 1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 11.226 1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 13.489 1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 14.329 1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 13.489 1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 14.776 2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 15.157 3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 14.330 4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 16.360 4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 13.137 0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 12.437 0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 13.601 -0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 14.163 -0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 13.331 -1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 14.370 -2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 13.952 -4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 13.619 -4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 13.958 -4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 11.868 -2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 11.463 -2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 11.098 -2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 11.507 -2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 9.648 -2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 8.945 -2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 8.559 -1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 9.768 -0.428 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 7.791 -1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 9.259 -4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 8.087 -4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 10.276 -5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 11.217 -5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 9.880 -6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 11.184 -7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 11.996 -7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 12.491 -6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 10.820 -8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 8.917 -6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 7.990 -7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 9.145 -6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 9.907 -5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 8.280 -6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 8.975 -5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 8.042 -5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 10.168 -6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 6.950 -5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 5.893 -6.211 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 6.924 -4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 7.771 -4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 5.660 -3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 5.884 -2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 4.782 -4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 3.569 -4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 5.399 -5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 6.372 -5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 4.664 -6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 5.508 -6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 5.580 -5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 4.983 -7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 6.725 -5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 4.122 -7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 2.935 -7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 4.940 -7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 5.855 -7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 4.449 -9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 5.644 -9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 5.343 -10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 6.676 -11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 7.597 -10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 7.260 -10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 8.822 -11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 9.787 -11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 10.742 -11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 9.581 -10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 9.054 -12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 9.999 -12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 8.288 -12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 3.267 -8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 2.286 -9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 3.284 -7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 4.058 -7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 2.181 -7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 0.957 -6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 -0.162 -7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 2.701 -6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 1.393 -5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 1.081 -6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 1.976 -5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 -0.011 -5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 0.524 -4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 -0.728 -6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 -1.948 -7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 0.030 -7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 1.004 -7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 -0.491 -9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 0.550 -10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 1.208 -9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 2.337 -10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 2.993 -10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 4.206 -11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 4.619 -11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 3.952 -12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 4.917 -11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 -1.360 -9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 -2.422 -10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 -0.948 -9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 -0.094 -9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 -1.697 -10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 -0.858 -10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 -1.769 -10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 -2.389 -11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 -3.332 -12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 -3.015 -12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 -4.595 -11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 -5.254 -11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 -4.785 -10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 -6.235 -10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 -5.280 -12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 -6.261 -11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 -4.827 -12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 -2.963 -9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.987 -4.072 -9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 -2.883 -8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 -2.024 -7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 -4.049 -7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 -3.710 -5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 -4.961 -4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 -2.710 -5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 -5.170 -7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 -6.325 -7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 -4.838 -7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 -3.900 -7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 -5.891 -8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 -5.485 -7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 -5.428 -6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 -4.251 -8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 -6.520 -9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 -7.499 -9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 -6.045 -10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 -5.248 -10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 -6.659 -11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 -5.672 -12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 -4.446 -12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 -3.566 -13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 -4.908 -13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 -7.866 -11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 -8.614 -12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 -7.971 -10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 -7.286 -9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 -9.139 -10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 -8.882 -9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 -8.387 -9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.561 -7.922 -10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 -8.474 -9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 -10.335 -10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 -10.272 -9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 -11.518 -10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 -12.790 -10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 -13.808 -10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 -13.065 -11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 -11.711 -10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 -12.980 -8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.174 -13.516 -8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 -12.480 -7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 -11.944 -7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 -12.722 -6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.975 -12.583 -5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 -13.854 -5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 -14.843 -5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 -13.894 -4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 -13.087 -3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 -14.729 -4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 -11.806 -6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 -11.977 -5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 -10.797 -7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 -10.671 -7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 -9.919 -7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 -9.286 -5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 -8.979 -5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 -9.019 -5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 -9.262 -5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 -8.358 -3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 -7.799 -3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 -6.747 -2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 -9.000 -3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 -5.923 -2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 -9.274 -2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 -8.709 -1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 -10.536 -3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 -10.836 -4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 -11.526 -2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 -11.117 -1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 -11.610 -0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 -10.144 -2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 -9.785 -3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 -9.595 -1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 -8.571 -2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 -8.951 -0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 -8.873 0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 -8.411 -0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 -8.469 -0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 -7.733 1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 -6.636 1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 -5.372 0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 -4.331 1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 -5.009 -0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 -3.342 0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 -2.491 0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 -3.707 -1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 -5.614 -2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 -3.052 -2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 -4.956 -3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 -3.685 -3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 -8.741 2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 -9.370 2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 -8.890 3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 -8.351 3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.107 -9.839 4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 -9.937 5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 -11.002 6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 -10.205 4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 -9.440 4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 -10.401 5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 -8.149 5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 -7.469 4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 -7.757 5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 -6.271 6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 -8.183 5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 -8.470 5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 -8.176 3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 -7.899 3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.952 -8.594 2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 -8.119 1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 -8.501 0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 -7.819 0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 -9.769 -0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 -8.561 -0.538 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 -8.283 -0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 -9.761 -0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 -10.856 -0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 -10.853 -1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 -11.947 -0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 -11.935 -1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 -10.113 3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 -10.568 3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 -10.901 2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.260 -10.490 2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 -12.376 3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 -12.992 3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 -12.970 1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 -13.984 1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 -14.206 2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 -14.907 3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 -13.502 2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 -12.561 1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 -12.043 1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 -12.351 0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 -13.744 3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.653 -13.204 3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 -14.470 4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 -12.736 4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 -13.583 4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 -11.964 5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 -11.199 5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 -12.173 6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 -11.411 7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 -12.317 8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 -13.529 8.263 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 -11.607 9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 -11.703 7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 -12.473 7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 -10.417 6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 -9.824 6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 -9.867 7.319 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 -8.458 7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 -8.551 9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 -8.078 9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 -7.652 8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 -9.064 10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 -8.290 10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 -8.872 10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 -9.134 11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 -9.606 6.221 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 -9.330 6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 -9.676 4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 -9.957 4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 -9.358 3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 -10.502 2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 -10.482 2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 -8.247 2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 -6.832 3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 -11.352 2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 -11.218 3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 -12.507 1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.884 -13.322 1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 -14.490 0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.705 -15.229 0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 -15.893 -0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 -15.150 1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 -14.606 2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 -15.639 1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 -13.384 2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 -13.708 3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 -13.667 1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 -13.298 0.548 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 -14.526 1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 -15.885 2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 -16.810 1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 -16.837 0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 -17.573 1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 -17.493 2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 -18.176 1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 -13.943 2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 -14.700 3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 -12.666 3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 -12.128 2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 -12.035 4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 -11.174 5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 -11.658 6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 -12.027 7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 -12.900 6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 -11.337 8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 -10.665 8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 -11.533 8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 -11.215 3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 -11.031 2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 -10.785 4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 -11.034 5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 -9.919 3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 -9.918 4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 -9.648 3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 -8.662 2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 -10.439 3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 -8.500 3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 -8.082 4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 -7.871 2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 -8.259 1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 -6.530 2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 -6.629 1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 -7.633 1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 -7.209 1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 -7.730 3.329 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 -5.386 2.473 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 -4.222 2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 -5.688 2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 -6.611 2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 -4.626 2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 -5.271 2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 -4.719 0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 -4.542 -0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 -3.374 -1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 -2.697 -1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 -3.200 -2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 -3.928 -2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 -3.776 -3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 -4.642 -2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 -2.297 -3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 -1.730 -3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 -2.165 -4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 -3.517 3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 -2.333 2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 -3.872 4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 -4.816 4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 -2.829 5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 -3.507 6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 -4.513 6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 -4.141 6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 -1.764 5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 -0.625 5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 -2.123 4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 -3.028 4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 -1.154 4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 -1.822 3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 -2.686 4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 -2.114 5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 -4.067 4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 -2.893 6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 -4.854 5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 -4.256 6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 -5.050 7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 -5.848 7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 0.017 3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 1.073 3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 -0.204 2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 -1.089 2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 0.875 1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 0.380 0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 0.328 -0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 -0.951 -0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 1.353 1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 2.260 1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 0.768 3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 0.079 3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 1.098 3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 0.169 4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 2.552 4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.975 3.045 4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 3.194 3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 2.665 2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 4.605 3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 5.624 2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 6.840 3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 5.179 1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 4.215 1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 6.078 1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 6.650 -0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 7.591 -0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 5.302 0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 4.772 2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 6.086 -0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 5.318 0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 6.532 -1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 6.513 -2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 7.401 -3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 5.445 -3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 4.820 -2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 5.081 -4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 5.463 -3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 6.967 -4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 4.842 -2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 3.532 -4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 3.343 -5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 8.532 -7.953 0.696 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 8.678 -7.107 0.005 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 9.018 -7.572 1.973 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 9.950 -7.356 1.907 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 7.032 -8.330 0.671 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 6.731 -8.389 -0.387 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 6.211 -7.291 1.315 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 6.352 -7.115 2.269 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 5.245 -6.538 0.656 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 4.950 -6.643 -0.550 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 4.503 -5.513 1.500 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 3.977 -6.008 2.327 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 3.767 -4.976 0.886 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 5.209 -4.782 1.919 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 6.773 -9.706 1.311 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 7.020 -9.660 2.381 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 5.388 -10.056 1.131 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 5.222 -10.914 1.530 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 7.642 -10.777 0.631 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 7.347 -10.845 -0.427 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 7.410 -12.076 1.295 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 9.137 -10.424 0.715 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 9.418 -10.363 1.779 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 9.338 -9.068 0.140 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 10.081 -11.404 0.001 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 9.979 -12.390 0.470 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 11.121 -11.066 0.127 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 9.752 -11.478 -1.396 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 10.416 -11.006 -1.904 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 6.872 -13.129 0.417 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 7.560 -13.337 -0.415 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 6.658 -14.409 1.247 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 6.033 -14.148 2.115 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 7.948 -14.919 1.735 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 8.623 -15.180 1.073 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 8.278 -15.056 3.079 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 7.533 -14.768 4.036 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 9.666 -15.603 3.378 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 10.435 -14.944 2.951 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 9.823 -15.671 4.463 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 9.782 -16.606 2.943 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 5.926 -15.488 0.425 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 6.568 -15.806 -0.410 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 5.626 -16.607 1.282 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 6.443 -16.966 1.634 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 4.606 -14.927 -0.128 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 3.967 -14.644 0.722 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 3.925 -15.958 -0.935 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 4.851 -13.687 -0.998 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 5.500 -13.950 -1.847 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 5.569 -12.714 -0.153 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 3.563 -13.021 -1.499 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 2.952 -12.740 -0.633 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 2.993 -13.735 -2.114 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 3.905 -11.862 -2.272 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 3.469 -11.910 -3.126 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 2.569 -16.276 -0.459 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 1.964 -15.361 -0.376 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 1.899 -17.249 -1.446 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 2.566 -18.115 -1.580 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 1.711 -16.588 -2.745 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 2.188 -16.997 -3.499 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 0.938 -15.437 -3.078 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 0.261 -14.770 -2.273 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 0.959 -15.011 -4.537 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 0.575 -15.818 -5.176 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 1.987 -14.775 -4.850 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 0.334 -14.120 -4.684 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 0.549 -17.747 -0.896 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -0.151 -16.901 -0.838 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 0.034 -18.762 -1.777 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 0.655 -19.493 -1.818 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 0.733 -18.355 0.505 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 1.410 -19.220 0.420 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -0.572 -18.804 1.032 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 1.350 -17.338 1.475 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 0.694 -16.458 1.555 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 2.628 -16.906 0.877 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 1.649 -17.905 2.869 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 2.342 -18.748 2.764 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 0.716 -18.270 3.327 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 2.231 -16.872 3.677 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 3.051 -16.577 3.274 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -0.602 -20.240 1.359 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 0.239 -20.503 2.016 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -1.926 -20.600 2.053 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -2.757 -20.294 1.399 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -2.023 -19.877 3.328 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -1.328 -20.032 4.003 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -3.039 -18.979 3.644 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -3.988 -18.675 2.896 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -2.961 -18.333 5.019 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -2.024 -17.766 5.120 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -2.992 -19.101 5.804 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -3.805 -17.645 5.166 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -2.014 -22.122 2.299 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -1.285 -22.396 3.077 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -3.348 -22.431 2.748 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -3.978 -22.189 2.065 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -1.730 -22.945 1.026 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -2.575 -22.833 0.329 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -1.580 -24.322 1.408 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -2.390 -24.628 1.824 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -0.428 -22.510 0.326 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 0.428 -22.727 0.983 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -0.491 -21.051 0.133 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -0.200 -23.143 -1.053 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -1.020 -22.843 -1.717 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -0.205 -24.241 -0.962 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 1.061 -22.691 -1.570 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 1.384 -23.322 -2.217 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_7.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_7.pdb new file mode 100644 index 000000000..9398f58d8 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_7.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_7.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_7.pdb +REMARK =============================================================== +REMARK HADDOCK score: -5.79939 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 646.066, 0, 0, 0, 0, -6.72444, -2.21518, 655.006, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,1.71578,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 4, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 1.20015 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 5.42351 +REMARK Internal energy free molecules: 3903.29 +REMARK Internal energy complex: 3903.29 +REMARK Binding energy: -3.51611 +REMARK =============================================================== +REMARK buried surface area: 883.334 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 0.200 12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 -0.292 11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 1.636 12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 2.306 13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 3.859 13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 4.258 13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 5.674 13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 6.527 14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 6.463 14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 7.518 14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 6.217 15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 2.319 11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 1.994 10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 3.251 11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 3.433 12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 4.018 10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 4.147 9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 4.982 8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 2.776 9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 5.391 10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 6.121 11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 5.593 9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 4.900 8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 6.828 9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 6.689 8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 6.016 9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 4.657 9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 6.799 10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 4.097 10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 6.270 10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 4.906 11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 4.324 11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 4.877 12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 7.961 8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 7.835 8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 9.109 9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 9.079 10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 10.430 8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 11.418 10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 12.857 9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 13.464 9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 13.426 9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 10.658 7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 10.237 7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 11.304 6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 11.600 6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 11.602 5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 12.476 4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 12.911 3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 13.754 2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 14.969 3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 14.904 3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 16.148 3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 16.373 2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 15.616 2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 17.307 2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 17.148 3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 17.004 4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 18.071 3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 12.290 5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 11.879 5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 13.347 6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 13.643 7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 14.094 7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 13.325 8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 13.450 8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 15.498 7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 16.659 6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 12.547 8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 12.510 8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 11.730 9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 11.107 10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 10.186 11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 9.395 12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 9.278 12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 8.900 13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 10.713 9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 10.459 9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 10.158 8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 10.380 7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 9.219 7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 8.501 6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 7.495 5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 6.312 6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 7.098 4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 9.960 6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 9.406 6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 11.132 5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 11.507 5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 11.873 5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 13.169 4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 12.089 5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 11.851 5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 12.508 7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 12.679 7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 12.727 8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 13.331 9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 14.756 9.222 1.883 1.00 15.00 A C +ATOM 99 CD ARG A 10 15.579 10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 14.822 11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 14.232 12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 14.937 11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 15.933 10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 16.039 11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 16.602 10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 14.097 12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 14.219 12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 13.325 12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 11.454 8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 11.513 8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 10.330 8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 10.351 8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 9.049 8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 7.996 9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 8.571 7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 8.009 7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 8.772 6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 9.216 6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 8.357 5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 8.364 4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 7.342 4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 7.347 2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 5.941 4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 9.236 5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 8.694 4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 10.532 5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 10.864 5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 11.465 5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 12.874 5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 13.871 5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 14.137 4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 15.653 3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 15.873 2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 15.453 1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 15.433 2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 16.892 2.636 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 11.172 6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 11.205 5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 10.874 7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 10.874 7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 10.545 8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 10.372 9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 9.259 8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 9.134 8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 8.330 7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 8.523 7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 7.037 7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 5.979 6.896 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 5.711 8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 6.128 8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 6.974 5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 5.838 5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 8.120 5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 8.930 5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 8.261 3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 7.883 2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 7.559 1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 7.907 2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 8.173 3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 7.530 1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 7.087 1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 5.800 2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 4.457 1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 3.694 0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 8.693 0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 8.385 -0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 9.925 0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 10.101 1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 11.047 -0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 12.388 0.682 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 13.481 -0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 13.312 -1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 14.665 0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 11.008 -0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 11.424 -0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 10.547 -2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 10.271 -2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 10.408 -3.280 10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 9.014 -3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 8.801 -4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 8.062 -2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 8.262 -2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 6.704 -2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 5.836 -1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 4.603 -1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 4.626 -0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 3.441 -2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 3.515 -0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 2.328 -2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 2.370 -1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 1.295 -1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 0.969 -1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 6.117 -4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 6.010 -4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 5.755 -4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 5.873 -4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 5.200 -5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 3.802 -6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 6.162 -6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 5.757 -7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 7.448 -6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 7.688 -5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 8.506 -7.403 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 8.758 -7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 9.473 -8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 8.250 -6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 7.713 -5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 8.436 -6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 7.102 -5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 6.090 -6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 5.134 -6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 6.354 -7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 7.142 -7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 5.750 -8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 9.484 -5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 9.189 -3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 10.638 -5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 10.789 -6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 11.700 -4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 13.015 -5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 12.798 -5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 13.640 -6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 11.279 -3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 10.456 -3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 11.894 -2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 12.577 -2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 11.628 -1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 12.669 -0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 12.272 1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 11.146 1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 13.477 2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 11.588 -1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 10.620 -1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 12.508 -2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 12.459 -2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 13.694 -3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 14.595 -3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 13.677 -2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 11.145 -3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 10.692 -3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 10.526 -4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 10.930 -4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 9.259 -4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 8.751 -5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 9.564 -7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 9.343 -7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 10.570 -7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 10.728 -6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 11.115 -7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 8.193 -3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 7.471 -4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 8.160 -2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 8.813 -2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 7.182 -1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 7.132 -0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 6.733 -1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 7.552 -1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 5.401 -1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 6.794 -2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 7.144 -2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 5.498 -2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 4.167 -1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 4.398 -2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 3.051 -2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 3.165 -2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 7.480 -0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 6.488 -0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 8.733 -0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 9.456 -1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 9.049 -0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 10.481 0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 10.867 1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 10.737 1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 8.724 -1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 8.113 -0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 9.041 -2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 9.520 -2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 8.710 -3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 7.220 -3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 6.777 -3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 9.296 -4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 8.992 -5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 6.418 -3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 6.833 -3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 4.940 -3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 4.523 -3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 3.536 -3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 2.191 -2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 3.283 -4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 4.345 -2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 3.416 -2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 4.825 -1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 5.535 -1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 4.327 0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 4.922 1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 4.524 1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 4.639 0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 4.621 0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 3.768 0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 5.826 -0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 6.458 -0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 6.244 -0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 7.673 -0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 8.185 -0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 8.064 -1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 8.957 -1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 8.506 -2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 7.507 -1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 8.609 -3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 9.079 -1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 5.315 -0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 4.889 -0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 4.990 -2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 5.361 -2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 4.157 -3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 4.483 -4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 5.931 -4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 7.010 -4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 6.447 -5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 8.152 -5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 9.047 -5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 7.844 -5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 5.831 -5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 8.640 -5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 6.640 -5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 8.015 -5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 2.663 -2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 1.933 -3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 2.231 -2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 2.859 -2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 0.809 -2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 0.410 -1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 0.303 -3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 -0.824 -4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 -1.707 -3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 -0.759 -5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 0.408 -0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 -0.689 -0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 1.199 0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 2.069 0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 0.775 1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 0.355 2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 1.555 2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 2.314 2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 1.763 2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 1.377 3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 2.987 1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 3.178 1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 4.090 2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 3.851 2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 3.506 1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 4.111 1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 4.353 3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 4.677 5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 4.195 3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 3.900 3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 4.443 5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 5.892 5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 6.970 4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 7.059 3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 7.919 4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 8.070 2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 8.941 3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 9.011 2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 10.040 1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 10.859 2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 3.522 6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 3.865 7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 2.337 5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 2.127 5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 1.317 7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 0.714 6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 -0.217 7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 -0.388 8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 -0.844 7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 -0.685 6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 -1.443 8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 0.243 6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 -0.593 6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 0.261 7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 0.958 8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 -0.790 8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 -0.506 9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 -0.787 10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 -0.432 11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 0.917 9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 -2.202 8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 -3.164 7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 -2.447 8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 -1.673 8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 -3.773 8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 -3.798 9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 -3.418 11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 -3.794 12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 -2.934 13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 -5.091 12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 -5.652 12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 -5.434 13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 -4.245 7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 -5.327 7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 -3.436 6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 -2.585 6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 -3.883 5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 -2.784 4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 -5.170 4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 -5.399 4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 -6.062 4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 -5.844 4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 -7.347 3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 -8.634 4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 -8.824 5.005 -10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 -9.079 5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 -8.544 5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 -7.487 2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 -7.078 2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 -8.082 1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 -8.392 1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 -8.297 0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 -7.078 -0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 -7.190 -2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 -6.955 -1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 -7.565 -3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 -7.758 -3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 -7.632 -3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 -9.598 -0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 -9.696 -1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 -10.578 -0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 -10.457 -0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 -11.890 -1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 -12.923 -0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 -14.323 -0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 -15.159 -0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 -16.541 -0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 -17.219 -0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 -16.877 0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 -16.004 1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 -15.030 1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 -16.302 2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 -18.138 1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 -18.773 0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 -18.476 2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 -11.885 -2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 -11.329 -3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 -12.502 -3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 -12.931 -2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 -12.553 -4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 -12.139 -5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 -10.703 -5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 -10.552 -4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 -9.706 -5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 -9.918 -5.968 -9.309 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 -8.796 -5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 -13.922 -5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 -14.960 -4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 -13.810 -6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 -12.921 -6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 -14.950 -7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 -14.544 -8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 -14.377 -9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 -15.131 -10.090 -9.745 1.00 15.00 A H +ATOM 461 CG2 THR A 47 -13.316 -8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 -16.072 -7.495 -9.741 1.00 15.00 A C +ATOM 463 O THR A 47 -17.242 -7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 -15.692 -7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 -14.736 -7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 -16.606 -7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 -15.749 -8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 -14.780 -7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 -14.436 -6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 -14.414 -7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 -17.230 -6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 -17.929 -6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 -16.952 -5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 -16.361 -5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 -17.547 -3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 -16.636 -3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 -16.966 -1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 -15.561 -3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 -15.414 -4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 -14.584 -3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 -13.857 -3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 -12.906 -4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 -12.605 -5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 -13.574 -2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 -13.451 -2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 -12.888 -1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 -13.068 -1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 -11.865 -0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 -12.283 0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 -13.545 0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 -14.215 1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 -11.248 1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 -10.615 -0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 -10.814 -0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 -9.459 -0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 -9.475 -0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 -8.142 -0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 -7.089 -1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 -7.578 -2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 -8.240 -3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 -7.275 -3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 -7.705 1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 -7.798 1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 -7.259 1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 -7.163 1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 -6.911 2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 -7.923 3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 -9.347 3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 -9.722 4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 -10.294 2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 -11.016 4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 -11.584 2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 -11.943 3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 -13.220 4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 -13.845 3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 -5.503 3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 -5.012 2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 -4.898 4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 -5.353 4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 -3.581 4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 -2.346 3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 -2.283 2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 -1.281 4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 -1.405 5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 0.083 3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 1.063 4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 2.353 4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 1.270 4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 3.453 5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 0.190 2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 0.971 1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 -0.569 1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 -1.171 2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 -0.590 0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 -0.616 0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 0.487 1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 1.812 1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 0.198 2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 2.856 1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 1.218 3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 2.525 2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 -1.804 -0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 -2.010 -1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 -2.585 0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 -2.346 1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 -3.788 -0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 -3.451 -1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 -2.862 -0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 -4.013 0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 -4.660 -0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 -4.217 1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 -3.629 2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 -4.945 2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 -4.601 -0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 -4.865 -2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 -5.078 -0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 -4.845 0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 -5.935 -0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 -5.770 0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 -4.321 -0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 -6.902 -0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 -3.964 1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 -7.369 -0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 -7.991 0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 -7.966 -1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 -7.494 -2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 -9.299 -2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 -9.278 -3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 -10.563 -4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 -11.501 -4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 -10.555 -4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 -9.763 -3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 -11.342 -4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 -10.471 -1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 -10.475 -1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 -11.475 -1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 -11.399 -1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 -12.704 -0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 -13.492 -0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 -13.872 -0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 -13.774 -0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 -13.667 -1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 -14.631 -1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 -13.445 -3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 -12.695 -3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 -14.381 -4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 -14.340 -5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 -15.554 -6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 -15.952 -7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 -15.285 -8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 -14.315 -8.584 -0.048 1.00 15.00 A H +ATOM 592 CZ ARG A 61 -16.072 -9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 -17.018 -9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 -17.615 -9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 -17.156 -8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 -15.874 -10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 -15.148 -10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 -16.447 -11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 -14.116 -4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 -15.080 -4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 -12.833 -4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 -12.095 -3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 -12.611 -4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 -11.586 -5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 -11.853 -6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 -12.724 -7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 -11.238 -6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 -12.958 -8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 -11.473 -7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 -12.332 -8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 -12.587 -9.950 0.984 1.00 15.00 A O +ATOM 612 HH TYR A 62 -13.530 -10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 -12.045 -3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 -12.324 -3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 -11.272 -2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 -11.151 -2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 -10.605 -1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 -9.122 -1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 -8.599 -2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 -8.371 -3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 -8.220 -3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 -7.881 -4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 -7.649 -5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 -7.793 -4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 -8.236 -2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 -7.373 -5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 -7.808 -3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 -7.364 -5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 -11.085 0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 -10.750 0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 -11.708 0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 -11.924 0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 -12.078 2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 -13.477 2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 -13.899 1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 -11.050 2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 -10.812 2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 -14.131 3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 -13.721 4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 -15.490 3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 -16.336 4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 -17.699 4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 -18.345 3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 -18.200 5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 -15.481 4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 -15.068 5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 -15.951 3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 -16.246 2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 -15.992 4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 -15.181 3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 -15.720 2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 -16.728 2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 -15.090 2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 -17.452 4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 -17.726 5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 -18.380 4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 -18.058 3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 -19.801 4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 -20.457 3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 -21.662 4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 -19.750 2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 -18.818 2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 -20.315 2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 -19.893 2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 -18.411 2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 -18.293 2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 -16.938 2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 -16.441 1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 -16.310 3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 -16.946 4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 -16.464 4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 -17.923 4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 -15.061 2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 -14.510 2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 -14.646 3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 -19.919 0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 -20.053 0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 -19.395 0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 -19.310 0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 -18.946 -1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 -17.491 -1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 -16.677 -0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 -15.825 -0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 -17.026 -2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 -19.934 -1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 -20.186 -1.440 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 -20.426 -2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 -21.331 -3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 -22.005 -4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 -21.079 -4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 -20.120 -3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 -20.604 -4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 -19.524 -5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 -21.194 -4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 -22.023 -4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 -20.741 -5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 -19.385 -4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 -18.471 -5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 -19.317 -3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 -20.115 -3.100 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 -18.025 -3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 -17.828 -1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 -17.956 -2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 -18.991 -2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 -16.724 -3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 -15.973 -3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 -16.523 -2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 -15.888 -4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 -16.992 -5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 -16.604 -6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 -15.913 -6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 -16.835 -6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 -16.322 -6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 -17.605 -6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 -17.246 -7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 -15.702 -1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 -15.819 -1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 -14.970 -1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 -14.900 -1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 -14.241 0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 -15.232 1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 -14.481 2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 -13.252 2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 -15.080 3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 -16.035 3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 -14.543 4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 -13.523 -0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 -13.819 0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 -12.555 -0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 -12.357 -1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 -11.772 -1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 -11.139 -2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 -9.958 -2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 -12.244 -3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 -10.799 -0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 -10.574 0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 -10.250 0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 -10.451 0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 -9.343 1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 -10.143 2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 -9.508 3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 -8.477 2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 -7.187 0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 -11.434 2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 -11.821 2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 -12.303 3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 -12.081 5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 -12.130 6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 -11.866 5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 -11.867 4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 -11.628 6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 -10.096 6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 -9.671 5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 -9.229 6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 -8.368 5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 -12.476 6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 -13.044 5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 -12.480 7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 -12.069 8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 -13.058 7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 -13.448 8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 -14.450 9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 -15.764 9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 -16.737 10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 -16.461 11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 -18.000 9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 -18.527 8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 -19.516 8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 -17.947 7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 -18.757 10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 -18.355 11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 -19.745 10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 -11.939 7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 -10.774 7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 -12.142 6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 -13.056 6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 -11.062 5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 -10.364 7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 -9.185 6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 -11.584 4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 -12.293 3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 -11.016 8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 -11.944 8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 -10.400 9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 -11.492 10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 -12.047 10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 -11.439 11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 -9.220 9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 -8.307 10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 -9.136 9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 -9.876 9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 -8.004 10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 -8.280 9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 -9.548 10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 -9.831 10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 -10.805 9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 -8.876 11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 -8.120 11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 -8.970 11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 -6.746 9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 -5.678 9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 -6.870 8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 -7.771 7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 -5.784 7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 -6.299 5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 -6.792 5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 -7.360 3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 -5.637 5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 -5.140 7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 -4.166 7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 -5.697 8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 -6.453 9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 -5.137 9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 -6.297 9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 -7.119 8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 -8.286 8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 -6.377 7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 -4.376 10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 -3.975 11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 -4.183 11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 -4.515 10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 -3.466 12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 -3.968 13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 -3.548 12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 -3.177 12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 -5.491 13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 -1.974 12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 -1.397 11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 -1.343 13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 -1.848 14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 0.137 13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 0.545 14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 -0.171 15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 -0.591 14.331 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 -0.377 16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 0.778 13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 1.802 12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 0.147 13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 -0.642 14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 0.549 13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 -0.029 14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 0.029 13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 1.111 13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 -1.057 13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 0.130 11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 -1.057 11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 1.131 11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 2.012 11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 0.985 9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 2.348 8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 2.759 8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 2.954 9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 4.090 7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 0.481 9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 0.241 8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 0.334 10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 0.481 11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 -0.045 9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 -0.362 11.183 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 0.828 11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 0.770 12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 -0.719 10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 -1.201 8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 -1.013 7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 -2.325 9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 -2.388 9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 -3.491 8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 -4.806 8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 -6.006 8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 -5.066 10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 -3.232 6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 -3.623 5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 -2.648 6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 -2.397 7.771 4.044 1.00 15.00 A H +ATOM 875 CA ALA A 91 -2.356 5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 -1.699 5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 -1.454 4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 -1.656 3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 -0.463 5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 -0.381 6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 0.527 4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 1.798 5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 2.664 5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 2.629 4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 3.717 6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 -0.176 4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 0.033 2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 -1.000 4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 -1.137 5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 -1.706 4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 -2.472 5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 -3.524 5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 -3.994 6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 -2.897 7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 -2.214 7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 -2.679 8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 -3.600 9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 -3.410 10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 -4.503 9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 -1.496 9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 -1.281 9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 -0.800 8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 -2.580 3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 -2.667 2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 -3.261 3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 -3.163 4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 -4.171 2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 -3.345 0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 -3.722 -0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 -5.185 2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 -6.324 1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 -2.286 1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 -2.082 1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 -1.391 -0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 -0.242 0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 -0.841 -0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 -0.712 -1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 -0.479 0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 -0.528 1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 -0.013 -0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 0.386 0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 1.714 1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 2.028 2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 3.364 2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 3.607 4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 4.534 4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 3.591 3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 2.869 4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 -1.116 -1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 -0.795 -2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 -2.366 -0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 -2.541 -0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 -3.505 -1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 -4.782 -0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 -6.023 -1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 -5.930 -2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 -6.987 -3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 -7.703 -3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 -7.059 -4.596 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 -6.142 -5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 -5.254 -4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 -6.320 -6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 -8.185 -5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 -8.294 -6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 -8.945 -4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 -3.717 -2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 -3.987 -4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 -3.556 -2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 -3.309 -2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 -3.738 -4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 -3.644 -3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 -3.652 -4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 -4.717 -2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 -2.737 -5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 -3.225 -6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 -1.465 -4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 -1.184 -3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 -0.489 -5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 1.002 -5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 1.258 -5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 1.358 -4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 -0.564 -6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 0.210 -7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 -1.399 -6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 -1.923 -5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 -1.580 -6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 -2.096 -5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 -1.273 -4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 -2.052 -3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 0.077 -4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 -2.534 -7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 -2.574 -8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 -3.244 -7.971 10.446 1.00 15.00 A N +ATOM 974 HN ASP A 101 -3.186 -7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 -4.130 -9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 -5.182 -8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 -6.498 -8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 -6.560 -7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 -7.513 -8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 -3.193 -10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 -2.003 -10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 -3.770 -11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 -3.051 -12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 -4.164 -13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 -5.058 -13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 -5.182 -11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 -2.311 -12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 -1.173 -13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 -2.770 -12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 -3.590 -11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 -2.043 -12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 -2.974 -12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 -3.790 -13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 -3.522 -14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 -4.773 -13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 -4.961 -13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 -5.279 -14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 -0.814 -11.806 6.340 1.00 15.00 A C +ATOM 999 O ASN A 103 -0.010 -11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 -0.674 -10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 -1.335 -10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 0.515 -9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 0.577 -9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 -0.439 -8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 1.788 -9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 2.573 -9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 1.967 -8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 3.435 -7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 3.622 -6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 4.417 -9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 4.921 -5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 1.541 -9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 1.508 -8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 1.211 -10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 1.274 -10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 0.767 -11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 -0.615 -11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 -1.172 -11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 -1.202 -10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 -0.752 -9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 -2.505 -9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 -3.002 -8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 -2.431 -8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 -3.457 -8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 -1.303 -8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 -0.537 -8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 -1.066 -7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 -0.012 -6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 -0.497 -5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 -1.117 -4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 -0.440 -5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 -1.418 -3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 -1.852 -2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 -1.011 -3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 0.078 -5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 -1.101 -3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 -0.003 -4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 -0.591 -3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 -0.629 -8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 0.433 -9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 -1.415 -8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 -2.231 -8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 -1.106 -9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 -2.196 -9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 -1.836 -11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 -3.564 -10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 0.209 -9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 0.951 -10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 0.451 -8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 -0.190 -7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 1.706 -7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 1.788 -6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 2.927 -8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 3.935 -8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 2.799 -8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 1.956 -7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 3.953 -8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 3.739 -8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 4.905 -8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 6.068 -7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 5.028 -9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 6.888 -8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 7.760 -8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 6.264 -9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 4.161 -10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 6.689 -10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 4.573 -11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 5.804 -11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 4.186 -10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 5.336 -10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 3.127 -10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 2.261 -10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 3.181 -12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 1.778 -12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 1.310 -12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 0.248 -13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 -0.766 -14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 -0.595 -14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 -1.911 -13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 -2.247 -12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 -3.142 -12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 -1.613 -12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 -2.766 -13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 -3.652 -13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 -2.541 -14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 3.853 -12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 4.749 -13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 3.505 -11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 2.921 -11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 3.932 -12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 3.003 -11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 2.388 -12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 1.670 -13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 1.356 -11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 5.369 -11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 6.193 -12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 5.666 -10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 4.982 -9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 6.984 -9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 6.837 -8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 5.898 -8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 4.619 -8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 4.208 -7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 6.097 -9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 4.011 -8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 4.900 -8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 4.721 -9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 7.995 -9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 9.127 -9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 7.682 -9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 6.775 -9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 8.607 -9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 8.946 -10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 10.076 -10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 7.998 -8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 7.339 -6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 7.937 -11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 7.072 -11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 8.152 -12.507 -1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 6.884 -13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 6.987 -14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 5.706 -15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 5.557 -15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 4.715 -15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 4.852 -14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 3.888 -15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 9.306 -13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 9.295 -13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 10.262 -13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 10.194 -13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 11.424 -14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 10.961 -15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 10.224 -16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 10.497 -16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 9.241 -17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 9.050 -17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 8.757 -18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 12.439 -13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 13.307 -14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 12.330 -12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 11.632 -12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 13.251 -12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 12.433 -11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 12.720 -11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 11.435 -12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 10.696 -12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 11.205 -11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 11.864 -10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 10.389 -11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 14.341 -11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 14.221 -11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 15.328 -10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 15.361 -11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 16.381 -9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 17.786 -9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 18.862 -9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 18.725 -8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 19.837 -10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 15.772 -8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 15.572 -8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 15.523 -7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 15.749 -8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 14.874 -6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 13.659 -6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 12.548 -7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 11.387 -7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 11.960 -7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 15.838 -5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 15.412 -4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 17.122 -5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 17.412 -6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 18.129 -4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 19.520 -5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 20.161 -4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 19.253 -4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 19.467 -3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 20.113 -2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 18.815 -3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 17.727 -3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 17.243 -3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 17.370 -4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 19.261 -2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 20.107 -1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 18.758 -2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 18.089 -3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 18.223 -2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 17.862 -3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 17.762 -4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 17.766 -2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 17.413 -3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 16.457 -4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 15.574 -4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 16.715 -1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 16.859 -0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 15.666 -2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 15.616 -3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 14.572 -1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 13.281 -1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 12.621 -2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 11.772 -2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 12.888 -4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 11.159 -2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 12.288 -4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 11.440 -4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 10.837 -5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 10.493 -5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 14.987 0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 14.343 1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 15.974 -0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 16.393 -1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 16.471 0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 16.359 0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 14.901 0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 17.080 -0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 17.877 1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 18.439 2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 18.433 0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 17.921 0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 19.776 1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 20.259 0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 19.799 2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 18.975 3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 20.835 3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 21.428 2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 21.179 4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 20.345 5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 20.510 6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 19.482 5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 19.429 4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 18.606 6.078 -1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 19.266 6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 18.678 7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 17.330 5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 16.488 4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 20.381 6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 20.726 5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 21.126 6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 20.300 6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 20.329 7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 19.510 5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 19.544 4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 18.597 5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 17.109 5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 16.867 6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 16.562 4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 18.688 3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 18.742 3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 -1.191 -4.563 -14.971 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 -0.448 -3.762 -15.114 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 -1.163 -5.402 -16.115 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 -1.379 -4.885 -16.894 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 -0.859 -5.285 -13.644 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 -0.698 -4.504 -12.883 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 0.384 -6.065 -13.758 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 0.406 -6.810 -14.394 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 1.535 -5.814 -13.018 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 1.664 -4.908 -12.173 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 2.716 -6.735 -13.283 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 2.445 -7.776 -13.061 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 3.569 -6.452 -12.650 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 3.024 -6.669 -14.336 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 -2.021 -6.174 -13.165 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 -2.172 -6.992 -13.884 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 -1.705 -6.703 -11.864 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 -2.427 -7.259 -11.562 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 -3.311 -5.345 -13.058 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 -3.161 -4.562 -12.298 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 -4.418 -6.231 -12.644 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 -3.667 -4.681 -14.400 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 -3.818 -5.475 -15.148 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 -2.502 -3.879 -14.856 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 -4.907 -3.774 -14.372 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 -5.777 -4.382 -14.099 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 -5.076 -3.357 -15.378 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 -4.721 -2.711 -13.423 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 -4.556 -1.890 -13.893 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 -5.053 -5.868 -11.365 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 -5.481 -4.856 -11.413 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 -6.164 -6.889 -11.054 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 -5.719 -7.895 -11.095 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 -7.229 -6.804 -12.064 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 -7.712 -5.956 -12.158 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 -7.600 -7.853 -12.900 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 -7.084 -8.988 -12.902 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 -8.727 -7.564 -13.879 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 -8.448 -6.738 -14.548 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 -8.940 -8.454 -14.488 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 -9.641 -7.283 -13.337 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 -6.741 -6.668 -9.641 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 -7.246 -5.691 -9.604 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 -7.670 -7.726 -9.343 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 -8.381 -7.717 -9.988 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 -5.611 -6.700 -8.598 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 -5.139 -7.694 -8.630 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 -6.168 -6.462 -7.252 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 -4.546 -5.636 -8.898 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 -5.006 -4.636 -8.883 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 -4.061 -5.900 -10.266 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 -3.342 -5.684 -7.949 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 -2.886 -6.679 -8.010 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 -3.680 -5.514 -6.914 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 -2.401 -4.673 -8.336 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 -2.185 -4.131 -7.574 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 -5.886 -7.547 -6.299 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 -4.807 -7.756 -6.260 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 -6.382 -7.136 -4.900 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 -7.441 -6.847 -4.984 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 -5.610 -5.983 -4.418 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 -6.130 -5.167 -4.253 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 -4.214 -5.869 -4.151 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 -3.379 -6.782 -4.295 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 -3.733 -4.515 -3.654 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 -4.234 -4.254 -2.712 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 -3.954 -3.736 -4.397 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 -2.648 -4.536 -3.480 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 -6.269 -8.312 -3.910 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 -5.207 -8.553 -3.757 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 -6.880 -7.930 -2.664 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 -7.805 -7.722 -2.814 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 -7.000 -9.548 -4.461 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 -8.066 -9.296 -4.576 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 -6.861 -10.674 -3.515 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 -6.440 -9.961 -5.829 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 -5.368 -10.196 -5.734 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 -6.576 -8.787 -6.712 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 -7.184 -11.132 -6.483 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 -8.237 -10.853 -6.609 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 -7.130 -12.016 -5.827 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 -6.582 -11.417 -7.753 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 -6.652 -10.643 -8.318 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 -8.154 -11.194 -3.039 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 -8.813 -11.426 -3.889 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 -7.941 -12.462 -2.197 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 -7.250 -12.222 -1.374 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 -7.349 -13.514 -3.035 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 -7.847 -13.811 -3.825 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 -6.120 -14.117 -2.783 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 -5.371 -13.849 -1.824 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 -5.683 -15.187 -3.770 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 -5.600 -14.762 -4.781 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 -6.414 -16.007 -3.795 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 -4.705 -15.597 -3.481 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 -9.279 -12.950 -1.601 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 -9.906 -13.341 -2.416 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 -8.997 -14.000 -0.655 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 -8.450 -13.653 0.053 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 -10.043 -11.831 -0.865 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 -9.516 -11.589 0.070 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 -11.369 -12.307 -0.579 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 -11.314 -13.088 -0.023 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 -10.181 -10.556 -1.720 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 -10.804 -10.774 -2.601 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 -8.835 -10.193 -2.198 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 -10.742 -9.340 -0.972 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 -10.060 -9.087 -0.151 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 -11.727 -9.590 -0.546 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 -10.859 -8.242 -1.889 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 -11.517 -7.624 -1.563 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_8.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_8.pdb new file mode 100644 index 000000000..676e66ca2 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_8.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_8.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_8.pdb +REMARK =============================================================== +REMARK HADDOCK score: -38.1974 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 1.75503, 0, 0, 0, 0, -31.4907, -0.254809, 33.5006, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.366063,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 1, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 0.716449 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 1.23796 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -30.5076 +REMARK =============================================================== +REMARK buried surface area: 802.477 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 -12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 -11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 -12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 -13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 -13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 -13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 -13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 -14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 -14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 -14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 -15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 -11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 -10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 -11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 -12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 -10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 -9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 -8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 -9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 -10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 -11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 -9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 -8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 -9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 -8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 -9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 -9.854 -3.448 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 -10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 -10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 -10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 -11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 -11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 -12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 -8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 -8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 -9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 -10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 -8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 -10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 -9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 -9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 -9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 -7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 -7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 -6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 -6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 -5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 -4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 -3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 -2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 -3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 -3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 -3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 -2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 -2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 -2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 -3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 -4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 -3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 -5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 -5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 -6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 -7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 -7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 -8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 -8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 -7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 -6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 -8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 -8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 -9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 -10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 -11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 -12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 -12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 -13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 -9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 -9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 -8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 -7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 -7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 -6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 -5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 -6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 -4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.961 -6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 -6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 -5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 -5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 -5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 -4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 -5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 -5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 -7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 -7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 -8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 -9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 -9.222 1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 -10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 -11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 -12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 -11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 -10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 -11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 -10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 -12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 -12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 -12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 -8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 -8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 -8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 -8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 -8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 -9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 -7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 -7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 -6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 -6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 -5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 -4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 -4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 -2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 -4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 -5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 -4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 -5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 -5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 -5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 -5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 -5.456 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 -4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 -3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 -2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 -1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 -2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 -2.637 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 -6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 -5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 -7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 -7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 -8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 -9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 -8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 -8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 -7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 -7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 -7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 -6.897 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 -8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 -8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 -5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 -5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 -5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 -5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 -3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 -2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 -1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 -2.679 8.997 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 -3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 -1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 -1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 -2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 -1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 -0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 -0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 -0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 -1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 -0.683 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 -0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 2.408 8.427 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 3.280 10.325 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 2.602 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 2.628 11.014 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 6.897 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 7.402 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.750 8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 4.408 6.376 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.456 3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 -1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 -1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 -2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 4.199 -0.170 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.051 2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 -0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 -1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 -1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.778 3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 3.871 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 -0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 -1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 -1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 -0.496 -1.314 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 -0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 -0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 0.426 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 5.231 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 -0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 -0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 -1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 -2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 -2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 -2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 -2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 -3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 -1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 -1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 -2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 -2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 -1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.111 -1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 -3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 -5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 -3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 -3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 -5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 -5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 -4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 -3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 -4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 -2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 -3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 -2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 -1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 -2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 -6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 -7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 -5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 -5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 -7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 -6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 -7.936 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 -8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 -7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 -6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 -8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 -6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 -6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 -7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 -8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 -8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 -9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 -10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 -11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 -9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 -8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 -7.852 -4.557 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 -8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 -8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 -8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 -9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 -11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.794 -12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 -13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 -12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 -12.149 -7.456 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 -13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 -7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 -7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 -6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 -6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 -5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 -4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 -4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 -4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 -4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 -4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 -3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 -4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 -5.005 -10.020 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 -5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 -5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 -2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 -2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 -1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 -1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.297 -0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 0.981 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 -0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 -1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 -1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 -2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 -1.293 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 -0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 -2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 3.343 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 5.968 -9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.951 7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 10.090 -9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 7.495 -9.740 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 7.466 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 -0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 -0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 -1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 -1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 -1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 -1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 -1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 -1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 -2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 -3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 -3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 -4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 -2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 -4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.584 -2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 -3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 -4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 -3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 -3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 -2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 -4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 -4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 -4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 -3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 -2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 -4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 -5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 -3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 -4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 -4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 -4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 -5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 -2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 -1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 -1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 -2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 -0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 -0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 -1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 -1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 -2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 -1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 -3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 -2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 -0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 -1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 -0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 -1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 -2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 -2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 -0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 -0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 -1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 -0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.343 4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 3.493 -0.618 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 8.584 -0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.959 8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 9.950 0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 -0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 -0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 -0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 -0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 -2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 -2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 -1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 -2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 -2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 -3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 -4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 -3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 -4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 -4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 -3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 -5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 -4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 -5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 -3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 -2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 -4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 -3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 -2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 -2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 -2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 -4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 -5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 -4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.059 -3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 -4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 -3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 -4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 -2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 -2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 -2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 -2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 -2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 -2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 -2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 -1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 -3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 -4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 -4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 -4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 -2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 -2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 -3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 -0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 -0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 -0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 -0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 0.249 -2.244 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 1.439 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 3.099 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.606 6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 -0.121 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 -1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 -2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 -2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 -3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 -3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 -4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 -0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 -0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 -0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 -0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 -1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 -2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 -3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 -2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 -0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 -2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.822 -2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 -3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 -5.266 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 -6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 -5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.868 -4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 -6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 -6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 -5.122 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 -6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 -5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 -6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 -5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 -7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 -8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 -7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 -8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 -9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 -9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.737 -10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 -11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 -9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 -8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 -8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 -7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 -10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 -11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 -10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 -7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 -7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 -6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 -6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 -5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 -7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 -6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 -4.889 -0.549 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 -3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 -8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 -8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 -9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 -10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 -10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 -11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 -9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 -10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 -9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 -9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 -10.035 1.937 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 -9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 -10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 -10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 -9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 -11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 -11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 -11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 -9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 -9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 -8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 -7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 -7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 -5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 -5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 -3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 -5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 -7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 -7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 -8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 -9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 -9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 -9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 -8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 -8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 -7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 -10.669 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 -11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 -11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 -10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 -12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 -13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 -12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 -12.599 1.985 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 -13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 -12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 -11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 -13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 -14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 -13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 -14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 -15.157 -3.812 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 -14.330 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 -16.360 -4.120 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 -13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 -12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 -13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 -14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 -13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 -14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 -13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 -13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 -13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 -11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 -11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 -11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 -11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 -9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 -8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 -8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 -9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 -7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 -9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 -8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 -10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 -11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 -9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 -11.184 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 -11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 -12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 -10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 -8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 -7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 -9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 -9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 -8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 -8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 -8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 -10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 -6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 -5.893 6.211 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 -6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 -7.771 4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 -5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 -5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 -4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 -3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 -5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 -6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 -4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 -5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 -5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 -4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 -6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 -4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 -2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 -4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 -5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 -4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 -5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 -5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 -6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 -7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 -7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 -8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 -9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 -10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 -9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 -9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 -9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 -8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 -3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 -2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 -3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 -4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.171 -2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 -0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 -2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 -1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 -1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 -1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 -0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 -0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 -1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 -0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 -1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 -2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 -2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 -4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 -4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 -3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 -4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 4.595 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.987 4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.273 4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 7.971 10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.561 7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 8.474 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.174 13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.975 12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 11.806 6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.674 10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.106 9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 8.561 0.538 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.652 13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 12.507 -1.841 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.884 13.322 -1.683 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.706 15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 13.298 -0.548 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 15.885 -2.392 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 7.730 -3.329 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 5.386 -2.473 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 -0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 -1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 -0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 -0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 -0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 -1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 -2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 -0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 -0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 -1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 -0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 -2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.975 -3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 -3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 -2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 -4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 -5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 -6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 -5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 -4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 -6.078 -1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 -6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 -7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 -5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 -4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 -6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 -5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 -6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 -6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 -7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 -5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 -4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 -5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 -5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 -6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 -4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 -3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 -3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 8.038 6.172 -4.501 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 8.091 5.073 -4.451 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 7.498 6.532 -5.763 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 8.066 6.196 -6.459 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 7.210 6.662 -3.290 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 7.601 6.143 -2.401 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 5.790 6.301 -3.435 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 5.288 6.689 -4.183 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 5.110 5.444 -2.577 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 5.606 4.875 -1.586 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 3.644 5.198 -2.898 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 3.084 6.143 -2.874 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 3.203 4.510 -2.163 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 3.541 4.755 -3.899 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 7.369 8.176 -3.058 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 6.943 8.720 -3.912 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 6.690 8.540 -1.842 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 6.786 9.484 -1.693 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 8.857 8.535 -2.915 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 9.256 8.021 -2.027 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 8.984 9.996 -2.741 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 9.662 8.099 -4.152 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 9.255 8.623 -5.031 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 9.438 6.647 -4.377 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 11.175 8.355 -4.070 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 11.341 9.434 -3.970 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 11.653 8.015 -5.003 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 11.736 7.657 -2.947 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 12.230 6.895 -3.260 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 9.606 10.415 -1.473 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 10.626 10.013 -1.385 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 9.647 11.954 -1.423 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 8.625 12.324 -1.596 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 10.521 12.474 -2.485 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 11.467 12.216 -2.474 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 10.094 13.313 -3.509 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 8.928 13.728 -3.660 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 11.154 13.741 -4.512 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 11.584 12.862 -5.011 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 10.714 14.398 -5.275 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 11.962 14.286 -4.003 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 10.119 12.451 -0.042 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 11.163 12.143 0.117 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 10.006 13.887 0.003 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 10.555 14.270 -0.685 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 9.235 11.856 1.066 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 8.201 12.200 0.906 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 9.709 12.316 2.385 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 9.256 10.322 1.030 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 10.286 9.961 1.175 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 8.815 9.925 -0.321 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 8.314 9.667 2.049 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 7.293 10.019 1.859 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 8.606 9.968 3.068 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 8.390 8.242 1.909 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 8.573 7.848 2.765 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 8.683 13.027 3.164 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 7.773 12.415 3.252 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 9.234 13.335 4.568 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 10.189 13.869 4.452 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 9.475 12.081 5.294 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 10.407 11.915 5.551 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 8.555 11.062 5.684 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 7.331 11.076 5.456 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 9.142 9.878 6.435 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 9.619 10.214 7.365 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 9.897 9.371 5.816 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 8.352 9.157 6.686 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 8.260 14.233 5.355 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 7.332 13.676 5.549 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 8.881 14.616 6.596 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 9.689 15.100 6.412 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 7.935 15.505 4.552 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 8.872 16.064 4.398 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 6.981 16.343 5.306 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 7.336 15.158 3.182 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 6.409 14.579 3.320 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 8.318 14.295 2.498 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 7.074 16.375 2.288 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 8.020 16.905 2.128 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 6.369 17.058 2.790 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 6.529 15.928 1.038 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 7.161 15.348 0.605 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 7.494 17.695 5.587 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 7.847 18.173 4.662 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 6.393 18.560 6.221 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 6.024 18.049 7.123 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 5.286 18.721 5.269 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 5.477 19.141 4.404 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 3.978 18.312 5.512 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 3.579 17.764 6.558 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 2.976 18.569 4.398 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 3.283 18.045 3.481 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 2.912 19.645 4.181 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 1.979 18.211 4.690 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 6.952 19.943 6.622 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 7.170 20.514 5.707 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 5.951 20.628 7.399 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 5.766 20.124 8.195 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 8.235 19.839 7.472 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 7.976 19.461 8.472 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 8.814 21.151 7.570 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 8.187 21.745 7.992 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 9.288 18.913 6.832 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 9.629 19.351 5.882 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 8.627 17.632 6.527 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 10.496 18.602 7.726 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 10.142 18.087 8.628 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 10.986 19.542 8.026 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 11.412 17.772 6.997 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 12.292 17.868 7.368 1.00 15.00 B H +END diff --git a/integration_tests/golden_data/models_for_clustering/rigidbody_9.pdb b/integration_tests/golden_data/models_for_clustering/rigidbody_9.pdb new file mode 100644 index 000000000..3c4f6e3e9 --- /dev/null +++ b/integration_tests/golden_data/models_for_clustering/rigidbody_9.pdb @@ -0,0 +1,1403 @@ +REMARK FILENAME="rigidbody_9.pdb" +REMARK =============================================================== +REMARK HADDOCK stats for rigidbody_9.pdb +REMARK =============================================================== +REMARK HADDOCK score: -35.0887 +REMARK =============================================================== +REMARK initial structure 1 - ../00_topoaa/1LMQ_r_u_haddock.pdb +REMARK initial structure 2 - ../00_topoaa/1LMQ_l_u_haddock.pdb +REMARK =============================================================== +REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg +REMARK energies: 142.083, 0, 0, 0, 0, -26.3367, -2.17254, 170.592, 0, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs +REMARK rms-dev.: 0,0,0,0,0.899599,0,0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK air,cdih,coup,rdcs,vean,dani,xpcs +REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 +REMARK violations.: 1, 0, 0, 0, 0, 0, 0 +REMARK =============================================================== +REMARK CVpartition#,violations,rms +REMARK AIRs cross-validation: 2, 3, 0.725501 +REMARK =============================================================== +REMARK NCS energy: 0 +REMARK =============================================================== +REMARK Symmetry energy: 0 +REMARK =============================================================== +REMARK Membrane restraining energy: 0 +REMARK =============================================================== +REMARK Local cross-correlation: 0.0000 +REMARK =============================================================== +REMARK Desolvation energy: 0.786272 +REMARK Internal energy free molecules: 3903.28 +REMARK Internal energy complex: 3903.28 +REMARK Binding energy: -27.723 +REMARK =============================================================== +REMARK buried surface area: 907.17 +REMARK =============================================================== +REMARK water - chain_1: 0 0 0 +REMARK water - chain_2: 0 0 0 +REMARK =============================================================== +REMARK water - water: 0 0 0 +REMARK =============================================================== +REMARK DATE:09-Oct-2024 12:34:38 created by user: unknown +REMARK VERSION:1.3U +ATOM 1 N LYS A 1 -0.200 -12.421 -6.252 1.00 15.00 A N +ATOM 2 HN LYS A 1 0.292 -11.730 -6.743 1.00 15.00 A H +ATOM 3 CA LYS A 1 -1.636 -12.583 -6.489 1.00 15.00 A C +ATOM 4 CB LYS A 1 -2.306 -13.099 -5.206 1.00 15.00 A C +ATOM 5 CG LYS A 1 -3.859 -13.073 -5.246 1.00 15.00 A C +ATOM 6 CD LYS A 1 -4.258 -13.697 -3.918 1.00 15.00 A C +ATOM 7 CE LYS A 1 -5.674 -13.484 -3.488 1.00 15.00 A C +ATOM 8 NZ LYS A 1 -6.527 -14.513 -4.127 1.00 15.00 A N +ATOM 9 HZ1 LYS A 1 -6.463 -14.437 -5.163 1.00 15.00 A H +ATOM 10 HZ2 LYS A 1 -7.518 -14.384 -3.842 1.00 15.00 A H +ATOM 11 HZ3 LYS A 1 -6.217 -15.464 -3.840 1.00 15.00 A H +ATOM 12 C LYS A 1 -2.319 -11.304 -6.907 1.00 15.00 A C +ATOM 13 O LYS A 1 -1.994 -10.254 -6.348 1.00 15.00 A O +ATOM 14 N VAL A 2 -3.251 -11.389 -7.846 1.00 15.00 A N +ATOM 15 HN VAL A 2 -3.433 -12.258 -8.261 1.00 15.00 A H +ATOM 16 CA VAL A 2 -4.018 -10.215 -8.280 1.00 15.00 A C +ATOM 17 CB VAL A 2 -4.147 -9.982 -9.788 1.00 15.00 A C +ATOM 18 CG1 VAL A 2 -4.982 -8.732 -10.041 1.00 15.00 A C +ATOM 19 CG2 VAL A 2 -2.776 -9.979 -10.439 1.00 15.00 A C +ATOM 20 C VAL A 2 -5.391 -10.387 -7.600 1.00 15.00 A C +ATOM 21 O VAL A 2 -6.121 -11.304 -7.948 1.00 15.00 A O +ATOM 22 N TYR A 3 -5.593 -9.513 -6.635 1.00 15.00 A N +ATOM 23 HN TYR A 3 -4.900 -8.851 -6.429 1.00 15.00 A H +ATOM 24 CA TYR A 3 -6.828 -9.519 -5.872 1.00 15.00 A C +ATOM 25 CB TYR A 3 -6.689 -8.739 -4.542 1.00 15.00 A C +ATOM 26 CG TYR A 3 -6.016 -9.547 -3.467 1.00 15.00 A C +ATOM 27 CD1 TYR A 3 -4.657 -9.854 -3.447 1.00 15.00 A C +ATOM 28 CD2 TYR A 3 -6.799 -10.028 -2.406 1.00 15.00 A C +ATOM 29 CE1 TYR A 3 -4.097 -10.621 -2.418 1.00 15.00 A C +ATOM 30 CE2 TYR A 3 -6.270 -10.808 -1.364 1.00 15.00 A C +ATOM 31 CZ TYR A 3 -4.906 -11.107 -1.383 1.00 15.00 A C +ATOM 32 OH TYR A 3 -4.324 -11.862 -0.388 1.00 15.00 A O +ATOM 33 HH TYR A 3 -4.877 -12.623 -0.198 1.00 15.00 A H +ATOM 34 C TYR A 3 -7.961 -8.901 -6.672 1.00 15.00 A C +ATOM 35 O TYR A 3 -7.835 -8.003 -7.503 1.00 15.00 A O +ATOM 36 N ASP A 4 -9.109 -9.414 -6.327 1.00 15.00 A N +ATOM 37 HN ASP A 4 -9.079 -10.175 -5.710 1.00 15.00 A H +ATOM 38 CA ASP A 4 -10.430 -8.980 -6.759 1.00 15.00 A C +ATOM 39 CB ASP A 4 -11.418 -10.134 -6.705 1.00 15.00 A C +ATOM 40 CG ASP A 4 -12.857 -9.759 -6.444 1.00 15.00 A C +ATOM 41 OD1 ASP A 4 -13.464 -9.452 -7.504 1.00 15.00 A O +ATOM 42 OD2 ASP A 4 -13.426 -9.739 -5.330 1.00 15.00 A O +ATOM 43 C ASP A 4 -10.658 -7.800 -5.797 1.00 15.00 A C +ATOM 44 O ASP A 4 -10.237 -7.948 -4.617 1.00 15.00 A O +ATOM 45 N ARG A 5 -11.304 -6.752 -6.251 1.00 15.00 A N +ATOM 46 HN ARG A 5 -11.600 -6.753 -7.185 1.00 15.00 A H +ATOM 47 CA ARG A 5 -11.602 -5.585 -5.425 1.00 15.00 A C +ATOM 48 CB ARG A 5 -12.476 -4.614 -6.241 1.00 15.00 A C +ATOM 49 CG ARG A 5 -12.911 -3.399 -5.431 1.00 15.00 A C +ATOM 50 CD ARG A 5 -13.754 -2.477 -6.241 1.00 15.00 A C +ATOM 51 NE ARG A 5 -14.969 -3.067 -6.789 1.00 15.00 A N +ATOM 52 HE ARG A 5 -14.904 -3.436 -7.695 1.00 15.00 A H +ATOM 53 CZ ARG A 5 -16.148 -3.148 -6.171 1.00 15.00 A C +ATOM 54 NH1 ARG A 5 -16.373 -2.584 -4.996 1.00 15.00 A N +ATOM 55 HH11 ARG A 5 -15.616 -2.053 -4.520 1.00 15.00 A H +ATOM 56 HH12 ARG A 5 -17.307 -2.670 -4.547 1.00 15.00 A H +ATOM 57 NH2 ARG A 5 -17.148 -3.815 -6.750 1.00 15.00 A N +ATOM 58 HH21 ARG A 5 -17.004 -4.267 -7.676 1.00 15.00 A H +ATOM 59 HH22 ARG A 5 -18.071 -3.884 -6.275 1.00 15.00 A H +ATOM 60 C ARG A 5 -12.290 -5.908 -4.099 1.00 15.00 A C +ATOM 61 O ARG A 5 -11.879 -5.417 -3.040 1.00 15.00 A O +ATOM 62 N CYS A 6 -13.347 -6.698 -4.120 1.00 15.00 A N +ATOM 63 HN CYS A 6 -13.643 -7.072 -4.977 1.00 15.00 A H +ATOM 64 CA CYS A 6 -14.094 -7.035 -2.902 1.00 15.00 A C +ATOM 65 C CYS A 6 -13.325 -8.044 -2.062 1.00 15.00 A C +ATOM 66 O CYS A 6 -13.450 -8.022 -0.826 1.00 15.00 A O +ATOM 67 CB CYS A 6 -15.498 -7.540 -3.254 1.00 15.00 A C +ATOM 68 SG CYS A 6 -16.659 -6.252 -3.712 1.00 15.00 A S +ATOM 69 N GLU A 7 -12.547 -8.905 -2.683 1.00 15.00 A N +ATOM 70 HN GLU A 7 -12.510 -8.898 -3.662 1.00 15.00 A H +ATOM 71 CA GLU A 7 -11.730 -9.881 -1.938 1.00 15.00 A C +ATOM 72 CB GLU A 7 -11.107 -10.859 -2.912 1.00 15.00 A C +ATOM 73 CG GLU A 7 -10.186 -11.908 -2.365 1.00 15.00 A C +ATOM 74 CD GLU A 7 -9.395 -12.549 -3.472 1.00 15.00 A C +ATOM 75 OE1 GLU A 7 -9.278 -12.116 -4.599 1.00 15.00 A O +ATOM 76 OE2 GLU A 7 -8.900 -13.586 -2.996 1.00 15.00 A O +ATOM 77 C GLU A 7 -10.713 -9.136 -1.083 1.00 15.00 A C +ATOM 78 O GLU A 7 -10.459 -9.477 0.103 1.00 15.00 A O +ATOM 79 N LEU A 8 -10.158 -8.090 -1.725 1.00 15.00 A N +ATOM 80 HN LEU A 8 -10.380 -7.917 -2.663 1.00 15.00 A H +ATOM 81 CA LEU A 8 -9.219 -7.213 -1.018 1.00 15.00 A C +ATOM 82 CB LEU A 8 -8.501 -6.300 -2.024 1.00 15.00 A C +ATOM 83 CG LEU A 8 -7.495 -5.267 -1.484 1.00 15.00 A C +ATOM 84 CD1 LEU A 8 -6.312 -6.003 -0.858 1.00 15.00 A C +ATOM 85 CD2 LEU A 8 -7.098 -4.308 -2.635 1.00 15.00 A C +ATOM 86 C LEU A 8 -9.960 -6.438 0.070 1.00 15.00 A C +ATOM 87 O LEU A 8 -9.406 -6.320 1.162 1.00 15.00 A O +ATOM 88 N ALA A 9 -11.132 -5.878 -0.218 1.00 15.00 A N +ATOM 89 HN ALA A 9 -11.507 -5.973 -1.119 1.00 15.00 A H +ATOM 90 CA ALA A 9 -11.873 -5.116 0.805 1.00 15.00 A C +ATOM 91 CB ALA A 9 -13.169 -4.570 0.236 1.00 15.00 A C +ATOM 92 C ALA A 9 -12.089 -5.998 2.030 1.00 15.00 A C +ATOM 93 O ALA A 9 -11.851 -5.532 3.174 1.00 15.00 A O +ATOM 94 N ARG A 10 -12.508 -7.244 1.847 1.00 15.00 A N +ATOM 95 HN ARG A 10 -12.679 -7.545 0.930 1.00 15.00 A H +ATOM 96 CA ARG A 10 -12.727 -8.188 2.938 1.00 15.00 A C +ATOM 97 CB ARG A 10 -13.331 -9.483 2.379 1.00 15.00 A C +ATOM 98 CG ARG A 10 -14.756 -9.222 1.882 1.00 15.00 A C +ATOM 99 CD ARG A 10 -15.579 -10.464 1.782 1.00 15.00 A C +ATOM 100 NE ARG A 10 -14.822 -11.487 1.071 1.00 15.00 A N +ATOM 101 HE ARG A 10 -14.232 -12.085 1.575 1.00 15.00 A H +ATOM 102 CZ ARG A 10 -14.937 -11.604 -0.268 1.00 15.00 A C +ATOM 103 NH1 ARG A 10 -15.933 -10.961 -0.890 1.00 15.00 A N +ATOM 104 HH11 ARG A 10 -16.039 -11.040 -1.922 1.00 15.00 A H +ATOM 105 HH12 ARG A 10 -16.602 -10.384 -0.341 1.00 15.00 A H +ATOM 106 NH2 ARG A 10 -14.097 -12.359 -0.999 1.00 15.00 A N +ATOM 107 HH21 ARG A 10 -14.219 -12.424 -2.029 1.00 15.00 A H +ATOM 108 HH22 ARG A 10 -13.325 -12.877 -0.533 1.00 15.00 A H +ATOM 109 C ARG A 10 -11.454 -8.478 3.696 1.00 15.00 A C +ATOM 110 O ARG A 10 -11.513 -8.524 4.946 1.00 15.00 A O +ATOM 111 N ALA A 11 -10.330 -8.677 2.995 1.00 15.00 A N +ATOM 112 HN ALA A 11 -10.351 -8.626 2.016 1.00 15.00 A H +ATOM 113 CA ALA A 11 -9.049 -8.974 3.691 1.00 15.00 A C +ATOM 114 CB ALA A 11 -7.996 -9.502 2.702 1.00 15.00 A C +ATOM 115 C ALA A 11 -8.571 -7.757 4.494 1.00 15.00 A C +ATOM 116 O ALA A 11 -8.009 -7.938 5.600 1.00 15.00 A O +ATOM 117 N LEU A 12 -8.772 -6.541 4.000 1.00 15.00 A N +ATOM 118 HN LEU A 12 -9.216 -6.456 3.130 1.00 15.00 A H +ATOM 119 CA LEU A 12 -8.357 -5.316 4.704 1.00 15.00 A C +ATOM 120 CB LEU A 12 -8.364 -4.135 3.710 1.00 15.00 A C +ATOM 121 CG LEU A 12 -7.342 -4.220 2.582 1.00 15.00 A C +ATOM 122 CD1 LEU A 12 -7.347 -2.950 1.726 1.00 15.00 A C +ATOM 123 CD2 LEU A 12 -5.941 -4.452 3.161 1.00 15.00 A C +ATOM 124 C LEU A 12 -9.236 -5.134 5.947 1.00 15.00 A C +ATOM 125 O LEU A 12 -8.694 -4.809 7.015 1.00 15.00 A O +ATOM 126 N LYS A 13 -10.532 -5.299 5.739 1.00 15.00 A N +ATOM 127 HN LYS A 13 -10.864 -5.509 4.842 1.00 15.00 A H +ATOM 128 CA LYS A 13 -11.465 -5.167 6.861 1.00 15.00 A C +ATOM 129 CB LYS A 13 -12.874 -5.317 6.360 1.00 15.00 A C +ATOM 130 CG LYS A 13 -13.871 -5.455 7.482 1.00 15.00 A C +ATOM 131 CD LYS A 13 -14.137 -4.123 8.124 1.00 15.00 A C +ATOM 132 CE LYS A 13 -15.653 -3.959 8.270 1.00 15.00 A C +ATOM 133 NZ LYS A 13 -15.873 -2.795 9.157 1.00 15.00 A N +ATOM 134 HZ1 LYS A 13 -15.453 -1.941 8.736 1.00 15.00 A H +ATOM 135 HZ2 LYS A 13 -15.433 -2.963 10.084 1.00 15.00 A H +ATOM 136 HZ3 LYS A 13 -16.892 -2.637 9.292 1.00 15.00 A H +ATOM 137 C LYS A 13 -11.172 -6.197 7.949 1.00 15.00 A C +ATOM 138 O LYS A 13 -11.205 -5.816 9.131 1.00 15.00 A O +ATOM 139 N ALA A 14 -10.874 -7.432 7.649 1.00 15.00 A N +ATOM 140 HN ALA A 14 -10.874 -7.663 6.696 1.00 15.00 A H +ATOM 141 CA ALA A 14 -10.545 -8.494 8.572 1.00 15.00 A C +ATOM 142 CB ALA A 14 -10.372 -9.861 7.888 1.00 15.00 A C +ATOM 143 C ALA A 14 -9.259 -8.164 9.298 1.00 15.00 A C +ATOM 144 O ALA A 14 -9.134 -8.616 10.459 1.00 15.00 A O +ATOM 145 N SER A 15 -8.330 -7.436 8.710 1.00 15.00 A N +ATOM 146 HN SER A 15 -8.523 -7.120 7.802 1.00 15.00 A H +ATOM 147 CA SER A 15 -7.037 -7.054 9.282 1.00 15.00 A C +ATOM 148 CB SER A 15 -5.979 -6.897 8.151 1.00 15.00 A C +ATOM 149 OG SER A 15 -5.711 -8.267 7.838 1.00 15.00 A O +ATOM 150 HG SER A 15 -6.128 -8.832 8.492 1.00 15.00 A H +ATOM 151 C SER A 15 -6.974 -5.756 10.071 1.00 15.00 A C +ATOM 152 O SER A 15 -5.838 -5.338 10.382 1.00 15.00 A O +ATOM 153 N GLY A 16 -8.120 -5.158 10.290 1.00 15.00 A N +ATOM 154 HN GLY A 16 -8.930 -5.576 9.928 1.00 15.00 A H +ATOM 155 CA GLY A 16 -8.261 -3.921 11.035 1.00 15.00 A C +ATOM 156 C GLY A 16 -7.883 -2.641 10.310 1.00 15.00 A C +ATOM 157 O GLY A 16 -7.559 -1.671 11.043 1.00 15.00 A O +ATOM 158 N MET A 17 -7.907 -2.679 8.996 1.00 15.00 A N +ATOM 159 HN MET A 17 -8.173 -3.501 8.534 1.00 15.00 A H +ATOM 160 CA MET A 17 -7.530 -1.471 8.212 1.00 15.00 A C +ATOM 161 CB MET A 17 -7.087 -1.717 6.766 1.00 15.00 A C +ATOM 162 CG MET A 17 -5.800 -2.527 6.728 1.00 15.00 A C +ATOM 163 SD MET A 17 -4.457 -1.482 7.358 1.00 15.00 A S +ATOM 164 CE MET A 17 -3.694 -0.946 5.851 1.00 15.00 A C +ATOM 165 C MET A 17 -8.693 -0.487 8.209 1.00 15.00 A C +ATOM 166 O MET A 17 -8.385 0.711 8.015 1.00 15.00 A O +ATOM 167 N ASP A 18 -9.925 -0.897 8.381 1.00 15.00 A N +ATOM 168 HN ASP A 18 -10.101 -1.851 8.523 1.00 15.00 A H +ATOM 169 CA ASP A 18 -11.047 0.049 8.366 1.00 15.00 A C +ATOM 170 CB ASP A 18 -12.388 -0.683 8.289 1.00 15.00 A C +ATOM 171 CG ASP A 18 -13.481 0.309 7.913 1.00 15.00 A C +ATOM 172 OD1 ASP A 18 -13.312 1.477 7.523 1.00 15.00 A O +ATOM 173 OD2 ASP A 18 -14.666 -0.061 7.993 1.00 15.00 A O +ATOM 174 C ASP A 18 -11.008 0.996 9.574 1.00 15.00 A C +ATOM 175 O ASP A 18 -11.424 0.614 10.672 1.00 15.00 A O +ATOM 176 N GLY A 19 -10.547 2.210 9.346 1.00 15.00 A N +ATOM 177 HN GLY A 19 -10.271 2.408 8.426 1.00 15.00 A H +ATOM 178 CA GLY A 19 -10.408 3.280 10.324 1.00 15.00 A C +ATOM 179 C GLY A 19 -9.014 3.393 10.923 1.00 15.00 A C +ATOM 180 O GLY A 19 -8.801 4.227 11.843 1.00 15.00 A O +ATOM 181 N TYR A 20 -8.062 2.603 10.431 1.00 15.00 A N +ATOM 182 HN TYR A 20 -8.262 2.004 9.682 1.00 15.00 A H +ATOM 183 CA TYR A 20 -6.704 2.628 11.013 1.00 15.00 A C +ATOM 184 CB TYR A 20 -5.836 1.500 10.412 1.00 15.00 A C +ATOM 185 CG TYR A 20 -4.603 1.397 11.300 1.00 15.00 A C +ATOM 186 CD1 TYR A 20 -4.626 0.555 12.389 1.00 15.00 A C +ATOM 187 CD2 TYR A 20 -3.441 2.139 11.058 1.00 15.00 A C +ATOM 188 CE1 TYR A 20 -3.515 0.450 13.225 1.00 15.00 A C +ATOM 189 CE2 TYR A 20 -2.328 2.040 11.888 1.00 15.00 A C +ATOM 190 CZ TYR A 20 -2.370 1.182 12.983 1.00 15.00 A C +ATOM 191 OH TYR A 20 -1.295 1.088 13.826 1.00 15.00 A O +ATOM 192 HH TYR A 20 -0.969 1.968 14.030 1.00 15.00 A H +ATOM 193 C TYR A 20 -6.117 4.024 10.841 1.00 15.00 A C +ATOM 194 O TYR A 20 -6.010 4.569 9.723 1.00 15.00 A O +ATOM 195 N ALA A 21 -5.755 4.588 11.980 1.00 15.00 A N +ATOM 196 HN ALA A 21 -5.873 4.061 12.798 1.00 15.00 A H +ATOM 197 CA ALA A 21 -5.200 5.920 12.124 1.00 15.00 A C +ATOM 198 CB ALA A 21 -3.802 6.008 11.551 1.00 15.00 A C +ATOM 199 C ALA A 21 -6.162 6.898 11.435 1.00 15.00 A C +ATOM 200 O ALA A 21 -5.757 7.900 10.787 1.00 15.00 A O +ATOM 201 N GLY A 22 -7.448 6.573 11.565 1.00 15.00 A N +ATOM 202 HN GLY A 22 -7.688 5.764 12.064 1.00 15.00 A H +ATOM 203 CA GLY A 22 -8.506 7.402 10.976 1.00 15.00 A C +ATOM 204 C GLY A 22 -8.758 7.273 9.495 1.00 15.00 A C +ATOM 205 O GLY A 22 -9.473 8.159 8.978 1.00 15.00 A O +ATOM 206 N ASN A 23 -8.250 6.271 8.807 1.00 15.00 A N +ATOM 207 HN ASN A 23 -7.713 5.608 9.291 1.00 15.00 A H +ATOM 208 CA ASN A 23 -8.436 6.080 7.348 1.00 15.00 A C +ATOM 209 CB ASN A 23 -7.102 5.738 6.691 1.00 15.00 A C +ATOM 210 CG ASN A 23 -6.090 6.847 6.975 1.00 15.00 A C +ATOM 211 OD1 ASN A 23 -5.134 6.686 7.753 1.00 15.00 A O +ATOM 212 ND2 ASN A 23 -6.354 7.972 6.327 1.00 15.00 A N +ATOM 213 HD21 ASN A 23 -7.142 7.996 5.745 1.00 15.00 A H +ATOM 214 HD22 ASN A 23 -5.751 8.733 6.457 1.00 15.00 A H +ATOM 215 C ASN A 23 -9.484 5.009 7.109 1.00 15.00 A C +ATOM 216 O ASN A 23 -9.189 3.831 7.463 1.00 15.00 A O +ATOM 217 N SER A 24 -10.638 5.405 6.610 1.00 15.00 A N +ATOM 218 HN SER A 24 -10.789 6.349 6.396 1.00 15.00 A H +ATOM 219 CA SER A 24 -11.700 4.408 6.375 1.00 15.00 A C +ATOM 220 CB SER A 24 -13.015 5.100 6.098 1.00 15.00 A C +ATOM 221 OG SER A 24 -12.798 5.818 4.874 1.00 15.00 A O +ATOM 222 HG SER A 24 -13.641 6.123 4.528 1.00 15.00 A H +ATOM 223 C SER A 24 -11.279 3.497 5.229 1.00 15.00 A C +ATOM 224 O SER A 24 -10.457 3.857 4.406 1.00 15.00 A O +ATOM 225 N LEU A 25 -11.894 2.331 5.193 1.00 15.00 A N +ATOM 226 HN LEU A 25 -12.577 2.156 5.874 1.00 15.00 A H +ATOM 227 CA LEU A 25 -11.628 1.275 4.206 1.00 15.00 A C +ATOM 228 CB LEU A 25 -12.669 0.136 4.437 1.00 15.00 A C +ATOM 229 CG LEU A 25 -12.272 -1.133 3.674 1.00 15.00 A C +ATOM 230 CD1 LEU A 25 -11.146 -1.828 4.420 1.00 15.00 A C +ATOM 231 CD2 LEU A 25 -13.477 -2.033 3.571 1.00 15.00 A C +ATOM 232 C LEU A 25 -11.588 1.684 2.744 1.00 15.00 A C +ATOM 233 O LEU A 25 -10.620 1.221 2.086 1.00 15.00 A O +ATOM 234 N PRO A 26 -12.508 2.451 2.218 1.00 15.00 A N +ATOM 235 CA PRO A 26 -12.459 2.866 0.814 1.00 15.00 A C +ATOM 236 CB PRO A 26 -13.694 3.753 0.660 1.00 15.00 A C +ATOM 237 CG PRO A 26 -14.595 3.253 1.742 1.00 15.00 A C +ATOM 238 CD PRO A 26 -13.677 2.993 2.929 1.00 15.00 A C +ATOM 239 C PRO A 26 -11.145 3.541 0.435 1.00 15.00 A C +ATOM 240 O PRO A 26 -10.692 3.494 -0.729 1.00 15.00 A O +ATOM 241 N ASN A 27 -10.526 4.196 1.412 1.00 15.00 A N +ATOM 242 HN ASN A 27 -10.930 4.201 2.305 1.00 15.00 A H +ATOM 243 CA ASN A 27 -9.259 4.911 1.208 1.00 15.00 A C +ATOM 244 CB ASN A 27 -8.751 5.728 2.418 1.00 15.00 A C +ATOM 245 CG ASN A 27 -9.564 7.013 2.468 1.00 15.00 A C +ATOM 246 OD1 ASN A 27 -9.343 7.933 1.671 1.00 15.00 A O +ATOM 247 ND2 ASN A 27 -10.570 7.030 3.330 1.00 15.00 A N +ATOM 248 HD21 ASN A 27 -10.728 6.230 3.873 1.00 15.00 A H +ATOM 249 HD22 ASN A 27 -11.115 7.842 3.389 1.00 15.00 A H +ATOM 250 C ASN A 27 -8.193 3.908 0.794 1.00 15.00 A C +ATOM 251 O ASN A 27 -7.471 4.199 -0.171 1.00 15.00 A O +ATOM 252 N TRP A 28 -8.160 2.812 1.535 1.00 15.00 A N +ATOM 253 HN TRP A 28 -8.813 2.716 2.259 1.00 15.00 A H +ATOM 254 CA TRP A 28 -7.182 1.728 1.317 1.00 15.00 A C +ATOM 255 CB TRP A 28 -7.132 0.784 2.505 1.00 15.00 A C +ATOM 256 CG TRP A 28 -6.733 1.435 3.785 1.00 15.00 A C +ATOM 257 CD1 TRP A 28 -7.552 1.738 4.826 1.00 15.00 A C +ATOM 258 CD2 TRP A 28 -5.401 1.857 4.147 1.00 15.00 A C +ATOM 259 NE1 TRP A 28 -6.794 2.346 5.824 1.00 15.00 A N +ATOM 260 HE1 TRP A 28 -7.144 2.661 6.684 1.00 15.00 A H +ATOM 261 CE2 TRP A 28 -5.498 2.410 5.443 1.00 15.00 A C +ATOM 262 CE3 TRP A 28 -4.167 1.827 3.512 1.00 15.00 A C +ATOM 263 CZ2 TRP A 28 -4.398 2.909 6.134 1.00 15.00 A C +ATOM 264 CZ3 TRP A 28 -3.052 2.303 4.192 1.00 15.00 A C +ATOM 265 CH2 TRP A 28 -3.165 2.847 5.472 1.00 15.00 A C +ATOM 266 C TRP A 28 -7.480 0.969 0.032 1.00 15.00 A C +ATOM 267 O TRP A 28 -6.488 0.605 -0.632 1.00 15.00 A O +ATOM 268 N VAL A 29 -8.733 0.786 -0.316 1.00 15.00 A N +ATOM 269 HN VAL A 29 -9.456 1.100 0.265 1.00 15.00 A H +ATOM 270 CA VAL A 29 -9.049 0.095 -1.607 1.00 15.00 A C +ATOM 271 CB VAL A 29 -10.481 -0.456 -1.622 1.00 15.00 A C +ATOM 272 CG1 VAL A 29 -10.867 -1.114 -2.946 1.00 15.00 A C +ATOM 273 CG2 VAL A 29 -10.737 -1.418 -0.452 1.00 15.00 A C +ATOM 274 C VAL A 29 -8.724 1.045 -2.761 1.00 15.00 A C +ATOM 275 O VAL A 29 -8.113 0.566 -3.731 1.00 15.00 A O +ATOM 276 N CYS A 30 -9.041 2.321 -2.720 1.00 15.00 A N +ATOM 277 HN CYS A 30 -9.520 2.655 -1.933 1.00 15.00 A H +ATOM 278 CA CYS A 30 -8.710 3.281 -3.802 1.00 15.00 A C +ATOM 279 C CYS A 30 -7.220 3.351 -4.068 1.00 15.00 A C +ATOM 280 O CYS A 30 -6.777 3.295 -5.224 1.00 15.00 A O +ATOM 281 CB CYS A 30 -9.296 4.616 -3.388 1.00 15.00 A C +ATOM 282 SG CYS A 30 -8.992 5.885 -4.636 1.00 15.00 A S +ATOM 283 N LEU A 31 -6.418 3.485 -3.023 1.00 15.00 A N +ATOM 284 HN LEU A 31 -6.833 3.542 -2.137 1.00 15.00 A H +ATOM 285 CA LEU A 31 -4.940 3.555 -3.093 1.00 15.00 A C +ATOM 286 CB LEU A 31 -4.523 3.870 -1.668 1.00 15.00 A C +ATOM 287 CG LEU A 31 -3.536 3.326 -0.700 1.00 15.00 A C +ATOM 288 CD1 LEU A 31 -2.191 2.951 -1.268 1.00 15.00 A C +ATOM 289 CD2 LEU A 31 -3.283 4.447 0.361 1.00 15.00 A C +ATOM 290 C LEU A 31 -4.345 2.298 -3.718 1.00 15.00 A C +ATOM 291 O LEU A 31 -3.416 2.424 -4.529 1.00 15.00 A O +ATOM 292 N SER A 32 -4.825 1.127 -3.303 1.00 15.00 A N +ATOM 293 HN SER A 32 -5.535 1.119 -2.627 1.00 15.00 A H +ATOM 294 CA SER A 32 -4.327 -0.155 -3.822 1.00 15.00 A C +ATOM 295 CB SER A 32 -4.922 -1.337 -3.048 1.00 15.00 A C +ATOM 296 OG SER A 32 -4.524 -1.367 -1.703 1.00 15.00 A O +ATOM 297 HG SER A 32 -4.639 -0.496 -1.315 1.00 15.00 A H +ATOM 298 C SER A 32 -4.621 -0.241 -5.327 1.00 15.00 A C +ATOM 299 O SER A 32 -3.768 -0.678 -6.126 1.00 15.00 A O +ATOM 300 N LYS A 33 -5.826 0.157 -5.706 1.00 15.00 A N +ATOM 301 HN LYS A 33 -6.458 0.470 -5.025 1.00 15.00 A H +ATOM 302 CA LYS A 33 -6.244 0.146 -7.101 1.00 15.00 A C +ATOM 303 CB LYS A 33 -7.673 0.678 -7.255 1.00 15.00 A C +ATOM 304 CG LYS A 33 -8.185 0.242 -8.636 1.00 15.00 A C +ATOM 305 CD LYS A 33 -8.064 1.380 -9.597 1.00 15.00 A C +ATOM 306 CE LYS A 33 -8.957 1.115 -10.809 1.00 15.00 A C +ATOM 307 NZ LYS A 33 -8.506 2.063 -11.877 1.00 15.00 A N +ATOM 308 HZ1 LYS A 33 -7.507 1.890 -12.110 1.00 15.00 A H +ATOM 309 HZ2 LYS A 33 -8.609 3.045 -11.551 1.00 15.00 A H +ATOM 310 HZ3 LYS A 33 -9.079 1.933 -12.736 1.00 15.00 A H +ATOM 311 C LYS A 33 -5.315 0.963 -8.006 1.00 15.00 A C +ATOM 312 O LYS A 33 -4.889 0.425 -9.054 1.00 15.00 A O +ATOM 313 N TRP A 34 -4.990 2.212 -7.704 1.00 15.00 A N +ATOM 314 HN TRP A 34 -5.361 2.558 -6.865 1.00 15.00 A H +ATOM 315 CA TRP A 34 -4.157 3.131 -8.456 1.00 15.00 A C +ATOM 316 CB TRP A 34 -4.483 4.584 -8.063 1.00 15.00 A C +ATOM 317 CG TRP A 34 -5.931 4.825 -8.344 1.00 15.00 A C +ATOM 318 CD1 TRP A 34 -7.010 4.857 -7.509 1.00 15.00 A C +ATOM 319 CD2 TRP A 34 -6.447 5.103 -9.641 1.00 15.00 A C +ATOM 320 NE1 TRP A 34 -8.152 5.151 -8.194 1.00 15.00 A N +ATOM 321 HE1 TRP A 34 -9.047 5.230 -7.805 1.00 15.00 A H +ATOM 322 CE2 TRP A 34 -7.844 5.293 -9.506 1.00 15.00 A C +ATOM 323 CE3 TRP A 34 -5.831 5.224 -10.896 1.00 15.00 A C +ATOM 324 CZ2 TRP A 34 -8.640 5.603 -10.606 1.00 15.00 A C +ATOM 325 CZ3 TRP A 34 -6.640 5.508 -11.989 1.00 15.00 A C +ATOM 326 CH2 TRP A 34 -8.015 5.697 -11.845 1.00 15.00 A C +ATOM 327 C TRP A 34 -2.663 2.865 -8.286 1.00 15.00 A C +ATOM 328 O TRP A 34 -1.933 3.120 -9.255 1.00 15.00 A O +ATOM 329 N GLU A 35 -2.231 2.356 -7.138 1.00 15.00 A N +ATOM 330 HN GLU A 35 -2.859 2.193 -6.404 1.00 15.00 A H +ATOM 331 CA GLU A 35 -0.809 2.040 -6.977 1.00 15.00 A C +ATOM 332 CB GLU A 35 -0.410 1.874 -5.530 1.00 15.00 A C +ATOM 333 CG GLU A 35 -0.303 3.105 -4.672 1.00 15.00 A C +ATOM 334 CD GLU A 35 0.824 4.030 -5.050 1.00 15.00 A C +ATOM 335 OE1 GLU A 35 1.707 3.891 -5.871 1.00 15.00 A O +ATOM 336 OE2 GLU A 35 0.759 5.056 -4.342 1.00 15.00 A O +ATOM 337 C GLU A 35 -0.408 0.731 -7.637 1.00 15.00 A C +ATOM 338 O GLU A 35 0.689 0.648 -8.213 1.00 15.00 A O +ATOM 339 N SER A 36 -1.199 -0.320 -7.563 1.00 15.00 A N +ATOM 340 HN SER A 36 -2.069 -0.248 -7.118 1.00 15.00 A H +ATOM 341 CA SER A 36 -0.775 -1.606 -8.151 1.00 15.00 A C +ATOM 342 CB SER A 36 -0.355 -2.470 -6.940 1.00 15.00 A C +ATOM 343 OG SER A 36 -1.555 -2.648 -6.172 1.00 15.00 A O +ATOM 344 HG SER A 36 -2.314 -2.387 -6.697 1.00 15.00 A H +ATOM 345 C SER A 36 -1.763 -2.407 -8.948 1.00 15.00 A C +ATOM 346 O SER A 36 -1.377 -3.503 -9.377 1.00 15.00 A O +ATOM 347 N SER A 37 -2.987 -1.965 -9.091 1.00 15.00 A N +ATOM 348 HN SER A 37 -3.178 -1.074 -8.729 1.00 15.00 A H +ATOM 349 CA SER A 37 -4.090 -2.660 -9.730 1.00 15.00 A C +ATOM 350 CB SER A 37 -3.851 -2.996 -11.190 1.00 15.00 A C +ATOM 351 OG SER A 37 -3.506 -1.760 -11.798 1.00 15.00 A O +ATOM 352 HG SER A 37 -4.110 -1.579 -12.521 1.00 15.00 A H +ATOM 353 C SER A 37 -4.353 -3.974 -9.036 1.00 15.00 A C +ATOM 354 O SER A 37 -4.677 -5.005 -9.626 1.00 15.00 A O +ATOM 355 N TYR A 38 -4.195 -3.877 -7.723 1.00 15.00 A N +ATOM 356 HN TYR A 38 -3.900 -3.021 -7.347 1.00 15.00 A H +ATOM 357 CA TYR A 38 -4.443 -5.005 -6.800 1.00 15.00 A C +ATOM 358 CB TYR A 38 -5.892 -5.463 -7.025 1.00 15.00 A C +ATOM 359 CG TYR A 38 -6.970 -4.414 -6.919 1.00 15.00 A C +ATOM 360 CD1 TYR A 38 -7.059 -3.554 -5.823 1.00 15.00 A C +ATOM 361 CD2 TYR A 38 -7.919 -4.302 -7.954 1.00 15.00 A C +ATOM 362 CE1 TYR A 38 -8.070 -2.583 -5.715 1.00 15.00 A C +ATOM 363 CE2 TYR A 38 -8.941 -3.355 -7.859 1.00 15.00 A C +ATOM 364 CZ TYR A 38 -9.011 -2.528 -6.733 1.00 15.00 A C +ATOM 365 OH TYR A 38 -10.040 -1.626 -6.671 1.00 15.00 A O +ATOM 366 HH TYR A 38 -10.859 -2.055 -6.926 1.00 15.00 A H +ATOM 367 C TYR A 38 -3.522 -6.214 -6.915 1.00 15.00 A C +ATOM 368 O TYR A 38 -3.865 -7.328 -6.500 1.00 15.00 A O +ATOM 369 N ASN A 39 -2.337 -5.999 -7.462 1.00 15.00 A N +ATOM 370 HN ASN A 39 -2.127 -5.078 -7.724 1.00 15.00 A H +ATOM 371 CA ASN A 39 -1.317 -7.009 -7.712 1.00 15.00 A C +ATOM 372 CB ASN A 39 -0.714 -6.806 -9.133 1.00 15.00 A C +ATOM 373 CG ASN A 39 0.217 -7.937 -9.565 1.00 15.00 A C +ATOM 374 OD1 ASN A 39 0.388 -8.963 -8.862 1.00 15.00 A O +ATOM 375 ND2 ASN A 39 0.844 -7.808 -10.716 1.00 15.00 A N +ATOM 376 HD21 ASN A 39 0.685 -6.995 -11.241 1.00 15.00 A H +ATOM 377 HD22 ASN A 39 1.443 -8.529 -11.000 1.00 15.00 A H +ATOM 378 C ASN A 39 -0.243 -6.979 -6.638 1.00 15.00 A C +ATOM 379 O ASN A 39 0.593 -6.049 -6.642 1.00 15.00 A O +ATOM 380 N THR A 40 -0.261 -7.995 -5.771 1.00 15.00 A N +ATOM 381 HN THR A 40 -0.958 -8.682 -5.825 1.00 15.00 A H +ATOM 382 CA THR A 40 0.790 -8.070 -4.724 1.00 15.00 A C +ATOM 383 CB THR A 40 0.506 -9.257 -3.705 1.00 15.00 A C +ATOM 384 OG1 THR A 40 0.787 -10.523 -4.379 1.00 15.00 A O +ATOM 385 HG1 THR A 40 0.432 -11.248 -3.860 1.00 15.00 A H +ATOM 386 CG2 THR A 40 -0.917 -9.278 -3.170 1.00 15.00 A C +ATOM 387 C THR A 40 2.202 -8.149 -5.302 1.00 15.00 A C +ATOM 388 O THR A 40 3.164 -7.852 -4.556 1.00 15.00 A O +ATOM 389 N GLN A 41 2.447 -8.539 -6.538 1.00 15.00 A N +ATOM 390 HN GLN A 41 1.673 -8.741 -7.103 1.00 15.00 A H +ATOM 391 CA GLN A 41 3.773 -8.699 -7.145 1.00 15.00 A C +ATOM 392 CB GLN A 41 3.798 -9.949 -8.081 1.00 15.00 A C +ATOM 393 CG GLN A 41 3.418 -11.214 -7.295 1.00 15.00 A C +ATOM 394 CD GLN A 41 3.795 -12.467 -8.092 1.00 15.00 A C +ATOM 395 OE1 GLN A 41 2.934 -13.090 -8.747 1.00 15.00 A O +ATOM 396 NE2 GLN A 41 5.091 -12.742 -7.998 1.00 15.00 A N +ATOM 397 HE21 GLN A 41 5.652 -12.149 -7.455 1.00 15.00 A H +ATOM 398 HE22 GLN A 41 5.434 -13.528 -8.473 1.00 15.00 A H +ATOM 399 C GLN A 41 4.245 -7.460 -7.890 1.00 15.00 A C +ATOM 400 O GLN A 41 5.327 -7.523 -8.513 1.00 15.00 A O +ATOM 401 N ALA A 42 3.436 -6.404 -7.848 1.00 15.00 A N +ATOM 402 HN ALA A 42 2.585 -6.426 -7.362 1.00 15.00 A H +ATOM 403 CA ALA A 42 3.883 -5.200 -8.566 1.00 15.00 A C +ATOM 404 CB ALA A 42 2.784 -4.138 -8.533 1.00 15.00 A C +ATOM 405 C ALA A 42 5.170 -4.620 -7.995 1.00 15.00 A C +ATOM 406 O ALA A 42 5.399 -4.423 -6.798 1.00 15.00 A O +ATOM 407 N THR A 43 6.062 -4.263 -8.910 1.00 15.00 A N +ATOM 408 HN THR A 43 5.844 -4.467 -9.844 1.00 15.00 A H +ATOM 409 CA THR A 43 7.347 -3.589 -8.660 1.00 15.00 A C +ATOM 410 CB THR A 43 8.634 -4.485 -8.672 1.00 15.00 A C +ATOM 411 OG1 THR A 43 8.824 -5.005 -10.019 1.00 15.00 A O +ATOM 412 HG1 THR A 43 9.079 -5.929 -9.974 1.00 15.00 A H +ATOM 413 CG2 THR A 43 8.544 -5.599 -7.599 1.00 15.00 A C +ATOM 414 C THR A 43 7.487 -2.424 -9.665 1.00 15.00 A C +ATOM 415 O THR A 43 7.078 -2.428 -10.841 1.00 15.00 A O +ATOM 416 N ASN A 44 8.082 -1.362 -9.148 1.00 15.00 A N +ATOM 417 HN ASN A 44 8.392 -1.404 -8.219 1.00 15.00 A H +ATOM 418 CA ASN A 44 8.298 -0.114 -9.908 1.00 15.00 A C +ATOM 419 CB ASN A 44 7.078 0.793 -9.698 1.00 15.00 A C +ATOM 420 CG ASN A 44 7.190 2.005 -10.612 1.00 15.00 A C +ATOM 421 OD1 ASN A 44 6.955 1.745 -11.814 1.00 15.00 A O +ATOM 422 ND2 ASN A 44 7.565 3.183 -10.098 1.00 15.00 A N +ATOM 423 HD21 ASN A 44 7.758 3.229 -9.139 1.00 15.00 A H +ATOM 424 HD22 ASN A 44 7.632 3.952 -10.703 1.00 15.00 A H +ATOM 425 C ASN A 44 9.598 0.531 -9.481 1.00 15.00 A C +ATOM 426 O ASN A 44 9.696 1.032 -8.351 1.00 15.00 A O +ATOM 427 N ARG A 45 10.578 0.526 -10.331 1.00 15.00 A N +ATOM 428 HN ARG A 45 10.457 0.137 -11.222 1.00 15.00 A H +ATOM 429 CA ARG A 45 11.890 1.117 -9.940 1.00 15.00 A C +ATOM 430 CB ARG A 45 12.924 0.262 -10.666 1.00 15.00 A C +ATOM 431 CG ARG A 45 14.323 0.825 -10.742 1.00 15.00 A C +ATOM 432 CD ARG A 45 15.159 0.539 -9.548 1.00 15.00 A C +ATOM 433 NE ARG A 45 16.541 0.288 -9.974 1.00 15.00 A N +ATOM 434 HE ARG A 45 17.219 0.980 -9.825 1.00 15.00 A H +ATOM 435 CZ ARG A 45 16.877 -0.880 -10.562 1.00 15.00 A C +ATOM 436 NH1 ARG A 45 16.004 -1.596 -11.288 1.00 15.00 A N +ATOM 437 HH11 ARG A 45 15.030 -1.255 -11.414 1.00 15.00 A H +ATOM 438 HH12 ARG A 45 16.302 -2.492 -11.725 1.00 15.00 A H +ATOM 439 NH2 ARG A 45 18.138 -1.294 -10.332 1.00 15.00 A N +ATOM 440 HH21 ARG A 45 18.773 -0.722 -9.739 1.00 15.00 A H +ATOM 441 HH22 ARG A 45 18.476 -2.184 -10.749 1.00 15.00 A H +ATOM 442 C ARG A 45 11.885 2.608 -10.193 1.00 15.00 A C +ATOM 443 O ARG A 45 11.329 3.134 -11.191 1.00 15.00 A O +ATOM 444 N ASN A 46 12.502 3.342 -9.271 1.00 15.00 A N +ATOM 445 HN ASN A 46 12.931 2.900 -8.511 1.00 15.00 A H +ATOM 446 CA ASN A 46 12.553 4.819 -9.381 1.00 15.00 A C +ATOM 447 CB ASN A 46 12.139 5.480 -8.063 1.00 15.00 A C +ATOM 448 CG ASN A 46 10.703 5.110 -7.703 1.00 15.00 A C +ATOM 449 OD1 ASN A 46 10.552 4.435 -6.663 1.00 15.00 A O +ATOM 450 ND2 ASN A 46 9.706 5.466 -8.495 1.00 15.00 A N +ATOM 451 HD21 ASN A 46 9.918 5.968 -9.308 1.00 15.00 A H +ATOM 452 HD22 ASN A 46 8.796 5.213 -8.235 1.00 15.00 A H +ATOM 453 C ASN A 46 13.922 5.350 -9.793 1.00 15.00 A C +ATOM 454 O ASN A 46 14.960 4.691 -9.631 1.00 15.00 A O +ATOM 455 N THR A 47 13.810 6.582 -10.258 1.00 15.00 A N +ATOM 456 HN THR A 47 12.921 6.995 -10.273 1.00 15.00 A H +ATOM 457 CA THR A 47 14.951 7.361 -10.751 1.00 15.00 A C +ATOM 458 CB THR A 47 14.544 8.826 -11.195 1.00 15.00 A C +ATOM 459 OG1 THR A 47 14.377 9.517 -9.902 1.00 15.00 A O +ATOM 460 HG1 THR A 47 15.131 10.090 -9.744 1.00 15.00 A H +ATOM 461 CG2 THR A 47 13.316 8.916 -12.098 1.00 15.00 A C +ATOM 462 C THR A 47 16.072 7.495 -9.740 1.00 15.00 A C +ATOM 463 O THR A 47 17.242 7.605 -10.089 1.00 15.00 A O +ATOM 464 N ASP A 48 15.692 7.465 -8.492 1.00 15.00 A N +ATOM 465 HN ASP A 48 14.736 7.355 -8.308 1.00 15.00 A H +ATOM 466 CA ASP A 48 16.606 7.587 -7.341 1.00 15.00 A C +ATOM 467 CB ASP A 48 15.749 8.313 -6.282 1.00 15.00 A C +ATOM 468 CG ASP A 48 14.780 7.376 -5.569 1.00 15.00 A C +ATOM 469 OD1 ASP A 48 14.436 6.282 -6.035 1.00 15.00 A O +ATOM 470 OD2 ASP A 48 14.414 7.836 -4.460 1.00 15.00 A O +ATOM 471 C ASP A 48 17.230 6.286 -6.833 1.00 15.00 A C +ATOM 472 O ASP A 48 17.929 6.296 -5.777 1.00 15.00 A O +ATOM 473 N GLY A 49 16.952 5.167 -7.514 1.00 15.00 A N +ATOM 474 HN GLY A 49 16.361 5.199 -8.295 1.00 15.00 A H +ATOM 475 CA GLY A 49 17.547 3.894 -7.074 1.00 15.00 A C +ATOM 476 C GLY A 49 16.636 3.090 -6.165 1.00 15.00 A C +ATOM 477 O GLY A 49 16.966 1.914 -5.889 1.00 15.00 A O +ATOM 478 N SER A 50 15.561 3.739 -5.757 1.00 15.00 A N +ATOM 479 HN SER A 50 15.414 4.672 -6.019 1.00 15.00 A H +ATOM 480 CA SER A 50 14.584 3.041 -4.900 1.00 15.00 A C +ATOM 481 CB SER A 50 13.857 3.959 -3.946 1.00 15.00 A C +ATOM 482 OG SER A 50 12.906 4.738 -4.669 1.00 15.00 A O +ATOM 483 HG SER A 50 12.605 5.466 -4.121 1.00 15.00 A H +ATOM 484 C SER A 50 13.574 2.293 -5.791 1.00 15.00 A C +ATOM 485 O SER A 50 13.451 2.540 -7.002 1.00 15.00 A O +ATOM 486 N THR A 51 12.888 1.355 -5.133 1.00 15.00 A N +ATOM 487 HN THR A 51 13.068 1.194 -4.183 1.00 15.00 A H +ATOM 488 CA THR A 51 11.865 0.562 -5.825 1.00 15.00 A C +ATOM 489 CB THR A 51 12.283 -0.910 -6.200 1.00 15.00 A C +ATOM 490 OG1 THR A 51 13.545 -0.838 -6.941 1.00 15.00 A O +ATOM 491 HG1 THR A 51 14.215 -1.351 -6.482 1.00 15.00 A H +ATOM 492 CG2 THR A 51 11.248 -1.712 -7.034 1.00 15.00 A C +ATOM 493 C THR A 51 10.615 0.565 -4.946 1.00 15.00 A C +ATOM 494 O THR A 51 10.814 0.562 -3.710 1.00 15.00 A O +ATOM 495 N ASP A 52 9.459 0.513 -5.564 1.00 15.00 A N +ATOM 496 HN ASP A 52 9.475 0.539 -6.544 1.00 15.00 A H +ATOM 497 CA ASP A 52 8.142 0.420 -4.919 1.00 15.00 A C +ATOM 498 CB ASP A 52 7.089 1.352 -5.512 1.00 15.00 A C +ATOM 499 CG ASP A 52 7.578 2.791 -5.383 1.00 15.00 A C +ATOM 500 OD1 ASP A 52 8.240 3.249 -4.449 1.00 15.00 A O +ATOM 501 OD2 ASP A 52 7.275 3.534 -6.297 1.00 15.00 A O +ATOM 502 C ASP A 52 7.705 -1.063 -4.983 1.00 15.00 A C +ATOM 503 O ASP A 52 7.798 -1.679 -6.061 1.00 15.00 A O +ATOM 504 N TYR A 53 7.259 -1.589 -3.834 1.00 15.00 A N +ATOM 505 HN TYR A 53 7.163 -1.000 -3.057 1.00 15.00 A H +ATOM 506 CA TYR A 53 6.911 -2.996 -3.686 1.00 15.00 A C +ATOM 507 CB TYR A 53 7.923 -3.611 -2.667 1.00 15.00 A C +ATOM 508 CG TYR A 53 9.347 -3.670 -3.180 1.00 15.00 A C +ATOM 509 CD1 TYR A 53 9.722 -4.795 -3.945 1.00 15.00 A C +ATOM 510 CD2 TYR A 53 10.294 -2.684 -2.916 1.00 15.00 A C +ATOM 511 CE1 TYR A 53 11.016 -4.954 -4.446 1.00 15.00 A C +ATOM 512 CE2 TYR A 53 11.585 -2.816 -3.433 1.00 15.00 A C +ATOM 513 CZ TYR A 53 11.943 -3.930 -4.193 1.00 15.00 A C +ATOM 514 OH TYR A 53 13.220 -4.030 -4.681 1.00 15.00 A O +ATOM 515 HH TYR A 53 13.845 -3.799 -3.991 1.00 15.00 A H +ATOM 516 C TYR A 53 5.503 -3.308 -3.219 1.00 15.00 A C +ATOM 517 O TYR A 53 5.012 -2.752 -2.213 1.00 15.00 A O +ATOM 518 N GLY A 54 4.898 -4.238 -3.949 1.00 15.00 A N +ATOM 519 HN GLY A 54 5.353 -4.587 -4.744 1.00 15.00 A H +ATOM 520 CA GLY A 54 3.581 -4.749 -3.599 1.00 15.00 A C +ATOM 521 C GLY A 54 2.346 -3.969 -3.921 1.00 15.00 A C +ATOM 522 O GLY A 54 2.283 -2.989 -4.701 1.00 15.00 A O +ATOM 523 N ILE A 55 1.281 -4.442 -3.313 1.00 15.00 A N +ATOM 524 HN ILE A 55 1.405 -5.208 -2.714 1.00 15.00 A H +ATOM 525 CA ILE A 55 -0.083 -3.911 -3.462 1.00 15.00 A C +ATOM 526 CB ILE A 55 -1.063 -4.888 -2.713 1.00 15.00 A C +ATOM 527 CG1 ILE A 55 -2.353 -4.795 -3.551 1.00 15.00 A C +ATOM 528 CG2 ILE A 55 -1.270 -4.602 -1.210 1.00 15.00 A C +ATOM 529 CD1 ILE A 55 -3.453 -5.838 -3.219 1.00 15.00 A C +ATOM 530 C ILE A 55 -0.190 -2.432 -3.060 1.00 15.00 A C +ATOM 531 O ILE A 55 -0.971 -1.692 -3.683 1.00 15.00 A O +ATOM 532 N PHE A 56 0.569 -1.997 -2.071 1.00 15.00 A N +ATOM 533 HN PHE A 56 1.171 -2.646 -1.648 1.00 15.00 A H +ATOM 534 CA PHE A 56 0.590 -0.638 -1.555 1.00 15.00 A C +ATOM 535 CB PHE A 56 0.616 -0.602 -0.027 1.00 15.00 A C +ATOM 536 CG PHE A 56 -0.487 -1.363 0.671 1.00 15.00 A C +ATOM 537 CD1 PHE A 56 -1.812 -1.022 0.397 1.00 15.00 A C +ATOM 538 CD2 PHE A 56 -0.198 -2.393 1.559 1.00 15.00 A C +ATOM 539 CE1 PHE A 56 -2.856 -1.686 1.009 1.00 15.00 A C +ATOM 540 CE2 PHE A 56 -1.218 -3.081 2.195 1.00 15.00 A C +ATOM 541 CZ PHE A 56 -2.525 -2.707 1.913 1.00 15.00 A C +ATOM 542 C PHE A 56 1.804 0.131 -2.070 1.00 15.00 A C +ATOM 543 O PHE A 56 2.010 1.280 -1.656 1.00 15.00 A O +ATOM 544 N GLN A 57 2.585 -0.479 -2.939 1.00 15.00 A N +ATOM 545 HN GLN A 57 2.346 -1.389 -3.214 1.00 15.00 A H +ATOM 546 CA GLN A 57 3.788 0.124 -3.519 1.00 15.00 A C +ATOM 547 CB GLN A 57 3.451 1.091 -4.701 1.00 15.00 A C +ATOM 548 CG GLN A 57 2.862 0.348 -5.915 1.00 15.00 A C +ATOM 549 CD GLN A 57 4.013 -0.332 -6.643 1.00 15.00 A C +ATOM 550 OE1 GLN A 57 4.660 0.362 -7.427 1.00 15.00 A O +ATOM 551 NE2 GLN A 57 4.217 -1.616 -6.283 1.00 15.00 A N +ATOM 552 HE21 GLN A 57 3.629 -2.006 -5.602 1.00 15.00 A H +ATOM 553 HE22 GLN A 57 4.945 -2.109 -6.717 1.00 15.00 A H +ATOM 554 C GLN A 57 4.601 0.826 -2.449 1.00 15.00 A C +ATOM 555 O GLN A 57 4.865 2.028 -2.539 1.00 15.00 A O +ATOM 556 N ILE A 58 5.078 0.165 -1.445 1.00 15.00 A N +ATOM 557 HN ILE A 58 4.845 -0.786 -1.396 1.00 15.00 A H +ATOM 558 CA ILE A 58 5.935 0.691 -0.365 1.00 15.00 A C +ATOM 559 CB ILE A 58 5.770 -0.174 0.930 1.00 15.00 A C +ATOM 560 CG1 ILE A 58 4.321 0.004 1.480 1.00 15.00 A C +ATOM 561 CG2 ILE A 58 6.902 0.149 1.938 1.00 15.00 A C +ATOM 562 CD1 ILE A 58 3.964 -1.039 2.606 1.00 15.00 A C +ATOM 563 C ILE A 58 7.369 0.811 -0.878 1.00 15.00 A C +ATOM 564 O ILE A 58 7.991 -0.062 -1.495 1.00 15.00 A O +ATOM 565 N ASN A 59 7.966 1.978 -0.636 1.00 15.00 A N +ATOM 566 HN ASN A 59 7.494 2.625 -0.072 1.00 15.00 A H +ATOM 567 CA ASN A 59 9.299 2.360 -1.164 1.00 15.00 A C +ATOM 568 CB ASN A 59 9.278 3.895 -1.350 1.00 15.00 A C +ATOM 569 CG ASN A 59 10.563 4.401 -1.985 1.00 15.00 A C +ATOM 570 OD1 ASN A 59 11.501 4.852 -1.277 1.00 15.00 A O +ATOM 571 ND2 ASN A 59 10.555 4.254 -3.311 1.00 15.00 A N +ATOM 572 HD21 ASN A 59 9.763 3.855 -3.729 1.00 15.00 A H +ATOM 573 HD22 ASN A 59 11.343 4.551 -3.814 1.00 15.00 A H +ATOM 574 C ASN A 59 10.471 1.903 -0.347 1.00 15.00 A C +ATOM 575 O ASN A 59 10.475 1.975 0.905 1.00 15.00 A O +ATOM 576 N SER A 60 11.475 1.418 -1.070 1.00 15.00 A N +ATOM 577 HN SER A 60 11.399 1.433 -2.047 1.00 15.00 A H +ATOM 578 CA SER A 60 12.704 0.855 -0.467 1.00 15.00 A C +ATOM 579 CB SER A 60 13.492 0.012 -1.472 1.00 15.00 A C +ATOM 580 OG SER A 60 13.872 0.769 -2.606 1.00 15.00 A O +ATOM 581 HG SER A 60 13.774 0.234 -3.397 1.00 15.00 A H +ATOM 582 C SER A 60 13.667 1.883 0.120 1.00 15.00 A C +ATOM 583 O SER A 60 14.631 1.407 0.782 1.00 15.00 A O +ATOM 584 N ARG A 61 13.445 3.175 -0.072 1.00 15.00 A N +ATOM 585 HN ARG A 61 12.695 3.493 -0.617 1.00 15.00 A H +ATOM 586 CA ARG A 61 14.381 4.108 0.578 1.00 15.00 A C +ATOM 587 CB ARG A 61 14.340 5.490 -0.082 1.00 15.00 A C +ATOM 588 CG ARG A 61 15.555 6.204 0.568 1.00 15.00 A C +ATOM 589 CD ARG A 61 15.952 7.244 -0.407 1.00 15.00 A C +ATOM 590 NE ARG A 61 15.285 8.477 0.035 1.00 15.00 A N +ATOM 591 HE ARG A 61 14.315 8.584 -0.047 1.00 15.00 A H +ATOM 592 CZ ARG A 61 16.072 9.443 0.555 1.00 15.00 A C +ATOM 593 NH1 ARG A 61 17.018 9.151 1.452 1.00 15.00 A N +ATOM 594 HH11 ARG A 61 17.615 9.907 1.843 1.00 15.00 A H +ATOM 595 HH12 ARG A 61 17.156 8.167 1.761 1.00 15.00 A H +ATOM 596 NH2 ARG A 61 15.874 10.683 0.081 1.00 15.00 A N +ATOM 597 HH21 ARG A 61 15.148 10.852 -0.645 1.00 15.00 A H +ATOM 598 HH22 ARG A 61 16.447 11.474 0.438 1.00 15.00 A H +ATOM 599 C ARG A 61 14.116 4.226 2.085 1.00 15.00 A C +ATOM 600 O ARG A 61 15.080 4.419 2.865 1.00 15.00 A O +ATOM 601 N TYR A 62 12.833 4.114 2.506 1.00 15.00 A N +ATOM 602 HN TYR A 62 12.095 3.955 1.881 1.00 15.00 A H +ATOM 603 CA TYR A 62 12.611 4.244 3.948 1.00 15.00 A C +ATOM 604 CB TYR A 62 11.586 5.371 4.256 1.00 15.00 A C +ATOM 605 CG TYR A 62 11.853 6.595 3.412 1.00 15.00 A C +ATOM 606 CD1 TYR A 62 12.724 7.617 3.817 1.00 15.00 A C +ATOM 607 CD2 TYR A 62 11.238 6.716 2.154 1.00 15.00 A C +ATOM 608 CE1 TYR A 62 12.958 8.729 2.988 1.00 15.00 A C +ATOM 609 CE2 TYR A 62 11.473 7.820 1.325 1.00 15.00 A C +ATOM 610 CZ TYR A 62 12.332 8.836 1.753 1.00 15.00 A C +ATOM 611 OH TYR A 62 12.587 9.950 0.985 1.00 15.00 A O +ATOM 612 HH TYR A 62 13.530 10.132 0.987 1.00 15.00 A H +ATOM 613 C TYR A 62 12.045 3.058 4.677 1.00 15.00 A C +ATOM 614 O TYR A 62 12.324 3.007 5.885 1.00 15.00 A O +ATOM 615 N TRP A 63 11.272 2.224 4.006 1.00 15.00 A N +ATOM 616 HN TRP A 63 11.151 2.315 3.038 1.00 15.00 A H +ATOM 617 CA TRP A 63 10.605 1.165 4.749 1.00 15.00 A C +ATOM 618 CB TRP A 63 9.122 1.198 4.213 1.00 15.00 A C +ATOM 619 CG TRP A 63 8.599 2.600 4.281 1.00 15.00 A C +ATOM 620 CD1 TRP A 63 8.371 3.448 3.239 1.00 15.00 A C +ATOM 621 CD2 TRP A 63 8.220 3.326 5.468 1.00 15.00 A C +ATOM 622 NE1 TRP A 63 7.881 4.665 3.667 1.00 15.00 A N +ATOM 623 HE1 TRP A 63 7.649 5.431 3.101 1.00 15.00 A H +ATOM 624 CE2 TRP A 63 7.793 4.603 5.036 1.00 15.00 A C +ATOM 625 CE3 TRP A 63 8.236 2.979 6.834 1.00 15.00 A C +ATOM 626 CZ2 TRP A 63 7.373 5.602 5.916 1.00 15.00 A C +ATOM 627 CZ3 TRP A 63 7.808 3.973 7.710 1.00 15.00 A C +ATOM 628 CH2 TRP A 63 7.364 5.220 7.271 1.00 15.00 A C +ATOM 629 C TRP A 63 11.085 -0.259 4.681 1.00 15.00 A C +ATOM 630 O TRP A 63 10.750 -0.936 5.691 1.00 15.00 A O +ATOM 631 N CYS A 64 11.708 -0.737 3.621 1.00 15.00 A N +ATOM 632 HN CYS A 64 11.924 -0.152 2.866 1.00 15.00 A H +ATOM 633 CA CYS A 64 12.078 -2.177 3.591 1.00 15.00 A C +ATOM 634 C CYS A 64 13.477 -2.310 3.022 1.00 15.00 A C +ATOM 635 O CYS A 64 13.899 -1.349 2.330 1.00 15.00 A O +ATOM 636 CB CYS A 64 11.050 -2.976 2.786 1.00 15.00 A C +ATOM 637 SG CYS A 64 10.812 -2.411 1.066 1.00 15.00 A S +ATOM 638 N ASP A 65 14.131 -3.361 3.198 1.00 15.00 A N +ATOM 639 HN ASP A 65 13.721 -4.095 3.701 1.00 15.00 A H +ATOM 640 CA ASP A 65 15.490 -3.535 2.678 1.00 15.00 A C +ATOM 641 CB ASP A 65 16.336 -4.251 3.722 1.00 15.00 A C +ATOM 642 CG ASP A 65 17.699 -4.641 3.182 1.00 15.00 A C +ATOM 643 OD1 ASP A 65 18.345 -3.817 2.432 1.00 15.00 A O +ATOM 644 OD2 ASP A 65 18.200 -5.787 3.472 1.00 15.00 A O +ATOM 645 C ASP A 65 15.481 -4.384 1.399 1.00 15.00 A C +ATOM 646 O ASP A 65 15.068 -5.543 1.408 1.00 15.00 A O +ATOM 647 N ASP A 66 15.951 -3.781 0.256 1.00 15.00 A N +ATOM 648 HN ASP A 66 16.246 -2.846 0.256 1.00 15.00 A H +ATOM 649 CA ASP A 66 15.992 -4.611 -0.988 1.00 15.00 A C +ATOM 650 CB ASP A 66 15.181 -3.999 -2.110 1.00 15.00 A C +ATOM 651 CG ASP A 66 15.720 -2.712 -2.707 1.00 15.00 A C +ATOM 652 OD1 ASP A 66 16.728 -2.184 -2.213 1.00 15.00 A O +ATOM 653 OD2 ASP A 66 15.090 -2.238 -3.687 1.00 15.00 A O +ATOM 654 C ASP A 66 17.452 -4.879 -1.402 1.00 15.00 A C +ATOM 655 O ASP A 66 17.726 -5.490 -2.443 1.00 15.00 A O +ATOM 656 N GLY A 67 18.380 -4.382 -0.598 1.00 15.00 A N +ATOM 657 HN GLY A 67 18.058 -3.869 0.173 1.00 15.00 A H +ATOM 658 CA GLY A 67 19.801 -4.516 -0.740 1.00 15.00 A C +ATOM 659 C GLY A 67 20.457 -3.810 -1.886 1.00 15.00 A C +ATOM 660 O GLY A 67 21.662 -4.043 -2.136 1.00 15.00 A O +ATOM 661 N ARG A 68 19.750 -2.953 -2.581 1.00 15.00 A N +ATOM 662 HN ARG A 68 18.818 -2.790 -2.325 1.00 15.00 A H +ATOM 663 CA ARG A 68 20.315 -2.223 -3.740 1.00 15.00 A C +ATOM 664 CB ARG A 68 19.893 -2.906 -5.048 1.00 15.00 A C +ATOM 665 CG ARG A 68 18.411 -2.745 -5.347 1.00 15.00 A C +ATOM 666 CD ARG A 68 18.293 -2.896 -6.836 1.00 15.00 A C +ATOM 667 NE ARG A 68 16.938 -2.604 -7.278 1.00 15.00 A N +ATOM 668 HE ARG A 68 16.441 -1.946 -6.749 1.00 15.00 A H +ATOM 669 CZ ARG A 68 16.310 -3.147 -8.333 1.00 15.00 A C +ATOM 670 NH1 ARG A 68 16.946 -4.046 -9.094 1.00 15.00 A N +ATOM 671 HH11 ARG A 68 16.464 -4.469 -9.912 1.00 15.00 A H +ATOM 672 HH12 ARG A 68 17.923 -4.321 -8.866 1.00 15.00 A H +ATOM 673 NH2 ARG A 68 15.061 -2.838 -8.726 1.00 15.00 A N +ATOM 674 HH21 ARG A 68 14.510 -2.132 -8.197 1.00 15.00 A H +ATOM 675 HH22 ARG A 68 14.646 -3.307 -9.557 1.00 15.00 A H +ATOM 676 C ARG A 68 19.919 -0.754 -3.794 1.00 15.00 A C +ATOM 677 O ARG A 68 20.053 -0.069 -4.835 1.00 15.00 A O +ATOM 678 N THR A 69 19.395 -0.306 -2.650 1.00 15.00 A N +ATOM 679 HN THR A 69 19.310 -0.919 -1.891 1.00 15.00 A H +ATOM 680 CA THR A 69 18.946 1.071 -2.503 1.00 15.00 A C +ATOM 681 CB THR A 69 17.491 1.280 -1.937 1.00 15.00 A C +ATOM 682 OG1 THR A 69 16.677 0.344 -2.676 1.00 15.00 A O +ATOM 683 HG1 THR A 69 15.825 0.249 -2.243 1.00 15.00 A H +ATOM 684 CG2 THR A 69 17.026 2.746 -2.059 1.00 15.00 A C +ATOM 685 C THR A 69 19.934 1.822 -1.594 1.00 15.00 A C +ATOM 686 O THR A 69 20.186 1.440 -0.438 1.00 15.00 A O +ATOM 687 N PRO A 70 20.426 2.902 -2.166 1.00 15.00 A N +ATOM 688 CA PRO A 70 21.331 3.805 -1.454 1.00 15.00 A C +ATOM 689 CB PRO A 70 22.005 4.563 -2.592 1.00 15.00 A C +ATOM 690 CG PRO A 70 21.079 4.515 -3.769 1.00 15.00 A C +ATOM 691 CD PRO A 70 20.120 3.363 -3.533 1.00 15.00 A C +ATOM 692 C PRO A 70 20.604 4.666 -0.422 1.00 15.00 A C +ATOM 693 O PRO A 70 19.524 5.267 -0.643 1.00 15.00 A O +ATOM 694 N GLY A 71 21.194 4.728 0.765 1.00 15.00 A N +ATOM 695 HN GLY A 71 22.023 4.214 0.865 1.00 15.00 A H +ATOM 696 CA GLY A 71 20.741 5.480 1.939 1.00 15.00 A C +ATOM 697 C GLY A 71 19.385 4.972 2.403 1.00 15.00 A C +ATOM 698 O GLY A 71 18.471 5.782 2.583 1.00 15.00 A O +ATOM 699 N ALA A 72 19.317 3.658 2.576 1.00 15.00 A N +ATOM 700 HN ALA A 72 20.115 3.100 2.471 1.00 15.00 A H +ATOM 701 CA ALA A 72 18.025 3.056 2.927 1.00 15.00 A C +ATOM 702 CB ALA A 72 17.828 1.728 2.212 1.00 15.00 A C +ATOM 703 C ALA A 72 17.956 2.894 4.434 1.00 15.00 A C +ATOM 704 O ALA A 72 18.991 2.553 5.040 1.00 15.00 A O +ATOM 705 N LYS A 73 16.724 3.084 4.922 1.00 15.00 A N +ATOM 706 HN LYS A 73 15.973 3.287 4.325 1.00 15.00 A H +ATOM 707 CA LYS A 73 16.523 2.980 6.384 1.00 15.00 A C +ATOM 708 CB LYS A 73 15.888 4.294 6.924 1.00 15.00 A C +ATOM 709 CG LYS A 73 16.992 5.380 6.949 1.00 15.00 A C +ATOM 710 CD LYS A 73 16.604 6.712 6.348 1.00 15.00 A C +ATOM 711 CE LYS A 73 15.913 6.616 5.003 1.00 15.00 A C +ATOM 712 NZ LYS A 73 16.835 6.728 3.844 1.00 15.00 A N +ATOM 713 HZ1 LYS A 73 16.322 6.545 2.959 1.00 15.00 A H +ATOM 714 HZ2 LYS A 73 17.605 6.036 3.935 1.00 15.00 A H +ATOM 715 HZ3 LYS A 73 17.246 7.683 3.805 1.00 15.00 A H +ATOM 716 C LYS A 73 15.702 1.795 6.867 1.00 15.00 A C +ATOM 717 O LYS A 73 15.819 1.585 8.110 1.00 15.00 A O +ATOM 718 N ASN A 74 14.970 1.064 6.063 1.00 15.00 A N +ATOM 719 HN ASN A 74 14.900 1.289 5.112 1.00 15.00 A H +ATOM 720 CA ASN A 74 14.241 -0.120 6.622 1.00 15.00 A C +ATOM 721 CB ASN A 74 15.232 -1.316 6.717 1.00 15.00 A C +ATOM 722 CG ASN A 74 14.481 -2.612 6.797 1.00 15.00 A C +ATOM 723 OD1 ASN A 74 13.252 -2.598 6.555 1.00 15.00 A O +ATOM 724 ND2 ASN A 74 15.080 -3.743 7.165 1.00 15.00 A N +ATOM 725 HD21 ASN A 74 16.035 -3.711 7.385 1.00 15.00 A H +ATOM 726 HD22 ASN A 74 14.543 -4.561 7.200 1.00 15.00 A H +ATOM 727 C ASN A 74 13.523 0.079 7.957 1.00 15.00 A C +ATOM 728 O ASN A 74 13.819 -0.599 8.970 1.00 15.00 A O +ATOM 729 N VAL A 75 12.555 0.984 7.937 1.00 15.00 A N +ATOM 730 HN VAL A 75 12.357 1.478 7.114 1.00 15.00 A H +ATOM 731 CA VAL A 75 11.772 1.244 9.174 1.00 15.00 A C +ATOM 732 CB VAL A 75 11.139 2.644 9.038 1.00 15.00 A C +ATOM 733 CG1 VAL A 75 9.958 2.886 9.952 1.00 15.00 A C +ATOM 734 CG2 VAL A 75 12.244 3.676 9.248 1.00 15.00 A C +ATOM 735 C VAL A 75 10.799 0.107 9.481 1.00 15.00 A C +ATOM 736 O VAL A 75 10.574 -0.157 10.693 1.00 15.00 A O +ATOM 737 N CYS A 76 10.250 -0.589 8.502 1.00 15.00 A N +ATOM 738 HN CYS A 76 10.451 -0.359 7.571 1.00 15.00 A H +ATOM 739 CA CYS A 76 9.343 -1.703 8.792 1.00 15.00 A C +ATOM 740 C CYS A 76 10.143 -2.928 9.238 1.00 15.00 A C +ATOM 741 O CYS A 76 9.508 -3.864 9.777 1.00 15.00 A O +ATOM 742 CB CYS A 76 8.477 -2.065 7.622 1.00 15.00 A C +ATOM 743 SG CYS A 76 7.187 -0.802 7.389 1.00 15.00 A S +ATOM 744 N GLY A 77 11.434 -2.884 9.024 1.00 15.00 A N +ATOM 745 HN GLY A 77 11.821 -2.122 8.545 1.00 15.00 A H +ATOM 746 CA GLY A 77 12.303 -3.984 9.506 1.00 15.00 A C +ATOM 747 C GLY A 77 12.081 -5.265 8.747 1.00 15.00 A C +ATOM 748 O GLY A 77 12.130 -6.324 9.405 1.00 15.00 A O +ATOM 749 N ILE A 78 11.866 -5.141 7.434 1.00 15.00 A N +ATOM 750 HN ILE A 78 11.867 -4.258 7.008 1.00 15.00 A H +ATOM 751 CA ILE A 78 11.628 -6.353 6.643 1.00 15.00 A C +ATOM 752 CB ILE A 78 10.096 -6.491 6.307 1.00 15.00 A C +ATOM 753 CG1 ILE A 78 9.671 -5.121 5.739 1.00 15.00 A C +ATOM 754 CG2 ILE A 78 9.229 -6.976 7.497 1.00 15.00 A C +ATOM 755 CD1 ILE A 78 8.368 -5.123 4.915 1.00 15.00 A C +ATOM 756 C ILE A 78 12.476 -6.310 5.387 1.00 15.00 A C +ATOM 757 O ILE A 78 13.044 -5.259 5.046 1.00 15.00 A O +ATOM 758 N ARG A 79 12.480 -7.415 4.691 1.00 15.00 A N +ATOM 759 HN ARG A 79 12.069 -8.212 5.088 1.00 15.00 A H +ATOM 760 CA ARG A 79 13.058 -7.537 3.358 1.00 15.00 A C +ATOM 761 CB ARG A 79 13.448 -8.929 2.946 1.00 15.00 A C +ATOM 762 CG ARG A 79 14.450 -9.666 3.825 1.00 15.00 A C +ATOM 763 CD ARG A 79 15.764 -9.092 3.379 1.00 15.00 A C +ATOM 764 NE ARG A 79 16.737 -10.149 3.701 1.00 15.00 A N +ATOM 765 HE ARG A 79 16.461 -11.089 3.688 1.00 15.00 A H +ATOM 766 CZ ARG A 79 18.000 -9.802 4.009 1.00 15.00 A C +ATOM 767 NH1 ARG A 79 18.527 -8.586 3.837 1.00 15.00 A N +ATOM 768 HH11 ARG A 79 19.516 -8.405 4.103 1.00 15.00 A H +ATOM 769 HH12 ARG A 79 17.947 -7.821 3.436 1.00 15.00 A H +ATOM 770 NH2 ARG A 79 18.757 -10.779 4.540 1.00 15.00 A N +ATOM 771 HH21 ARG A 79 18.355 -11.726 4.687 1.00 15.00 A H +ATOM 772 HH22 ARG A 79 19.745 -10.586 4.804 1.00 15.00 A H +ATOM 773 C ARG A 79 11.939 -7.045 2.425 1.00 15.00 A C +ATOM 774 O ARG A 79 10.774 -7.440 2.719 1.00 15.00 A O +ATOM 775 N CYS A 80 12.142 -6.297 1.362 1.00 15.00 A N +ATOM 776 HN CYS A 80 13.056 -6.007 1.158 1.00 15.00 A H +ATOM 777 CA CYS A 80 11.062 -5.885 0.480 1.00 15.00 A C +ATOM 778 C CYS A 80 10.364 -7.054 -0.229 1.00 15.00 A C +ATOM 779 O CYS A 80 9.185 -6.843 -0.584 1.00 15.00 A O +ATOM 780 CB CYS A 80 11.584 -4.889 -0.548 1.00 15.00 A C +ATOM 781 SG CYS A 80 12.293 -3.346 0.074 1.00 15.00 A S +ATOM 782 N SER A 81 11.016 -8.192 -0.382 1.00 15.00 A N +ATOM 783 HN SER A 81 11.944 -8.250 -0.072 1.00 15.00 A H +ATOM 784 CA SER A 81 10.400 -9.379 -1.004 1.00 15.00 A C +ATOM 785 CB SER A 81 11.492 -10.422 -1.196 1.00 15.00 A C +ATOM 786 OG SER A 81 12.047 -10.737 0.091 1.00 15.00 A O +ATOM 787 HG SER A 81 11.439 -11.304 0.571 1.00 15.00 A H +ATOM 788 C SER A 81 9.220 -9.908 -0.202 1.00 15.00 A C +ATOM 789 O SER A 81 8.307 -10.520 -0.802 1.00 15.00 A O +ATOM 790 N GLN A 82 9.136 -9.644 1.099 1.00 15.00 A N +ATOM 791 HN GLN A 82 9.876 -9.160 1.520 1.00 15.00 A H +ATOM 792 CA GLN A 82 8.004 -10.035 1.938 1.00 15.00 A C +ATOM 793 CB GLN A 82 8.280 -9.879 3.425 1.00 15.00 A C +ATOM 794 CG GLN A 82 9.548 -10.654 3.795 1.00 15.00 A C +ATOM 795 CD GLN A 82 9.831 -10.533 5.278 1.00 15.00 A C +ATOM 796 OE1 GLN A 82 10.805 -9.979 5.793 1.00 15.00 A O +ATOM 797 NE2 GLN A 82 8.876 -11.103 6.020 1.00 15.00 A N +ATOM 798 HE21 GLN A 82 8.120 -11.524 5.558 1.00 15.00 A H +ATOM 799 HE22 GLN A 82 8.970 -11.077 6.995 1.00 15.00 A H +ATOM 800 C GLN A 82 6.746 -9.216 1.643 1.00 15.00 A C +ATOM 801 O GLN A 82 5.678 -9.614 2.147 1.00 15.00 A O +ATOM 802 N LEU A 83 6.870 -8.144 0.887 1.00 15.00 A N +ATOM 803 HN LEU A 83 7.771 -7.914 0.577 1.00 15.00 A H +ATOM 804 CA LEU A 83 5.784 -7.280 0.479 1.00 15.00 A C +ATOM 805 CB LEU A 83 6.299 -5.830 0.312 1.00 15.00 A C +ATOM 806 CG LEU A 83 6.792 -5.156 1.588 1.00 15.00 A C +ATOM 807 CD1 LEU A 83 7.360 -3.776 1.276 1.00 15.00 A C +ATOM 808 CD2 LEU A 83 5.637 -5.029 2.577 1.00 15.00 A C +ATOM 809 C LEU A 83 5.140 -7.780 -0.815 1.00 15.00 A C +ATOM 810 O LEU A 83 4.166 -7.156 -1.289 1.00 15.00 A O +ATOM 811 N LEU A 84 5.697 -8.863 -1.374 1.00 15.00 A N +ATOM 812 HN LEU A 84 6.453 -9.319 -0.948 1.00 15.00 A H +ATOM 813 CA LEU A 84 5.137 -9.351 -2.656 1.00 15.00 A C +ATOM 814 CB LEU A 84 6.297 -9.427 -3.661 1.00 15.00 A C +ATOM 815 CG LEU A 84 7.119 -8.181 -3.907 1.00 15.00 A C +ATOM 816 CD1 LEU A 84 8.286 -8.658 -4.791 1.00 15.00 A C +ATOM 817 CD2 LEU A 84 6.377 -7.055 -4.604 1.00 15.00 A C +ATOM 818 C LEU A 84 4.376 -10.670 -2.531 1.00 15.00 A C +ATOM 819 O LEU A 84 3.975 -11.167 -3.593 1.00 15.00 A O +ATOM 820 N THR A 85 4.183 -11.171 -1.338 1.00 15.00 A N +ATOM 821 HN THR A 85 4.515 -10.693 -0.550 1.00 15.00 A H +ATOM 822 CA THR A 85 3.466 -12.456 -1.170 1.00 15.00 A C +ATOM 823 CB THR A 85 3.968 -13.014 0.204 1.00 15.00 A C +ATOM 824 OG1 THR A 85 3.548 -12.099 1.256 1.00 15.00 A O +ATOM 825 HG1 THR A 85 3.177 -12.599 1.986 1.00 15.00 A H +ATOM 826 CG2 THR A 85 5.491 -13.204 0.178 1.00 15.00 A C +ATOM 827 C THR A 85 1.974 -12.330 -1.337 1.00 15.00 A C +ATOM 828 O THR A 85 1.397 -11.226 -1.279 1.00 15.00 A O +ATOM 829 N ASP A 86 1.343 -13.489 -1.591 1.00 15.00 A N +ATOM 830 HN ASP A 86 1.848 -14.329 -1.620 1.00 15.00 A H +ATOM 831 CA ASP A 86 -0.137 -13.489 -1.831 1.00 15.00 A C +ATOM 832 CB ASP A 86 -0.545 -14.776 -2.519 1.00 15.00 A C +ATOM 833 CG ASP A 86 0.171 -15.157 -3.811 1.00 15.00 A C +ATOM 834 OD1 ASP A 86 0.591 -14.330 -4.667 1.00 15.00 A O +ATOM 835 OD2 ASP A 86 0.377 -16.360 -4.119 1.00 15.00 A O +ATOM 836 C ASP A 86 -0.778 -13.137 -0.492 1.00 15.00 A C +ATOM 837 O ASP A 86 -1.802 -12.437 -0.444 1.00 15.00 A O +ATOM 838 N ASP A 87 -0.147 -13.601 0.570 1.00 15.00 A N +ATOM 839 HN ASP A 87 0.642 -14.163 0.423 1.00 15.00 A H +ATOM 840 CA ASP A 87 -0.549 -13.331 1.964 1.00 15.00 A C +ATOM 841 CB ASP A 87 0.029 -14.370 2.906 1.00 15.00 A C +ATOM 842 CG ASP A 87 -0.029 -13.952 4.372 1.00 15.00 A C +ATOM 843 OD1 ASP A 87 -1.111 -13.619 4.842 1.00 15.00 A O +ATOM 844 OD2 ASP A 87 1.057 -13.958 4.988 1.00 15.00 A O +ATOM 845 C ASP A 87 -0.130 -11.868 2.267 1.00 15.00 A C +ATOM 846 O ASP A 87 1.057 -11.463 2.182 1.00 15.00 A O +ATOM 847 N LEU A 88 -1.131 -11.098 2.648 1.00 15.00 A N +ATOM 848 HN LEU A 88 -2.012 -11.507 2.781 1.00 15.00 A H +ATOM 849 CA LEU A 88 -0.985 -9.648 2.882 1.00 15.00 A C +ATOM 850 CB LEU A 88 -2.348 -8.945 2.771 1.00 15.00 A C +ATOM 851 CG LEU A 88 -2.759 -8.559 1.343 1.00 15.00 A C +ATOM 852 CD1 LEU A 88 -2.954 -9.768 0.429 1.00 15.00 A C +ATOM 853 CD2 LEU A 88 -4.090 -7.791 1.295 1.00 15.00 A C +ATOM 854 C LEU A 88 -0.481 -9.259 4.293 1.00 15.00 A C +ATOM 855 O LEU A 88 -0.241 -8.087 4.576 1.00 15.00 A O +ATOM 856 N THR A 89 -0.334 -10.276 5.255 1.00 15.00 A N +ATOM 857 HN THR A 89 -0.481 -11.217 5.025 1.00 15.00 A H +ATOM 858 CA THR A 89 0.045 -9.880 6.606 1.00 15.00 A C +ATOM 859 CB THR A 89 0.362 -11.184 7.466 1.00 15.00 A C +ATOM 860 OG1 THR A 89 -0.828 -11.996 7.305 1.00 15.00 A O +ATOM 861 HG1 THR A 89 -0.770 -12.491 6.485 1.00 15.00 A H +ATOM 862 CG2 THR A 89 0.719 -10.820 8.902 1.00 15.00 A C +ATOM 863 C THR A 89 1.201 -8.917 6.805 1.00 15.00 A C +ATOM 864 O THR A 89 1.013 -7.990 7.621 1.00 15.00 A O +ATOM 865 N VAL A 90 2.325 -9.145 6.175 1.00 15.00 A N +ATOM 866 HN VAL A 90 2.388 -9.906 5.561 1.00 15.00 A H +ATOM 867 CA VAL A 90 3.491 -8.280 6.374 1.00 15.00 A C +ATOM 868 CB VAL A 90 4.806 -8.975 5.968 1.00 15.00 A C +ATOM 869 CG1 VAL A 90 6.006 -8.042 5.914 1.00 15.00 A C +ATOM 870 CG2 VAL A 90 5.066 -10.168 6.884 1.00 15.00 A C +ATOM 871 C VAL A 90 3.232 -6.950 5.639 1.00 15.00 A C +ATOM 872 O VAL A 90 3.623 -5.893 6.212 1.00 15.00 A O +ATOM 873 N ALA A 91 2.648 -6.924 4.469 1.00 15.00 A N +ATOM 874 HN ALA A 91 2.397 -7.771 4.043 1.00 15.00 A H +ATOM 875 CA ALA A 91 2.356 -5.660 3.773 1.00 15.00 A C +ATOM 876 CB ALA A 91 1.699 -5.884 2.417 1.00 15.00 A C +ATOM 877 C ALA A 91 1.454 -4.781 4.638 1.00 15.00 A C +ATOM 878 O ALA A 91 1.656 -3.569 4.708 1.00 15.00 A O +ATOM 879 N ILE A 92 0.463 -5.399 5.270 1.00 15.00 A N +ATOM 880 HN ILE A 92 0.381 -6.372 5.186 1.00 15.00 A H +ATOM 881 CA ILE A 92 -0.527 -4.664 6.102 1.00 15.00 A C +ATOM 882 CB ILE A 92 -1.798 -5.508 6.411 1.00 15.00 A C +ATOM 883 CG1 ILE A 92 -2.664 -5.580 5.110 1.00 15.00 A C +ATOM 884 CG2 ILE A 92 -2.629 -4.982 7.606 1.00 15.00 A C +ATOM 885 CD1 ILE A 92 -3.717 -6.725 5.246 1.00 15.00 A C +ATOM 886 C ILE A 92 0.176 -4.122 7.350 1.00 15.00 A C +ATOM 887 O ILE A 92 -0.033 -2.935 7.697 1.00 15.00 A O +ATOM 888 N ARG A 93 1.000 -4.940 7.956 1.00 15.00 A N +ATOM 889 HN ARG A 93 1.137 -5.855 7.629 1.00 15.00 A H +ATOM 890 CA ARG A 93 1.706 -4.449 9.127 1.00 15.00 A C +ATOM 891 CB ARG A 93 2.472 -5.644 9.632 1.00 15.00 A C +ATOM 892 CG ARG A 93 3.524 -5.343 10.696 1.00 15.00 A C +ATOM 893 CD ARG A 93 3.994 -6.676 11.222 1.00 15.00 A C +ATOM 894 NE ARG A 93 2.897 -7.597 10.960 1.00 15.00 A N +ATOM 895 HE ARG A 93 2.214 -7.260 10.352 1.00 15.00 A H +ATOM 896 CZ ARG A 93 2.679 -8.822 11.419 1.00 15.00 A C +ATOM 897 NH1 ARG A 93 3.600 -9.787 11.285 1.00 15.00 A N +ATOM 898 HH11 ARG A 93 3.410 -10.742 11.652 1.00 15.00 A H +ATOM 899 HH12 ARG A 93 4.503 -9.581 10.814 1.00 15.00 A H +ATOM 900 NH2 ARG A 93 1.496 -9.054 12.028 1.00 15.00 A N +ATOM 901 HH21 ARG A 93 1.281 -9.999 12.404 1.00 15.00 A H +ATOM 902 HH22 ARG A 93 0.800 -8.288 12.121 1.00 15.00 A H +ATOM 903 C ARG A 93 2.580 -3.266 8.782 1.00 15.00 A C +ATOM 904 O ARG A 93 2.667 -2.286 9.554 1.00 15.00 A O +ATOM 905 N CYS A 94 3.261 -3.284 7.653 1.00 15.00 A N +ATOM 906 HN CYS A 94 3.163 -4.058 7.060 1.00 15.00 A H +ATOM 907 CA CYS A 94 4.170 -2.181 7.242 1.00 15.00 A C +ATOM 908 C CYS A 94 3.345 -0.957 6.822 1.00 15.00 A C +ATOM 909 O CYS A 94 3.722 0.162 7.271 1.00 15.00 A O +ATOM 910 CB CYS A 94 5.185 -2.701 6.205 1.00 15.00 A C +ATOM 911 SG CYS A 94 6.324 -1.393 5.680 1.00 15.00 A S +ATOM 912 N ALA A 95 2.286 -1.081 6.044 1.00 15.00 A N +ATOM 913 HN ALA A 95 2.082 -1.976 5.702 1.00 15.00 A H +ATOM 914 CA ALA A 95 1.391 0.011 5.652 1.00 15.00 A C +ATOM 915 CB ALA A 95 0.242 -0.524 4.802 1.00 15.00 A C +ATOM 916 C ALA A 95 0.841 0.728 6.887 1.00 15.00 A C +ATOM 917 O ALA A 95 0.712 1.948 7.005 1.00 15.00 A O +ATOM 918 N LYS A 96 0.479 -0.030 7.932 1.00 15.00 A N +ATOM 919 HN LYS A 96 0.528 -1.004 7.826 1.00 15.00 A H +ATOM 920 CA LYS A 96 0.013 0.491 9.223 1.00 15.00 A C +ATOM 921 CB LYS A 96 -0.386 -0.550 10.264 1.00 15.00 A C +ATOM 922 CG LYS A 96 -1.714 -1.208 9.923 1.00 15.00 A C +ATOM 923 CD LYS A 96 -2.028 -2.337 10.932 1.00 15.00 A C +ATOM 924 CE LYS A 96 -3.364 -2.993 10.618 1.00 15.00 A C +ATOM 925 NZ LYS A 96 -3.607 -4.206 11.459 1.00 15.00 A N +ATOM 926 HZ1 LYS A 96 -4.534 -4.619 11.232 1.00 15.00 A H +ATOM 927 HZ2 LYS A 96 -3.591 -3.952 12.467 1.00 15.00 A H +ATOM 928 HZ3 LYS A 96 -2.869 -4.917 11.282 1.00 15.00 A H +ATOM 929 C LYS A 96 1.116 1.361 9.854 1.00 15.00 A C +ATOM 930 O LYS A 96 0.795 2.422 10.421 1.00 15.00 A O +ATOM 931 N ARG A 97 2.366 0.948 9.761 1.00 15.00 A N +ATOM 932 HN ARG A 97 2.541 0.094 9.314 1.00 15.00 A H +ATOM 933 CA ARG A 97 3.505 1.697 10.291 1.00 15.00 A C +ATOM 934 CB ARG A 97 4.782 0.858 10.376 1.00 15.00 A C +ATOM 935 CG ARG A 97 6.023 1.769 10.597 1.00 15.00 A C +ATOM 936 CD ARG A 97 5.930 2.389 11.958 1.00 15.00 A C +ATOM 937 NE ARG A 97 6.987 3.332 12.266 1.00 15.00 A N +ATOM 938 HE ARG A 97 7.703 3.015 12.856 1.00 15.00 A H +ATOM 939 CZ ARG A 97 7.059 4.595 11.810 1.00 15.00 A C +ATOM 940 NH1 ARG A 97 6.142 5.254 11.091 1.00 15.00 A N +ATOM 941 HH11 ARG A 97 5.254 4.785 10.828 1.00 15.00 A H +ATOM 942 HH12 ARG A 97 6.320 6.235 10.797 1.00 15.00 A H +ATOM 943 NH2 ARG A 97 8.185 5.280 12.091 1.00 15.00 A N +ATOM 944 HH21 ARG A 97 8.294 6.261 11.763 1.00 15.00 A H +ATOM 945 HH22 ARG A 97 8.945 4.827 12.637 1.00 15.00 A H +ATOM 946 C ARG A 97 3.717 2.963 9.433 1.00 15.00 A C +ATOM 947 O ARG A 97 3.987 4.072 9.977 1.00 15.00 A O +ATOM 948 N VAL A 98 3.556 2.883 8.107 1.00 15.00 A N +ATOM 949 HN VAL A 98 3.309 2.024 7.706 1.00 15.00 A H +ATOM 950 CA VAL A 98 3.738 4.049 7.242 1.00 15.00 A C +ATOM 951 CB VAL A 98 3.644 3.710 5.738 1.00 15.00 A C +ATOM 952 CG1 VAL A 98 3.652 4.961 4.827 1.00 15.00 A C +ATOM 953 CG2 VAL A 98 4.717 2.710 5.334 1.00 15.00 A C +ATOM 954 C VAL A 98 2.737 5.170 7.587 1.00 15.00 A C +ATOM 955 O VAL A 98 3.225 6.325 7.626 1.00 15.00 A O +ATOM 956 N VAL A 99 1.465 4.838 7.790 1.00 15.00 A N +ATOM 957 HN VAL A 99 1.184 3.900 7.753 1.00 15.00 A H +ATOM 958 CA VAL A 99 0.489 5.891 8.071 1.00 15.00 A C +ATOM 959 CB VAL A 99 -1.002 5.485 7.851 1.00 15.00 A C +ATOM 960 CG1 VAL A 99 -1.258 5.428 6.366 1.00 15.00 A C +ATOM 961 CG2 VAL A 99 -1.358 4.251 8.679 1.00 15.00 A C +ATOM 962 C VAL A 99 0.564 6.520 9.482 1.00 15.00 A C +ATOM 963 O VAL A 99 -0.210 7.499 9.611 1.00 15.00 A O +ATOM 964 N LEU A 100 1.399 6.046 10.369 1.00 15.00 A N +ATOM 965 HN LEU A 100 1.923 5.248 10.145 1.00 15.00 A H +ATOM 966 CA LEU A 100 1.580 6.659 11.682 1.00 15.00 A C +ATOM 967 CB LEU A 100 2.096 5.673 12.733 1.00 15.00 A C +ATOM 968 CG LEU A 100 1.272 4.446 12.996 1.00 15.00 A C +ATOM 969 CD1 LEU A 100 2.052 3.566 13.985 1.00 15.00 A C +ATOM 970 CD2 LEU A 100 -0.077 4.908 13.520 1.00 15.00 A C +ATOM 971 C LEU A 100 2.534 7.866 11.546 1.00 15.00 A C +ATOM 972 O LEU A 100 2.574 8.614 12.520 1.00 15.00 A O +ATOM 973 N ASP A 101 3.244 7.971 10.447 1.00 15.00 A N +ATOM 974 HN ASP A 101 3.186 7.286 9.748 1.00 15.00 A H +ATOM 975 CA ASP A 101 4.130 9.139 10.281 1.00 15.00 A C +ATOM 976 CB ASP A 101 5.182 8.882 9.206 1.00 15.00 A C +ATOM 977 CG ASP A 101 6.498 8.387 9.798 1.00 15.00 A C +ATOM 978 OD1 ASP A 101 6.560 7.922 10.949 1.00 15.00 A O +ATOM 979 OD2 ASP A 101 7.513 8.475 9.078 1.00 15.00 A O +ATOM 980 C ASP A 101 3.193 10.335 10.059 1.00 15.00 A C +ATOM 981 O ASP A 101 2.003 10.272 9.710 1.00 15.00 A O +ATOM 982 N PRO A 102 3.770 11.518 10.269 1.00 15.00 A N +ATOM 983 CA PRO A 102 3.051 12.790 10.138 1.00 15.00 A C +ATOM 984 CB PRO A 102 4.164 13.808 10.384 1.00 15.00 A C +ATOM 985 CG PRO A 102 5.058 13.065 11.361 1.00 15.00 A C +ATOM 986 CD PRO A 102 5.182 11.711 10.671 1.00 15.00 A C +ATOM 987 C PRO A 102 2.311 12.980 8.828 1.00 15.00 A C +ATOM 988 O PRO A 102 1.173 13.516 8.885 1.00 15.00 A O +ATOM 989 N ASN A 103 2.770 12.480 7.754 1.00 15.00 A N +ATOM 990 HN ASN A 103 3.590 11.944 7.762 1.00 15.00 A H +ATOM 991 CA ASN A 103 2.043 12.722 6.498 1.00 15.00 A C +ATOM 992 CB ASN A 103 2.974 12.583 5.316 1.00 15.00 A C +ATOM 993 CG ASN A 103 3.790 13.854 5.139 1.00 15.00 A C +ATOM 994 OD1 ASN A 103 3.522 14.843 5.828 1.00 15.00 A O +ATOM 995 ND2 ASN A 103 4.773 13.894 4.270 1.00 15.00 A N +ATOM 996 HD21 ASN A 103 4.961 13.087 3.746 1.00 15.00 A H +ATOM 997 HD22 ASN A 103 5.279 14.729 4.181 1.00 15.00 A H +ATOM 998 C ASN A 103 0.814 11.806 6.341 1.00 15.00 A C +ATOM 999 O ASN A 103 0.010 11.977 5.421 1.00 15.00 A O +ATOM 1000 N GLY A 104 0.673 10.797 7.277 1.00 15.00 A N +ATOM 1001 HN GLY A 104 1.335 10.671 7.989 1.00 15.00 A H +ATOM 1002 CA GLY A 104 -0.515 9.919 7.156 1.00 15.00 A C +ATOM 1003 C GLY A 104 -0.577 9.286 5.763 1.00 15.00 A C +ATOM 1004 O GLY A 104 0.439 8.979 5.127 1.00 15.00 A O +ATOM 1005 N ILE A 105 -1.788 9.019 5.308 1.00 15.00 A N +ATOM 1006 HN ILE A 105 -2.573 9.262 5.843 1.00 15.00 A H +ATOM 1007 CA ILE A 105 -1.967 8.358 3.998 1.00 15.00 A C +ATOM 1008 CB ILE A 105 -3.435 7.799 3.903 1.00 15.00 A C +ATOM 1009 CG1 ILE A 105 -3.622 6.747 2.789 1.00 15.00 A C +ATOM 1010 CG2 ILE A 105 -4.417 9.000 3.741 1.00 15.00 A C +ATOM 1011 CD1 ILE A 105 -4.921 5.923 2.900 1.00 15.00 A C +ATOM 1012 C ILE A 105 -1.541 9.274 2.845 1.00 15.00 A C +ATOM 1013 O ILE A 105 -1.508 8.709 1.727 1.00 15.00 A O +ATOM 1014 N GLY A 106 -1.211 10.536 3.073 1.00 15.00 A N +ATOM 1015 HN GLY A 106 -1.274 10.836 4.004 1.00 15.00 A H +ATOM 1016 CA GLY A 106 -0.767 11.526 2.096 1.00 15.00 A C +ATOM 1017 C GLY A 106 0.615 11.117 1.636 1.00 15.00 A C +ATOM 1018 O GLY A 106 1.172 11.610 0.663 1.00 15.00 A O +ATOM 1019 N ALA A 107 1.202 10.144 2.329 1.00 15.00 A N +ATOM 1020 HN ALA A 107 0.752 9.785 3.121 1.00 15.00 A H +ATOM 1021 CA ALA A 107 2.505 9.595 1.939 1.00 15.00 A C +ATOM 1022 CB ALA A 107 3.002 8.571 2.949 1.00 15.00 A C +ATOM 1023 C ALA A 107 2.431 8.951 0.552 1.00 15.00 A C +ATOM 1024 O ALA A 107 3.457 8.873 -0.123 1.00 15.00 A O +ATOM 1025 N TRP A 108 1.303 8.411 0.131 1.00 15.00 A N +ATOM 1026 HN TRP A 108 0.537 8.469 0.741 1.00 15.00 A H +ATOM 1027 CA TRP A 108 1.066 7.733 -1.147 1.00 15.00 A C +ATOM 1028 CB TRP A 108 0.012 6.636 -1.006 1.00 15.00 A C +ATOM 1029 CG TRP A 108 0.497 5.372 -0.390 1.00 15.00 A C +ATOM 1030 CD1 TRP A 108 1.117 4.331 -1.029 1.00 15.00 A C +ATOM 1031 CD2 TRP A 108 0.440 5.009 0.998 1.00 15.00 A C +ATOM 1032 NE1 TRP A 108 1.418 3.342 -0.115 1.00 15.00 A N +ATOM 1033 HE1 TRP A 108 1.852 2.491 -0.337 1.00 15.00 A H +ATOM 1034 CE2 TRP A 108 1.011 3.707 1.139 1.00 15.00 A C +ATOM 1035 CE3 TRP A 108 -0.078 5.614 2.142 1.00 15.00 A C +ATOM 1036 CZ2 TRP A 108 1.101 3.052 2.357 1.00 15.00 A C +ATOM 1037 CZ3 TRP A 108 0.003 4.956 3.359 1.00 15.00 A C +ATOM 1038 CH2 TRP A 108 0.591 3.685 3.478 1.00 15.00 A C +ATOM 1039 C TRP A 108 0.629 8.741 -2.196 1.00 15.00 A C +ATOM 1040 O TRP A 108 -0.433 9.370 -2.060 1.00 15.00 A O +ATOM 1041 N VAL A 109 1.415 8.890 -3.242 1.00 15.00 A N +ATOM 1042 HN VAL A 109 2.231 8.351 -3.302 1.00 15.00 A H +ATOM 1043 CA VAL A 109 1.106 9.839 -4.323 1.00 15.00 A C +ATOM 1044 CB VAL A 109 2.196 9.937 -5.394 1.00 15.00 A C +ATOM 1045 CG1 VAL A 109 1.836 11.002 -6.438 1.00 15.00 A C +ATOM 1046 CG2 VAL A 109 3.564 10.205 -4.818 1.00 15.00 A C +ATOM 1047 C VAL A 109 -0.209 9.440 -4.973 1.00 15.00 A C +ATOM 1048 O VAL A 109 -0.951 10.401 -5.269 1.00 15.00 A O +ATOM 1049 N ALA A 110 -0.451 8.149 -5.174 1.00 15.00 A N +ATOM 1050 HN ALA A 110 0.190 7.469 -4.880 1.00 15.00 A H +ATOM 1051 CA ALA A 110 -1.706 7.757 -5.850 1.00 15.00 A C +ATOM 1052 CB ALA A 110 -1.788 6.271 -6.127 1.00 15.00 A C +ATOM 1053 C ALA A 110 -2.927 8.183 -5.046 1.00 15.00 A C +ATOM 1054 O ALA A 110 -3.935 8.470 -5.744 1.00 15.00 A O +ATOM 1055 N TRP A 111 -2.799 8.176 -3.721 1.00 15.00 A N +ATOM 1056 HN TRP A 111 -1.956 7.899 -3.305 1.00 15.00 A H +ATOM 1057 CA TRP A 111 -3.953 8.594 -2.879 1.00 15.00 A C +ATOM 1058 CB TRP A 111 -3.739 8.119 -1.430 1.00 15.00 A C +ATOM 1059 CG TRP A 111 -4.905 8.501 -0.579 1.00 15.00 A C +ATOM 1060 CD1 TRP A 111 -6.068 7.819 -0.286 1.00 15.00 A C +ATOM 1061 CD2 TRP A 111 -5.028 9.769 0.090 1.00 15.00 A C +ATOM 1062 NE1 TRP A 111 -6.888 8.561 0.537 1.00 15.00 A N +ATOM 1063 HE1 TRP A 111 -7.760 8.283 0.887 1.00 15.00 A H +ATOM 1064 CE2 TRP A 111 -6.264 9.761 0.772 1.00 15.00 A C +ATOM 1065 CE3 TRP A 111 -4.161 10.856 0.190 1.00 15.00 A C +ATOM 1066 CZ2 TRP A 111 -6.689 10.853 1.519 1.00 15.00 A C +ATOM 1067 CZ3 TRP A 111 -4.573 11.947 0.931 1.00 15.00 A C +ATOM 1068 CH2 TRP A 111 -5.804 11.935 1.575 1.00 15.00 A C +ATOM 1069 C TRP A 111 -4.186 10.113 -3.086 1.00 15.00 A C +ATOM 1070 O TRP A 111 -5.336 10.568 -3.282 1.00 15.00 A O +ATOM 1071 N ARG A 112 -3.127 10.901 -2.987 1.00 15.00 A N +ATOM 1072 HN ARG A 112 -2.261 10.490 -2.786 1.00 15.00 A H +ATOM 1073 CA ARG A 112 -3.181 12.376 -3.162 1.00 15.00 A C +ATOM 1074 CB ARG A 112 -1.778 12.992 -3.061 1.00 15.00 A C +ATOM 1075 CG ARG A 112 -1.310 12.970 -1.594 1.00 15.00 A C +ATOM 1076 CD ARG A 112 -0.248 13.984 -1.320 1.00 15.00 A C +ATOM 1077 NE ARG A 112 0.766 14.206 -2.349 1.00 15.00 A N +ATOM 1078 HE ARG A 112 0.595 14.907 -3.013 1.00 15.00 A H +ATOM 1079 CZ ARG A 112 1.911 13.502 -2.431 1.00 15.00 A C +ATOM 1080 NH1 ARG A 112 2.247 12.561 -1.538 1.00 15.00 A N +ATOM 1081 HH11 ARG A 112 3.142 12.043 -1.641 1.00 15.00 A H +ATOM 1082 HH12 ARG A 112 1.613 12.351 -0.743 1.00 15.00 A H +ATOM 1083 NH2 ARG A 112 2.766 13.744 -3.438 1.00 15.00 A N +ATOM 1084 HH21 ARG A 112 3.652 13.204 -3.508 1.00 15.00 A H +ATOM 1085 HH22 ARG A 112 2.541 14.470 -4.147 1.00 15.00 A H +ATOM 1086 C ARG A 112 -3.853 12.736 -4.470 1.00 15.00 A C +ATOM 1087 O ARG A 112 -4.749 13.582 -4.510 1.00 15.00 A O +ATOM 1088 N LEU A 113 -3.505 11.964 -5.486 1.00 15.00 A N +ATOM 1089 HN LEU A 113 -2.921 11.199 -5.299 1.00 15.00 A H +ATOM 1090 CA LEU A 113 -3.932 12.173 -6.874 1.00 15.00 A C +ATOM 1091 CB LEU A 113 -3.003 11.411 -7.809 1.00 15.00 A C +ATOM 1092 CG LEU A 113 -2.388 12.317 -8.862 1.00 15.00 A C +ATOM 1093 CD1 LEU A 113 -1.670 13.529 -8.264 1.00 15.00 A C +ATOM 1094 CD2 LEU A 113 -1.356 11.607 -9.732 1.00 15.00 A C +ATOM 1095 C LEU A 113 -5.369 11.703 -7.196 1.00 15.00 A C +ATOM 1096 O LEU A 113 -6.193 12.473 -7.711 1.00 15.00 A O +ATOM 1097 N HIS A 114 -5.666 10.417 -6.995 1.00 15.00 A N +ATOM 1098 HN HIS A 114 -4.982 9.824 -6.620 1.00 15.00 A H +ATOM 1099 CA HIS A 114 -6.984 9.867 -7.320 1.00 15.00 A C +ATOM 1100 CB HIS A 114 -6.837 8.458 -7.982 1.00 15.00 A C +ATOM 1101 CG HIS A 114 -5.898 8.551 -9.127 1.00 15.00 A C +ATOM 1102 ND1 HIS A 114 -4.619 8.078 -9.052 1.00 15.00 A N +ATOM 1103 HD1 HIS A 114 -4.208 7.652 -8.271 1.00 15.00 A H +ATOM 1104 CD2 HIS A 114 -6.097 9.064 -10.363 1.00 15.00 A C +ATOM 1105 CE1 HIS A 114 -4.011 8.290 -10.214 1.00 15.00 A C +ATOM 1106 NE2 HIS A 114 -4.900 8.872 -10.997 1.00 15.00 A N +ATOM 1107 HE2 HIS A 114 -4.721 9.134 -11.925 1.00 15.00 A H +ATOM 1108 C HIS A 114 -7.995 9.606 -6.222 1.00 15.00 A C +ATOM 1109 O HIS A 114 -9.127 9.330 -6.636 1.00 15.00 A O +ATOM 1110 N CYS A 115 -7.682 9.676 -4.958 1.00 15.00 A N +ATOM 1111 HN CYS A 115 -6.775 9.957 -4.718 1.00 15.00 A H +ATOM 1112 CA CYS A 115 -8.607 9.358 -3.894 1.00 15.00 A C +ATOM 1113 C CYS A 115 -8.946 10.502 -2.962 1.00 15.00 A C +ATOM 1114 O CYS A 115 -10.076 10.482 -2.454 1.00 15.00 A O +ATOM 1115 CB CYS A 115 -7.998 8.247 -2.997 1.00 15.00 A C +ATOM 1116 SG CYS A 115 -7.339 6.832 -3.951 1.00 15.00 A S +ATOM 1117 N GLN A 116 -7.937 11.352 -2.755 1.00 15.00 A N +ATOM 1118 HN GLN A 116 -7.072 11.218 -3.195 1.00 15.00 A H +ATOM 1119 CA GLN A 116 -8.152 12.507 -1.842 1.00 15.00 A C +ATOM 1120 CB GLN A 116 -6.885 13.322 -1.684 1.00 15.00 A C +ATOM 1121 CG GLN A 116 -6.987 14.490 -0.736 1.00 15.00 A C +ATOM 1122 CD GLN A 116 -5.706 15.229 -0.470 1.00 15.00 A C +ATOM 1123 OE1 GLN A 116 -5.557 15.893 0.576 1.00 15.00 A O +ATOM 1124 NE2 GLN A 116 -4.715 15.150 -1.349 1.00 15.00 A N +ATOM 1125 HE21 GLN A 116 -4.852 14.606 -2.152 1.00 15.00 A H +ATOM 1126 HE22 GLN A 116 -3.888 15.639 -1.159 1.00 15.00 A H +ATOM 1127 C GLN A 116 -9.306 13.384 -2.343 1.00 15.00 A C +ATOM 1128 O GLN A 116 -9.295 13.708 -3.559 1.00 15.00 A O +ATOM 1129 N ASN A 117 -10.262 13.667 -1.453 1.00 15.00 A N +ATOM 1130 HN ASN A 117 -10.194 13.298 -0.549 1.00 15.00 A H +ATOM 1131 CA ASN A 117 -11.424 14.526 -1.798 1.00 15.00 A C +ATOM 1132 CB ASN A 117 -10.961 15.885 -2.393 1.00 15.00 A C +ATOM 1133 CG ASN A 117 -10.224 16.810 -1.451 1.00 15.00 A C +ATOM 1134 OD1 ASN A 117 -10.497 16.837 -0.225 1.00 15.00 A O +ATOM 1135 ND2 ASN A 117 -9.241 17.573 -1.969 1.00 15.00 A N +ATOM 1136 HD21 ASN A 117 -9.050 17.493 -2.927 1.00 15.00 A H +ATOM 1137 HD22 ASN A 117 -8.757 18.176 -1.367 1.00 15.00 A H +ATOM 1138 C ASN A 117 -12.439 13.943 -2.778 1.00 15.00 A C +ATOM 1139 O ASN A 117 -13.307 14.700 -3.304 1.00 15.00 A O +ATOM 1140 N GLN A 118 -12.330 12.666 -3.074 1.00 15.00 A N +ATOM 1141 HN GLN A 118 -11.632 12.128 -2.647 1.00 15.00 A H +ATOM 1142 CA GLN A 118 -13.251 12.035 -4.045 1.00 15.00 A C +ATOM 1143 CB GLN A 118 -12.433 11.174 -5.027 1.00 15.00 A C +ATOM 1144 CG GLN A 118 -12.720 11.658 -6.458 1.00 15.00 A C +ATOM 1145 CD GLN A 118 -11.435 12.027 -7.172 1.00 15.00 A C +ATOM 1146 OE1 GLN A 118 -10.696 12.900 -6.692 1.00 15.00 A O +ATOM 1147 NE2 GLN A 118 -11.205 11.337 -8.299 1.00 15.00 A N +ATOM 1148 HE21 GLN A 118 -11.864 10.665 -8.572 1.00 15.00 A H +ATOM 1149 HE22 GLN A 118 -10.389 11.533 -8.803 1.00 15.00 A H +ATOM 1150 C GLN A 118 -14.341 11.215 -3.386 1.00 15.00 A C +ATOM 1151 O GLN A 118 -14.221 11.031 -2.145 1.00 15.00 A O +ATOM 1152 N ASP A 119 -15.328 10.784 -4.168 1.00 15.00 A N +ATOM 1153 HN ASP A 119 -15.361 11.034 -5.115 1.00 15.00 A H +ATOM 1154 CA ASP A 119 -16.381 9.919 -3.575 1.00 15.00 A C +ATOM 1155 CB ASP A 119 -17.786 9.918 -4.137 1.00 15.00 A C +ATOM 1156 CG ASP A 119 -18.862 9.648 -3.084 1.00 15.00 A C +ATOM 1157 OD1 ASP A 119 -18.725 8.662 -2.303 1.00 15.00 A O +ATOM 1158 OD2 ASP A 119 -19.837 10.439 -3.021 1.00 15.00 A O +ATOM 1159 C ASP A 119 -15.772 8.500 -3.727 1.00 15.00 A C +ATOM 1160 O ASP A 119 -15.572 8.082 -4.889 1.00 15.00 A O +ATOM 1161 N LEU A 120 -15.523 7.871 -2.593 1.00 15.00 A N +ATOM 1162 HN LEU A 120 -15.749 8.259 -1.722 1.00 15.00 A H +ATOM 1163 CA LEU A 120 -14.874 6.530 -2.722 1.00 15.00 A C +ATOM 1164 CB LEU A 120 -13.659 6.629 -1.808 1.00 15.00 A C +ATOM 1165 CG LEU A 120 -12.548 7.633 -1.930 1.00 15.00 A C +ATOM 1166 CD1 LEU A 120 -11.387 7.209 -1.036 1.00 15.00 A C +ATOM 1167 CD2 LEU A 120 -11.960 7.730 -3.330 1.00 15.00 A C +ATOM 1168 C LEU A 120 -15.838 5.386 -2.474 1.00 15.00 A C +ATOM 1169 O LEU A 120 -15.412 4.222 -2.378 1.00 15.00 A O +ATOM 1170 N ARG A 121 -17.122 5.688 -2.457 1.00 15.00 A N +ATOM 1171 HN ARG A 121 -17.412 6.611 -2.618 1.00 15.00 A H +ATOM 1172 CA ARG A 121 -18.129 4.626 -2.195 1.00 15.00 A C +ATOM 1173 CB ARG A 121 -19.520 5.271 -2.049 1.00 15.00 A C +ATOM 1174 CG ARG A 121 -20.161 4.719 -0.753 1.00 15.00 A C +ATOM 1175 CD ARG A 121 -19.253 4.542 0.417 1.00 15.00 A C +ATOM 1176 NE ARG A 121 -19.467 3.374 1.293 1.00 15.00 A N +ATOM 1177 HE ARG A 121 -20.113 2.697 1.003 1.00 15.00 A H +ATOM 1178 CZ ARG A 121 -18.815 3.200 2.467 1.00 15.00 A C +ATOM 1179 NH1 ARG A 121 -17.727 3.928 2.780 1.00 15.00 A N +ATOM 1180 HH11 ARG A 121 -17.243 3.776 3.687 1.00 15.00 A H +ATOM 1181 HH12 ARG A 121 -17.370 4.642 2.113 1.00 15.00 A H +ATOM 1182 NH2 ARG A 121 -19.261 2.297 3.361 1.00 15.00 A N +ATOM 1183 HH21 ARG A 121 -20.107 1.730 3.150 1.00 15.00 A H +ATOM 1184 HH22 ARG A 121 -18.758 2.165 4.261 1.00 15.00 A H +ATOM 1185 C ARG A 121 -18.089 3.517 -3.227 1.00 15.00 A C +ATOM 1186 O ARG A 121 -18.223 2.333 -2.849 1.00 15.00 A O +ATOM 1187 N SER A 122 -17.862 3.872 -4.483 1.00 15.00 A N +ATOM 1188 HN SER A 122 -17.762 4.816 -4.727 1.00 15.00 A H +ATOM 1189 CA SER A 122 -17.766 2.829 -5.490 1.00 15.00 A C +ATOM 1190 CB SER A 122 -17.413 3.507 -6.812 1.00 15.00 A C +ATOM 1191 OG SER A 122 -16.457 4.513 -6.510 1.00 15.00 A O +ATOM 1192 HG SER A 122 -15.574 4.141 -6.557 1.00 15.00 A H +ATOM 1193 C SER A 122 -16.715 1.764 -5.207 1.00 15.00 A C +ATOM 1194 O SER A 122 -16.859 0.625 -5.717 1.00 15.00 A O +ATOM 1195 N TYR A 123 -15.666 2.123 -4.475 1.00 15.00 A N +ATOM 1196 HN TYR A 123 -15.616 3.028 -4.102 1.00 15.00 A H +ATOM 1197 CA TYR A 123 -14.572 1.154 -4.222 1.00 15.00 A C +ATOM 1198 CB TYR A 123 -13.281 1.822 -3.633 1.00 15.00 A C +ATOM 1199 CG TYR A 123 -12.621 2.686 -4.669 1.00 15.00 A C +ATOM 1200 CD1 TYR A 123 -11.772 2.114 -5.615 1.00 15.00 A C +ATOM 1201 CD2 TYR A 123 -12.888 4.067 -4.744 1.00 15.00 A C +ATOM 1202 CE1 TYR A 123 -11.159 2.893 -6.599 1.00 15.00 A C +ATOM 1203 CE2 TYR A 123 -12.288 4.854 -5.728 1.00 15.00 A C +ATOM 1204 CZ TYR A 123 -11.440 4.256 -6.657 1.00 15.00 A C +ATOM 1205 OH TYR A 123 -10.837 5.050 -7.627 1.00 15.00 A O +ATOM 1206 HH TYR A 123 -10.493 5.848 -7.220 1.00 15.00 A H +ATOM 1207 C TYR A 123 -14.987 -0.017 -3.339 1.00 15.00 A C +ATOM 1208 O TYR A 123 -14.343 -1.073 -3.489 1.00 15.00 A O +ATOM 1209 N VAL A 124 -15.974 0.204 -2.504 1.00 15.00 A N +ATOM 1210 HN VAL A 124 -16.393 1.089 -2.476 1.00 15.00 A H +ATOM 1211 CA VAL A 124 -16.471 -0.875 -1.594 1.00 15.00 A C +ATOM 1212 CB VAL A 124 -16.359 -0.380 -0.139 1.00 15.00 A C +ATOM 1213 CG1 VAL A 124 -14.901 -0.328 0.274 1.00 15.00 A C +ATOM 1214 CG2 VAL A 124 -17.080 0.951 0.087 1.00 15.00 A C +ATOM 1215 C VAL A 124 -17.877 -1.353 -1.981 1.00 15.00 A C +ATOM 1216 O VAL A 124 -18.439 -2.261 -1.325 1.00 15.00 A O +ATOM 1217 N ALA A 125 -18.433 -0.768 -3.030 1.00 15.00 A N +ATOM 1218 HN ALA A 125 -17.921 -0.079 -3.504 1.00 15.00 A H +ATOM 1219 CA ALA A 125 -19.776 -1.098 -3.518 1.00 15.00 A C +ATOM 1220 CB ALA A 125 -20.259 -0.169 -4.616 1.00 15.00 A C +ATOM 1221 C ALA A 125 -19.799 -2.552 -4.015 1.00 15.00 A C +ATOM 1222 O ALA A 125 -18.975 -3.045 -4.771 1.00 15.00 A O +ATOM 1223 N GLY A 126 -20.835 -3.194 -3.483 1.00 15.00 A N +ATOM 1224 HN GLY A 126 -21.428 -2.665 -2.910 1.00 15.00 A H +ATOM 1225 CA GLY A 126 -21.179 -4.605 -3.665 1.00 15.00 A C +ATOM 1226 C GLY A 126 -20.345 -5.624 -2.862 1.00 15.00 A C +ATOM 1227 O GLY A 126 -20.510 -6.840 -3.135 1.00 15.00 A O +ATOM 1228 N CYS A 127 -19.482 -5.179 -1.954 1.00 15.00 A N +ATOM 1229 HN CYS A 127 -19.429 -4.215 -1.786 1.00 15.00 A H +ATOM 1230 CA CYS A 127 -18.606 -6.078 -1.198 1.00 15.00 A C +ATOM 1231 C CYS A 127 -19.266 -6.650 0.048 1.00 15.00 A C +ATOM 1232 O CYS A 127 -18.678 -7.591 0.612 1.00 15.00 A O +ATOM 1233 CB CYS A 127 -17.330 -5.302 -0.857 1.00 15.00 A C +ATOM 1234 SG CYS A 127 -16.488 -4.772 -2.363 1.00 15.00 A S +ATOM 1235 N GLY A 128 -20.381 -6.086 0.483 1.00 15.00 A N +ATOM 1236 HN GLY A 128 -20.726 -5.318 -0.019 1.00 15.00 A H +ATOM 1237 CA GLY A 128 -21.126 -6.532 1.659 1.00 15.00 A C +ATOM 1238 C GLY A 128 -20.300 -6.513 2.949 1.00 15.00 A C +ATOM 1239 O GLY A 128 -20.329 -7.401 3.813 1.00 15.00 A O +ATOM 1240 N VAL A 129 -19.510 -5.445 3.044 1.00 15.00 A N +ATOM 1241 HN VAL A 129 -19.544 -4.820 2.289 1.00 15.00 A H +ATOM 1242 CA VAL A 129 -18.597 -5.081 4.133 1.00 15.00 A C +ATOM 1243 CB VAL A 129 -17.109 -5.463 3.977 1.00 15.00 A C +ATOM 1244 CG1 VAL A 129 -16.867 -6.967 4.067 1.00 15.00 A C +ATOM 1245 CG2 VAL A 129 -16.562 -4.842 2.702 1.00 15.00 A C +ATOM 1246 C VAL A 129 -18.688 -3.532 4.357 1.00 15.00 A C +ATOM 1247 O VAL A 129 -18.742 -3.343 5.619 1.00 15.00 A O +ATOM 1248 C1 NDG B 1 7.425 8.949 3.217 1.00 15.00 B C +ATOM 1249 H1 NDG B 1 8.139 9.067 4.047 1.00 15.00 B H +ATOM 1250 O1 NDG B 1 6.111 9.027 3.748 1.00 15.00 B O +ATOM 1251 HO1 NDG B 1 5.987 8.328 4.393 1.00 15.00 B H +ATOM 1252 C2 NDG B 1 7.748 10.028 2.157 1.00 15.00 B C +ATOM 1253 H2 NDG B 1 8.837 10.000 1.990 1.00 15.00 B H +ATOM 1254 N2 NDG B 1 7.401 11.373 2.643 1.00 15.00 B N +ATOM 1255 HN2 NDG B 1 6.460 11.567 2.835 1.00 15.00 B H +ATOM 1256 C7 NDG B 1 8.324 12.393 2.848 1.00 15.00 B C +ATOM 1257 O7 NDG B 1 9.551 12.303 2.649 1.00 15.00 B O +ATOM 1258 C8 NDG B 1 7.764 13.713 3.355 1.00 15.00 B C +ATOM 1259 H81 NDG B 1 7.034 14.117 2.641 1.00 15.00 B H +ATOM 1260 H82 NDG B 1 8.573 14.446 3.482 1.00 15.00 B H +ATOM 1261 H83 NDG B 1 7.266 13.569 4.324 1.00 15.00 B H +ATOM 1262 C3 NDG B 1 7.060 9.738 0.810 1.00 15.00 B C +ATOM 1263 H3 NDG B 1 5.971 9.806 0.938 1.00 15.00 B H +ATOM 1264 O3 NDG B 1 7.512 10.696 -0.166 1.00 15.00 B O +ATOM 1265 HO3 NDG B 1 7.084 10.518 -1.007 1.00 15.00 B H +ATOM 1266 C4 NDG B 1 7.429 8.328 0.321 1.00 15.00 B C +ATOM 1267 H4 NDG B 1 8.516 8.291 0.151 1.00 15.00 B H +ATOM 1268 O4 NDG B 1 6.719 8.058 -0.945 1.00 15.00 B O +ATOM 1269 C5 NDG B 1 7.047 7.255 1.357 1.00 15.00 B C +ATOM 1270 H5 NDG B 1 5.957 7.301 1.514 1.00 15.00 B H +ATOM 1271 O5 NDG B 1 7.683 7.600 2.655 1.00 15.00 B O +ATOM 1272 C6 NDG B 1 7.440 5.818 0.984 1.00 15.00 B C +ATOM 1273 H61 NDG B 1 6.919 5.542 0.060 1.00 15.00 B H +ATOM 1274 H62 NDG B 1 7.117 5.132 1.783 1.00 15.00 B H +ATOM 1275 O6 NDG B 1 8.862 5.725 0.802 1.00 15.00 B O +ATOM 1276 HO6 NDG B 1 9.251 5.271 1.553 1.00 15.00 B H +ATOM 1277 C1 NAG B 2 7.596 7.796 -2.100 1.00 15.00 B C +ATOM 1278 H1 NAG B 2 8.230 6.916 -1.919 1.00 15.00 B H +ATOM 1279 C2 NAG B 2 6.721 7.559 -3.346 1.00 15.00 B C +ATOM 1280 H2 NAG B 2 6.042 8.419 -3.450 1.00 15.00 B H +ATOM 1281 N2 NAG B 2 5.914 6.342 -3.176 1.00 15.00 B N +ATOM 1282 HN2 NAG B 2 6.382 5.489 -3.054 1.00 15.00 B H +ATOM 1283 C7 NAG B 2 4.523 6.319 -3.175 1.00 15.00 B C +ATOM 1284 O7 NAG B 2 3.787 7.315 -3.317 1.00 15.00 B O +ATOM 1285 C8 NAG B 2 3.874 4.956 -2.984 1.00 15.00 B C +ATOM 1286 H81 NAG B 2 4.176 4.522 -2.021 1.00 15.00 B H +ATOM 1287 H82 NAG B 2 2.779 5.050 -3.000 1.00 15.00 B H +ATOM 1288 H83 NAG B 2 4.180 4.273 -3.789 1.00 15.00 B H +ATOM 1289 C3 NAG B 2 7.584 7.462 -4.619 1.00 15.00 B C +ATOM 1290 H3 NAG B 2 8.223 6.568 -4.558 1.00 15.00 B H +ATOM 1291 O3 NAG B 2 6.718 7.383 -5.768 1.00 15.00 B O +ATOM 1292 HO3 NAG B 2 6.161 6.604 -5.693 1.00 15.00 B H +ATOM 1293 C4 NAG B 2 8.467 8.714 -4.758 1.00 15.00 B C +ATOM 1294 H4 NAG B 2 7.809 9.592 -4.848 1.00 15.00 B H +ATOM 1295 O4 NAG B 2 9.308 8.600 -5.964 1.00 15.00 B O +ATOM 1296 C5 NAG B 2 9.369 8.895 -3.529 1.00 15.00 B C +ATOM 1297 H5 NAG B 2 10.024 8.018 -3.416 1.00 15.00 B H +ATOM 1298 O5 NAG B 2 8.477 8.958 -2.356 1.00 15.00 B O +ATOM 1299 C6 NAG B 2 10.203 10.183 -3.562 1.00 15.00 B C +ATOM 1300 H61 NAG B 2 9.524 11.040 -3.641 1.00 15.00 B H +ATOM 1301 H62 NAG B 2 10.862 10.173 -4.445 1.00 15.00 B H +ATOM 1302 O6 NAG B 2 10.982 10.266 -2.361 1.00 15.00 B O +ATOM 1303 HO6 NAG B 2 11.904 10.407 -2.589 1.00 15.00 B H +ATOM 1304 C1 NAG B 3 9.119 9.705 -6.918 1.00 15.00 B C +ATOM 1305 H1 NAG B 3 9.257 10.675 -6.418 1.00 15.00 B H +ATOM 1306 C2 NAG B 3 10.139 9.567 -8.063 1.00 15.00 B C +ATOM 1307 H2 NAG B 3 10.041 8.557 -8.489 1.00 15.00 B H +ATOM 1308 N2 NAG B 3 11.501 9.733 -7.539 1.00 15.00 B N +ATOM 1309 HN2 NAG B 3 12.089 8.955 -7.640 1.00 15.00 B H +ATOM 1310 C7 NAG B 3 12.101 10.860 -6.902 1.00 15.00 B C +ATOM 1311 O7 NAG B 3 11.531 11.943 -6.675 1.00 15.00 B O +ATOM 1312 C8 NAG B 3 13.552 10.697 -6.476 1.00 15.00 B C +ATOM 1313 H81 NAG B 3 14.184 10.482 -7.348 1.00 15.00 B H +ATOM 1314 H82 NAG B 3 13.647 9.869 -5.759 1.00 15.00 B H +ATOM 1315 H83 NAG B 3 13.914 11.618 -5.999 1.00 15.00 B H +ATOM 1316 C3 NAG B 3 9.860 10.598 -9.174 1.00 15.00 B C +ATOM 1317 H3 NAG B 3 10.037 11.610 -8.779 1.00 15.00 B H +ATOM 1318 O3 NAG B 3 10.738 10.335 -10.284 1.00 15.00 B O +ATOM 1319 HO3 NAG B 3 10.573 9.450 -10.617 1.00 15.00 B H +ATOM 1320 C4 NAG B 3 8.404 10.486 -9.658 1.00 15.00 B C +ATOM 1321 H4 NAG B 3 8.258 9.478 -10.078 1.00 15.00 B H +ATOM 1322 O4 NAG B 3 8.143 11.497 -10.702 1.00 15.00 B O +ATOM 1323 C5 NAG B 3 7.417 10.685 -8.499 1.00 15.00 B C +ATOM 1324 H5 NAG B 3 7.567 11.681 -8.053 1.00 15.00 B H +ATOM 1325 O5 NAG B 3 7.752 9.672 -7.480 1.00 15.00 B O +ATOM 1326 C6 NAG B 3 5.947 10.493 -8.889 1.00 15.00 B C +ATOM 1327 H61 NAG B 3 5.818 9.478 -9.284 1.00 15.00 B H +ATOM 1328 H62 NAG B 3 5.677 11.215 -9.677 1.00 15.00 B H +ATOM 1329 O6 NAG B 3 5.126 10.691 -7.729 1.00 15.00 B O +ATOM 1330 HO6 NAG B 3 5.362 10.045 -7.059 1.00 15.00 B H +ATOM 1331 C1 NAG B 4 7.702 10.910 -11.979 1.00 15.00 B C +ATOM 1332 H1 NAG B 4 6.853 10.231 -11.818 1.00 15.00 B H +ATOM 1333 C2 NAG B 4 7.291 12.020 -12.960 1.00 15.00 B C +ATOM 1334 H2 NAG B 4 8.139 12.712 -13.079 1.00 15.00 B H +ATOM 1335 N2 NAG B 4 6.140 12.754 -12.416 1.00 15.00 B N +ATOM 1336 HN2 NAG B 4 5.317 12.254 -12.233 1.00 15.00 B H +ATOM 1337 C7 NAG B 4 6.142 14.118 -12.138 1.00 15.00 B C +ATOM 1338 O7 NAG B 4 7.107 14.886 -12.314 1.00 15.00 B O +ATOM 1339 C8 NAG B 4 4.849 14.691 -11.579 1.00 15.00 B C +ATOM 1340 H81 NAG B 4 4.593 14.197 -10.630 1.00 15.00 B H +ATOM 1341 H82 NAG B 4 4.024 14.535 -12.288 1.00 15.00 B H +ATOM 1342 H83 NAG B 4 4.957 15.769 -11.395 1.00 15.00 B H +ATOM 1343 C3 NAG B 4 6.934 11.422 -14.338 1.00 15.00 B C +ATOM 1344 H3 NAG B 4 5.992 10.861 -14.245 1.00 15.00 B H +ATOM 1345 O3 NAG B 4 6.767 12.506 -15.273 1.00 15.00 B O +ATOM 1346 HO3 NAG B 4 7.592 12.990 -15.348 1.00 15.00 B H +ATOM 1347 C4 NAG B 4 8.032 10.483 -14.879 1.00 15.00 B C +ATOM 1348 H4 NAG B 4 8.906 11.082 -15.173 1.00 15.00 B H +ATOM 1349 O4 NAG B 4 7.502 9.785 -16.018 1.00 15.00 B O +ATOM 1350 HO4 NAG B 4 7.251 10.421 -16.693 1.00 15.00 B H +ATOM 1351 C5 NAG B 4 8.460 9.425 -13.843 1.00 15.00 B C +ATOM 1352 H5 NAG B 4 7.612 8.756 -13.634 1.00 15.00 B H +ATOM 1353 O5 NAG B 4 8.793 10.134 -12.595 1.00 15.00 B O +ATOM 1354 C6 NAG B 4 9.690 8.600 -14.241 1.00 15.00 B C +ATOM 1355 H61 NAG B 4 10.545 9.277 -14.359 1.00 15.00 B H +ATOM 1356 H62 NAG B 4 9.503 8.098 -15.204 1.00 15.00 B H +ATOM 1357 O6 NAG B 4 9.951 7.630 -13.216 1.00 15.00 B O +ATOM 1358 HO6 NAG B 4 10.450 6.899 -13.588 1.00 15.00 B H +END diff --git a/integration_tests/test_caprieval.py b/integration_tests/test_caprieval.py index 6764f5faf..ff06692f5 100644 --- a/integration_tests/test_caprieval.py +++ b/integration_tests/test_caprieval.py @@ -1,6 +1,7 @@ import math import shutil import tempfile +import random from pathlib import Path from typing import Union @@ -9,9 +10,11 @@ from haddock.libs.libontology import PDBFile from haddock.modules.analysis.caprieval import ( DEFAULT_CONFIG as DEFAULT_CAPRIEVAL_CONFIG, + capri, ) from haddock.modules.analysis.caprieval import HaddockModule as CaprievalModule -from tests import golden_data +from tests import golden_data as UNITTESTS_GOLDEN_DATA +from . import GOLDEN_DATA @pytest.fixture @@ -125,11 +128,11 @@ def __init__(self, path): def retrieve_models(self, individualize: bool = True): shutil.copy( - Path(golden_data, "protprot_complex_1.pdb"), + Path(UNITTESTS_GOLDEN_DATA, "protprot_complex_1.pdb"), Path(".", "protprot_complex_1.pdb"), ) shutil.copy( - Path(golden_data, "protprot_complex_2.pdb"), + Path(UNITTESTS_GOLDEN_DATA, "protprot_complex_2.pdb"), Path(".", "protprot_complex_2.pdb"), ) model_list = [ @@ -153,6 +156,24 @@ def output(self): return None +class MockPreviousIO_with_models_to_be_clustered: + def __init__(self, path): + self.path = path + + def retrieve_models(self, individualize: bool = True): + model_list = [] + for m in [f"rigidbody_{i}.pdb" for i in range(1, 11)]: + src = Path(GOLDEN_DATA, "models_for_clustering", m) + dst = Path(self.path, m) + shutil.copy(src, dst) + p = PDBFile(file_name=m, path=".", score=random.uniform(-100, 100)) + model_list.append(p) + return model_list + + def output(self): + return None + + def _cast_float_str_int(v: Union[int, str, float]) -> Union[int, str, float]: """Helper function to cast a value string to a float, int or str.""" try: @@ -209,11 +230,7 @@ def _check_capri_ss_tsv( ): """Helper function to check the content of the capri_ss.tsv file.""" with open(capri_file) as f: - lines = [ - _.strip().split("\t") - for _ in f.readlines() - if not _.startswith("#") - ] + lines = [_.strip().split("\t") for _ in f.readlines() if not _.startswith("#")] # Check the header expected_header_cols = list(expected_data[0].keys()) @@ -250,11 +267,7 @@ def _check_capri_clt_tsv( """Helper function to check the content of the capri_clt.tsv file.""" with open(capri_file) as f: # There are several `#` lines in the file, these are comments and can be ignored - lines = [ - _.strip().split("\t") - for _ in f.readlines() - if not _.startswith("#") - ] + lines = [_.strip().split("\t") for _ in f.readlines() if not _.startswith("#")] # Check header expected_header_cols = list(expected_data[0].keys()) @@ -284,6 +297,62 @@ def _check_capri_clt_tsv( _compare_polymorphic_data(expected_data, oberseved_data) +def _check_means_match( + capri_ss_f: Path, + capri_clt_f: Path, + target_metric: str, + top_n: int, +): + """Helper function to check if the means of `capri_ss` and `capri_clt` match""" + + # Read the `capri_ss.tsv` file + assert capri_ss_f.exists() + + assert capri_clt_f.exists() + + # find the column that contains the target metric + with open(capri_ss_f, "r") as fh: + capri_ss_l = fh.readlines() + + capri_ss_header = capri_ss_l[0].strip().split("\t") + capri_ss_data = capri_ss_l[1:] + try: + metric_idx = capri_ss_header.index(target_metric) + except ValueError: + # Metric not found + return + + assert metric_idx is not None + values: list[float] = [] + for entry in capri_ss_data: + data = entry.strip().split(sep="\t") + v = data[metric_idx] + ranking = int(data[2]) + if ranking <= top_n: + values.append(float(v) if v != "-" else float("nan")) + + # get the topX and calculate mean + mean_ss_v = sum(values[:top_n]) / float(top_n) + + with open(capri_clt_f, "r") as fh: + capri_clt_l = fh.readlines() + + # remove lines with comments + capri_clt_l = [line for line in capri_clt_l if "#" not in line] + + # find the metric index + capri_clt_header = capri_clt_l[0].strip().split("\t") + capri_clt_data = capri_clt_l[1].strip().split("\t") + for metric_idx, metric in enumerate(capri_clt_header): + if metric == target_metric: + break + + assert metric_idx is not None + mean_clt_v = float(capri_clt_data[metric_idx]) + + assert mean_clt_v == pytest.approx(mean_ss_v, 0.01), f"{target_metric} do not match" + + def evaluate_caprieval_execution( module: CaprievalModule, model_list, ss_data, clt_data ): @@ -341,3 +410,61 @@ def test_caprieval_nodebug( evaluate_caprieval_execution( caprieval_module, model_list, expected_ss_data, expected_clt_data ) + + +def test_ss_clt_relation_debug(caprieval_module): + """Check if the values in the ss.tsv match the ones in clt.tsv""" + + caprieval_module.previous_io = MockPreviousIO_with_models_to_be_clustered( + path=caprieval_module.path + ) + + caprieval_module.params["debug"] = True + caprieval_module.run() + + metrics_to_be_evaluated = [ + "score", + "irmsd", + "fnat", + "lrmsd", + "dockq", + "ilrmsd", + "rmsd", + ] + + for metric in metrics_to_be_evaluated: + _check_means_match( + capri_ss_f=Path(caprieval_module.path, "capri_ss.tsv"), + capri_clt_f=Path(caprieval_module.path, "capri_clt.tsv"), + target_metric=metric, + top_n=caprieval_module.params["clt_threshold"], + ) + + +def test_ss_clt_relation(caprieval_module): + """Check if the values in the ss.tsv match the ones in clt.tsv""" + + caprieval_module.previous_io = MockPreviousIO_with_models_to_be_clustered( + path=caprieval_module.path + ) + + caprieval_module.params["debug"] = False + caprieval_module.run() + + metrics_to_be_evaluated = [ + "score", + "irmsd", + "fnat", + "lrmsd", + "dockq", + "ilrmsd", + "rmsd", + ] + + for metric in metrics_to_be_evaluated: + _check_means_match( + capri_ss_f=Path(caprieval_module.path, "capri_ss.tsv"), + capri_clt_f=Path(caprieval_module.path, "capri_clt.tsv"), + target_metric=metric, + top_n=caprieval_module.params["clt_threshold"], + ) From 0268215706612b2973f191fc8d9454741d14e654 Mon Sep 17 00:00:00 2001 From: Rodrigo V Honorato Date: Wed, 9 Oct 2024 14:52:25 +0200 Subject: [PATCH 2/7] remove `debug` logic --- integration_tests/test_caprieval.py | 43 ----------------- .../modules/analysis/caprieval/__init__.py | 48 +++++-------------- 2 files changed, 12 insertions(+), 79 deletions(-) diff --git a/integration_tests/test_caprieval.py b/integration_tests/test_caprieval.py index ff06692f5..8b20f21f7 100644 --- a/integration_tests/test_caprieval.py +++ b/integration_tests/test_caprieval.py @@ -399,48 +399,6 @@ def test_caprieval_default( ) -def test_caprieval_nodebug( - caprieval_module, model_list, expected_ss_data, expected_clt_data -): - caprieval_module.previous_io = MockPreviousIO(path=caprieval_module.path) - caprieval_module.params["debug"] = False - - caprieval_module.run() - - evaluate_caprieval_execution( - caprieval_module, model_list, expected_ss_data, expected_clt_data - ) - - -def test_ss_clt_relation_debug(caprieval_module): - """Check if the values in the ss.tsv match the ones in clt.tsv""" - - caprieval_module.previous_io = MockPreviousIO_with_models_to_be_clustered( - path=caprieval_module.path - ) - - caprieval_module.params["debug"] = True - caprieval_module.run() - - metrics_to_be_evaluated = [ - "score", - "irmsd", - "fnat", - "lrmsd", - "dockq", - "ilrmsd", - "rmsd", - ] - - for metric in metrics_to_be_evaluated: - _check_means_match( - capri_ss_f=Path(caprieval_module.path, "capri_ss.tsv"), - capri_clt_f=Path(caprieval_module.path, "capri_clt.tsv"), - target_metric=metric, - top_n=caprieval_module.params["clt_threshold"], - ) - - def test_ss_clt_relation(caprieval_module): """Check if the values in the ss.tsv match the ones in clt.tsv""" @@ -448,7 +406,6 @@ def test_ss_clt_relation(caprieval_module): path=caprieval_module.path ) - caprieval_module.params["debug"] = False caprieval_module.run() metrics_to_be_evaluated = [ diff --git a/src/haddock/modules/analysis/caprieval/__init__.py b/src/haddock/modules/analysis/caprieval/__init__.py index 894b8a906..8eb6814a4 100644 --- a/src/haddock/modules/analysis/caprieval/__init__.py +++ b/src/haddock/modules/analysis/caprieval/__init__.py @@ -35,7 +35,7 @@ BaseHaddockModule, get_engine, get_module_steps_folders, - ) +) from haddock.modules.analysis import get_analysis_exec_mode from haddock.modules.analysis.caprieval.capri import ( CAPRI, @@ -109,11 +109,6 @@ def _run(self) -> None: ) reference = best_model_fname - exec_mode = get_analysis_exec_mode(self.params["mode"]) - Engine = get_engine(exec_mode, self.params) - - _less_io = self.params["mode"] == "local" and not self.params["debug"] - # Each model is a job; this is not the most efficient way # but by assigning each model to an individual job # we can handle scenarios in which the models are hetergoneous @@ -128,45 +123,26 @@ def _run(self) -> None: ) jobs.append( CAPRI( - identificator=str(i), + identificator=i, model=model_to_be_evaluated, path=Path("."), reference=reference, params=self.params, - debug=not _less_io, ) ) - engine = Engine(jobs) + engine = Scheduler( + tasks=jobs, ncores=self.params["ncores"], max_cpus=self.params["max_cpus"] + ) engine.run() + jobs = engine.results - if _less_io and isinstance(engine, Scheduler): - jobs = engine.results - extract_data_from_capri_class( - capri_objects=jobs, - output_fname=Path(".", "capri_ss.tsv"), - sort_key=self.params["sortby"], - sort_ascending=self.params["sort_ascending"], - ) - - else: - self.log( - msg=( - "DEPRECATION NOTICE: This execution mode (debug=True) " - "will no longer be supported in the next version." - ), - level="warning", - ) - jobs = merge_data(jobs) - - # Each job created one .tsv, unify them: - rearrange_ss_capri_output( - output_name="capri_ss.tsv", - output_count=len(jobs), - sort_key=self.params["sortby"], - sort_ascending=self.params["sort_ascending"], - path=Path("."), - ) + extract_data_from_capri_class( + capri_objects=jobs, + output_fname=Path(".", "capri_ss.tsv"), + sort_key=self.params["sortby"], + sort_ascending=self.params["sort_ascending"], + ) capri_cluster_analysis( capri_list=jobs, From 10bdd0bc2a7e09d3a49c957625dc1cdf27bbfe21 Mon Sep 17 00:00:00 2001 From: Rodrigo V Honorato Date: Wed, 9 Oct 2024 14:54:21 +0200 Subject: [PATCH 3/7] change `CAPRI` identificator type to `int` --- .../modules/analysis/caprieval/capri.py | 30 +++++++++++-------- 1 file changed, 17 insertions(+), 13 deletions(-) diff --git a/src/haddock/modules/analysis/caprieval/capri.py b/src/haddock/modules/analysis/caprieval/capri.py index 47b8f85b0..590b78fe3 100644 --- a/src/haddock/modules/analysis/caprieval/capri.py +++ b/src/haddock/modules/analysis/caprieval/capri.py @@ -174,7 +174,7 @@ class CAPRI: def __init__( self, - identificator: str, + identificator: int, model: PDBPath, path: Path, reference: PDBPath, @@ -186,7 +186,7 @@ def __init__( Parameters ---------- - identificator : str + identificator : int The identificator of the object. model : PosixPath or :py:class:`haddock.libs.libontology.PDBFile` The model to be evaluated. @@ -508,7 +508,7 @@ def calc_fnat(self, cutoff: float = 5.0) -> None: self.fnat = len(intersection) / float(len(ref_contacts)) else: log.warning("No reference contacts found") - + def calc_global_rmsd(self) -> None: """Calculate the full structure RMSD.""" # Load reference atomic coordinates @@ -520,7 +520,7 @@ def calc_global_rmsd(self) -> None: self.atoms, numbering_dic=self.model2ref_numbering, model2ref_chain_dict=self.model2ref_chain_dict, - ) + ) except ALIGNError as alignerror: log.warning(alignerror) return @@ -649,7 +649,7 @@ def run(self) -> Union[None, "CAPRI"]: if self.params["dockq"]: log.debug(f"id {self.identificator}, calculating DockQ metric") self.calc_dockq() - + if self.params["global_rmsd"]: log.debug(f"id {self.identificator}, calculating global RMSD") self.calc_global_rmsd() @@ -756,7 +756,14 @@ def add_chain_from_segid(pdb_path: PDBPath) -> Path: def merge_data(capri_jobs: list[CAPRI]) -> list[CAPRI]: """Merge CAPRI data.""" # Set of attributes/keys we want to extract - target_keys = ("irmsd", "fnat", "ilrmsd", "lrmsd", "dockq", "rmsd", ) + target_keys = ( + "irmsd", + "fnat", + "ilrmsd", + "lrmsd", + "dockq", + "rmsd", + ) # Initiate holder capri_dic: dict[str, dict[str, float]] = {} # Loop over jobs ids @@ -773,9 +780,8 @@ def merge_data(capri_jobs: list[CAPRI]) -> list[CAPRI]: model_name = Path(content_data[header_data.index("model")]).name # Gather data for this model capri_dic[model_name] = { - key: float(content_data[header_data.index(key)]) - for key in target_keys - } + key: float(content_data[header_data.index(key)]) for key in target_keys + } for j in capri_jobs: for m in capri_dic: @@ -784,7 +790,7 @@ def merge_data(capri_jobs: list[CAPRI]) -> list[CAPRI]: if m == file_name: # add the data for target_key in target_keys: - # Set a new target_key attribute to object with capri_dic[m][target_key] value + # Set a new target_key attribute to object with capri_dic[m][target_key] value j.__setattr__(target_key, capri_dic[m][target_key]) return capri_jobs @@ -995,9 +1001,7 @@ def calc_stats(data: list) -> tuple[float, float]: # Define dict types -CltData = dict[ - tuple[Optional[int], Union[int, str, None]], list[tuple[CAPRI, PDBFile]] -] +CltData = dict[tuple[Optional[int], Union[int, str, None]], list[tuple[CAPRI, PDBFile]]] def capri_cluster_analysis( From c8f06c2b2e3feb701ab22fd7720e3ea480553f84 Mon Sep 17 00:00:00 2001 From: Rodrigo V Honorato Date: Wed, 9 Oct 2024 15:14:03 +0200 Subject: [PATCH 4/7] sort retrieved jobs by identificator --- src/haddock/modules/analysis/caprieval/__init__.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/src/haddock/modules/analysis/caprieval/__init__.py b/src/haddock/modules/analysis/caprieval/__init__.py index 8eb6814a4..491443d84 100644 --- a/src/haddock/modules/analysis/caprieval/__init__.py +++ b/src/haddock/modules/analysis/caprieval/__init__.py @@ -135,7 +135,9 @@ def _run(self) -> None: tasks=jobs, ncores=self.params["ncores"], max_cpus=self.params["max_cpus"] ) engine.run() + jobs = engine.results + jobs = sorted(jobs, key=lambda capri: capri.identificator) extract_data_from_capri_class( capri_objects=jobs, From fcb9aeb038403831ffdee3a60a02d9ea35b44a14 Mon Sep 17 00:00:00 2001 From: Rodrigo V Honorato Date: Wed, 9 Oct 2024 15:33:29 +0200 Subject: [PATCH 5/7] remove dead code --- .../modules/analysis/caprieval/__init__.py | 15 +- .../modules/analysis/caprieval/capri.py | 132 +----------------- tests/test_module_caprieval.py | 28 +--- 3 files changed, 8 insertions(+), 167 deletions(-) diff --git a/src/haddock/modules/analysis/caprieval/__init__.py b/src/haddock/modules/analysis/caprieval/__init__.py index 491443d84..35f42b99a 100644 --- a/src/haddock/modules/analysis/caprieval/__init__.py +++ b/src/haddock/modules/analysis/caprieval/__init__.py @@ -28,23 +28,16 @@ from pathlib import Path from haddock.core.defaults import MODULE_DEFAULT_YAML -from haddock.core.typing import Any, FilePath, Union +from haddock.core.typing import FilePath, Union from haddock.libs.libontology import PDBFile from haddock.libs.libparallel import Scheduler -from haddock.modules import ( - BaseHaddockModule, - get_engine, - get_module_steps_folders, -) -from haddock.modules.analysis import get_analysis_exec_mode +from haddock.modules import BaseHaddockModule from haddock.modules.analysis.caprieval.capri import ( CAPRI, capri_cluster_analysis, dump_weights, extract_data_from_capri_class, - merge_data, - rearrange_ss_capri_output, -) + ) RECIPE_PATH = Path(__file__).resolve().parent @@ -60,9 +53,7 @@ def __init__( self, order: int, path: Path, - *ignore: Any, init_params: FilePath = DEFAULT_CONFIG, - **everything: Any, ) -> None: super().__init__(order, path, init_params) diff --git a/src/haddock/modules/analysis/caprieval/capri.py b/src/haddock/modules/analysis/caprieval/capri.py index 590b78fe3..a0fad9e8f 100644 --- a/src/haddock/modules/analysis/caprieval/capri.py +++ b/src/haddock/modules/analysis/caprieval/capri.py @@ -1,6 +1,7 @@ """CAPRI module.""" import copy +import json import os import shutil import tempfile @@ -26,8 +27,8 @@ ParamDict, ParamMap, Union, - Type, -) + ) +from haddock.gear.config import load as read_config from haddock.libs.libalign import ( ALIGNError, calc_rmsd, @@ -38,16 +39,13 @@ kabsch, load_coords, make_range, -) + ) from haddock.libs.libio import write_dic_to_file, write_nested_dic_to_file from haddock.libs.libontology import PDBFile, PDBPath from haddock.modules import get_module_steps_folders WEIGHTS = ["w_elec", "w_vdw", "w_desolv", "w_bsa", "w_air"] -import json - -from haddock.gear.config import load as read_config def get_previous_cns_step(sel_steps: list, st_order: int) -> Union[str, None]: @@ -753,128 +751,6 @@ def add_chain_from_segid(pdb_path: PDBPath) -> Path: return new_pdb_path -def merge_data(capri_jobs: list[CAPRI]) -> list[CAPRI]: - """Merge CAPRI data.""" - # Set of attributes/keys we want to extract - target_keys = ( - "irmsd", - "fnat", - "ilrmsd", - "lrmsd", - "dockq", - "rmsd", - ) - # Initiate holder - capri_dic: dict[str, dict[str, float]] = {} - # Loop over jobs ids - for ident in range(1, len(capri_jobs) + 1): - # Point tsv file - out_file = Path(f"capri_ss_{ident}.tsv") - if not out_file.exists(): - continue - # Read it - header, content = out_file.read_text().split(os.linesep, 1) - header_data = header.split("\t") - content_data = content.split("\t") - # Find model name - model_name = Path(content_data[header_data.index("model")]).name - # Gather data for this model - capri_dic[model_name] = { - key: float(content_data[header_data.index(key)]) for key in target_keys - } - - for j in capri_jobs: - for m in capri_dic: - jm = j.model - file_name = jm.name if isinstance(jm, Path) else jm.file_name - if m == file_name: - # add the data - for target_key in target_keys: - # Set a new target_key attribute to object with capri_dic[m][target_key] value - j.__setattr__(target_key, capri_dic[m][target_key]) - - return capri_jobs - - -def rearrange_ss_capri_output( - output_name: str, - output_count: int, - sort_key: str, - sort_ascending: bool, - path: FilePath, -) -> None: - """Combine different capri outputs in a single file. - - Parameters - ---------- - output_name : str - Name of the output file. - output_count : int - Number of output files to combine. - sort_key : str - Key to sort the output files. - path : Path - Path to the output directory. - """ - # this would be easier and more readable with pandas (: - output_fname = Path(path, output_name) - log.info(f"Rearranging output files into {output_fname}") - keyword = output_name.split(".")[0] - split_dict = { - "capri_ss": "model-cluster_ranking", - "capri_clt": "caprieval_rank", - } - if keyword not in split_dict.keys(): - raise Exception(f"Keyword {keyword} does not exist.") - - # Load the information of each intermediate file - data: dict[int, ParamDict] = {} - for ident in range(1, output_count + 1): - out_file = Path(path, f"{keyword}_{ident}.tsv") - - # raise a warning if file does not exist. - if not out_file.exists(): - log.warning( - ( - f"Output file {out_file} does not exist. " - "Caprieval will not be exhaustive..." - ) - ) - continue - - data[ident] = {} - header, content = out_file.read_text().split(os.linesep, 1) - - header_data = header.split("\t") - content_data = content.split("\t") - - # find out the data type of each field - value: Union[float, str] - for key, value in zip(header_data, content_data): - try: - value = int(value) - except ValueError: - try: - value = float(value) - except ValueError: - value = str(value).strip(os.linesep) - data[ident][key] = value - - out_file.unlink() - - ranked_data = rank_according_to_score( - data, sort_key=sort_key, sort_ascending=sort_ascending - ) - - data = ranked_data - - if not data: - # This means no files have been collected - return - else: - write_nested_dic_to_file(data, output_name) - - def rank_according_to_score( data: dict[int, ParamDict], sort_key: str, sort_ascending: bool ) -> dict[int, ParamDict]: diff --git a/tests/test_module_caprieval.py b/tests/test_module_caprieval.py index 88e0b8227..d87e642e0 100644 --- a/tests/test_module_caprieval.py +++ b/tests/test_module_caprieval.py @@ -19,8 +19,7 @@ get_previous_cns_step, load_contacts, rank_according_to_score, - rearrange_ss_capri_output, - ) +) from . import golden_data @@ -608,31 +607,6 @@ def test_add_chain_from_segid(protprot_caprimodule): assert line[21] == "A" -def test_rearrange_ss_capri_output(): - """Test rearranging the capri output.""" - with tempfile.TemporaryDirectory() as tempdir: - os.chdir(tempdir) - with open("capri_ss_1.tsv", "w", encoding="utf-8") as fh: - fh.write( - "model caprieval_rank score irmsd fnat lrmsd ilrmsd " - "dockq cluster_id cluster_ranking " - "model-cluster_ranking" + os.linesep - ) - fh.write( - "../1_emscoring/emscoring_909.pdb 1 -424.751 0.000 " - "1.000 0.000 0.000 1.000 - - -" + os.linesep - ) - rearrange_ss_capri_output( - "capri_ss.txt", - output_count=1, - sort_key="score", - sort_ascending=True, - path=Path("."), - ) - - assert Path("capri_ss.txt").stat().st_size != 0 - - def test_calc_stats(): """Test the calculation of statistics.""" observed_mean, observed_std = calc_stats([2, 2, 4, 5]) From 0cb418d5b675f2f954966e8749388031c50f335a Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 10 Oct 2024 12:32:51 +0200 Subject: [PATCH 6/7] remove more dead code --- .../modules/analysis/caprieval/capri.py | 44 +------------------ 1 file changed, 2 insertions(+), 42 deletions(-) diff --git a/src/haddock/modules/analysis/caprieval/capri.py b/src/haddock/modules/analysis/caprieval/capri.py index a0fad9e8f..aaedff145 100644 --- a/src/haddock/modules/analysis/caprieval/capri.py +++ b/src/haddock/modules/analysis/caprieval/capri.py @@ -177,7 +177,6 @@ def __init__( path: Path, reference: PDBPath, params: ParamMap, - debug: Optional[bool] = False, ) -> None: """ Initialize the class. @@ -223,7 +222,6 @@ def __init__( self.output = self.output_ss_fname self.identificator = identificator self.core_model_idx = identificator - self.debug = debug def calc_irmsd(self, cutoff: float = 5.0) -> None: """Calculate the I-RMSD. @@ -569,40 +567,6 @@ def has_cluster_info(self) -> bool: has_cluster_info = True return has_cluster_info - def make_output(self) -> None: - """Output the CAPRI results to a .tsv file.""" - data = {} - # keep always "model" the first key - data["model"] = self.model - data["md5"] = self.model.md5 - # create the empty rank here so that it will appear - # as the second column - data["caprieval_rank"] = None - data["score"] = self.model.score - data["irmsd"] = self.irmsd - data["fnat"] = self.fnat - data["lrmsd"] = self.lrmsd - data["ilrmsd"] = self.ilrmsd - data["dockq"] = self.dockq - data["rmsd"] = self.rmsd - - if self.has_cluster_info(): - data["cluster_id"] = self.model.clt_id - data["cluster_ranking"] = self.model.clt_rank - data["model-cluster_ranking"] = self.model.clt_model_rank - else: - data["cluster_id"] = None - data["cluster_ranking"] = None - data["model-cluster_ranking"] = None - - # energies - if self.model.unw_energies: - for key in self.model.unw_energies: - data[key] = self.model.unw_energies[key] - - output_fname = Path(self.path, self.output_ss_fname) - - write_dic_to_file(data, output_fname) def run(self) -> Union[None, "CAPRI"]: """Get the CAPRI metrics.""" @@ -652,12 +616,8 @@ def run(self) -> Union[None, "CAPRI"]: log.debug(f"id {self.identificator}, calculating global RMSD") self.calc_global_rmsd() - if self.debug: - self.make_output() - else: - # The scheduler will use the return of the `run` method as the output of the tasks - # Here to avoid writing a file, return a copy of this instance - return copy.deepcopy(self) + # The scheduler will use the return of the `run` method as the output of the tasks + return copy.deepcopy(self) @staticmethod def _load_atoms( From e69d0a06ebf184eb2a1a72eb45a50191ef6ff9ba Mon Sep 17 00:00:00 2001 From: "Rodrigo V. Honorato" Date: Thu, 10 Oct 2024 13:13:49 +0200 Subject: [PATCH 7/7] remove dead tests --- tests/test_module_caprieval.py | 55 ---------------------------------- 1 file changed, 55 deletions(-) diff --git a/tests/test_module_caprieval.py b/tests/test_module_caprieval.py index d87e642e0..d4e9adb55 100644 --- a/tests/test_module_caprieval.py +++ b/tests/test_module_caprieval.py @@ -441,60 +441,6 @@ def test_protdna_allatoms(protdna_caprimodule): assert np.isclose(protdna_caprimodule.fnat, 0.4878, atol=0.01) -def test_make_output(protprot_caprimodule): - """Test the writing of capri.tsv file.""" - protprot_caprimodule.model.clt_id = 1 - protprot_caprimodule.model.clt_rank = 1 - protprot_caprimodule.model.clt_model_rank = 10 - protprot_caprimodule.model.unw_energies = {"something": 0.0} - - protprot_caprimodule.make_output() - - ss_fname = Path( - protprot_caprimodule.path, f"capri_ss_{protprot_caprimodule.identificator}.tsv" - ) - # Check that the file contains something - assert ss_fname.stat().st_size != 0 - - # remove the model column since its name will depend on where we are running - # the test - observed_outf_l = read_capri_file(ss_fname) - expected_outf_l = [ - [ - "md5", - "caprieval_rank", - "score", - "irmsd", - "fnat", - "lrmsd", - "ilrmsd", - "dockq", - "rmsd", - "cluster_id", - "cluster_ranking", - "model-cluster_ranking", - "something", - ], - [ - "-", - "-", - "nan", - "nan", - "nan", - "nan", - "nan", - "nan", - "nan", - "1", - "1", - "10", - "0.000", - ], - ] - - assert observed_outf_l == expected_outf_l - - os.unlink(ss_fname) def test_identify_protprotinterface(protprot_caprimodule, protprot_input_list): @@ -911,7 +857,6 @@ def test_capri_run(mocker): side_effect=lambda: setattr(capri, "rmsd", rand_global_rmsd), ) - mocker.patch.object(capri, "make_output") capri.run()