HETATM 1 C ACE A 3 1.725 -3.735 2.684 1.00 1.42 C HETATM 2 O ACE A 3 1.093 -4.104 1.697 1.00 25.23 O HETATM 3 CH3 ACE A 3 2.740 -4.653 3.336 1.00 11.32 C HETATM 4 H1 ACE A 3 2.833 -5.592 2.761 1.00 11.05 H HETATM 5 H2 ACE A 3 3.742 -4.188 3.374 1.00 31.00 H HETATM 6 H3 ACE A 3 2.436 -4.922 4.363 1.00 0.00 H HETATM 7 N NLE A 4 1.574 -2.539 3.253 1.00 24.32 N HETATM 8 CA NLE A 4 0.620 -1.516 2.741 1.00 22.54 C HETATM 9 C NLE A 4 1.371 -0.201 2.377 1.00 51.12 C HETATM 10 O NLE A 4 1.971 0.462 3.230 1.00 4.44 O HETATM 11 CB NLE A 4 -0.481 -1.302 3.799 1.00 51.41 C HETATM 12 CG NLE A 4 -1.741 -0.566 3.299 1.00 53.53 C HETATM 13 CD NLE A 4 -2.861 -0.460 4.349 1.00 13.25 C HETATM 14 CE NLE A 4 -2.576 0.570 5.455 1.00 21.12 C HETATM 15 H NLE A 4 2.148 -2.383 4.086 1.00 73.41 H HETATM 16 HA NLE A 4 0.107 -1.908 1.840 1.00 13.34 H HETATM 17 HB2 NLE A 4 -0.046 -0.764 4.658 1.00 12.25 H HETATM 18 HB3 NLE A 4 -0.796 -2.284 4.179 1.00 64.43 H HETATM 19 HG2 NLE A 4 -2.144 -1.073 2.400 1.00 24.40 H HETATM 20 HG3 NLE A 4 -1.466 0.441 2.952 1.00 61.35 H HETATM 21 HD2 NLE A 4 -3.062 -1.453 4.795 1.00 34.12 H HETATM 22 HD3 NLE A 4 -3.799 -0.175 3.839 1.00 2.42 H HETATM 23 HE1 NLE A 4 -1.681 0.305 6.047 1.00 35.54 H HETATM 24 HE2 NLE A 4 -2.410 1.583 5.039 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.422 0.643 6.163 1.00 14.24 H ATOM 26 N ASP A 5 1.321 0.160 1.093 1.00 42.23 N ATOM 27 CA ASP A 5 2.164 1.248 0.518 1.00 14.33 C ATOM 28 C ASP A 5 1.308 2.463 0.003 1.00 70.04 C ATOM 29 O ASP A 5 0.363 2.223 -0.762 1.00 71.01 O ATOM 30 CB ASP A 5 2.996 0.690 -0.662 1.00 73.01 C ATOM 31 CG ASP A 5 4.033 -0.397 -0.346 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.780 -0.297 0.628 1.00 41.31 O ATOM 33 H ASP A 5 0.743 -0.479 0.533 1.00 62.10 H ATOM 34 HA ASP A 5 2.897 1.596 1.271 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.302 0.360 -1.454 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.553 1.525 -1.116 1.00 72.20 H ATOM 37 N PRO A 6 1.612 3.762 0.317 1.00 64.04 N ATOM 38 CA PRO A 6 0.894 4.932 -0.266 1.00 44.43 C ATOM 39 C PRO A 6 0.804 5.030 -1.836 1.00 31.44 C ATOM 40 O PRO A 6 1.811 4.733 -2.492 1.00 1.02 O ATOM 41 CB PRO A 6 1.671 6.127 0.322 1.00 53.11 C ATOM 42 CG PRO A 6 2.263 5.621 1.635 1.00 4.15 C ATOM 43 CD PRO A 6 2.576 4.148 1.367 1.00 41.55 C ATOM 44 HA PRO A 6 -0.120 4.910 0.173 1.00 15.04 H ATOM 45 HB2 PRO A 6 2.497 6.436 -0.351 1.00 0.00 H ATOM 46 HB3 PRO A 6 1.029 7.017 0.465 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.156 6.193 1.949 1.00 0.00 H ATOM 48 HG3 PRO A 6 1.519 5.718 2.447 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.613 4.016 1.004 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.457 3.553 2.295 1.00 72.34 H ATOM 51 N PRO A 7 -0.335 5.423 -2.485 1.00 22.14 N ATOM 52 CA PRO A 7 -1.573 5.927 -1.808 1.00 10.30 C ATOM 53 C PRO A 7 -2.611 4.893 -1.234 1.00 31.43 C ATOM 54 O PRO A 7 -3.749 5.273 -0.945 1.00 11.54 O ATOM 55 CB PRO A 7 -2.159 6.797 -2.943 1.00 73.35 C ATOM 56 CG PRO A 7 -1.782 6.077 -4.239 1.00 73.14 C ATOM 57 CD PRO A 7 -0.377 5.549 -3.957 1.00 50.35 C ATOM 58 HA PRO A 7 -1.312 6.602 -0.969 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.251 6.964 -2.856 1.00 0.00 H ATOM 60 HB3 PRO A 7 -1.698 7.804 -2.924 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.477 5.236 -4.427 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.820 6.737 -5.126 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.188 4.581 -4.462 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.395 6.262 -4.308 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.225 3.625 -1.014 1.00 55.11 N HETATM 66 CA 4J2 A 8 -3.077 2.588 -0.369 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.502 2.175 1.018 1.00 10.34 C HETATM 68 CG 4J2 A 8 -2.123 3.245 2.052 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.900 3.160 2.710 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -2.975 4.310 2.314 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.495 4.139 3.606 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -1.311 5.245 3.839 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -0.896 6.281 4.674 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.724 7.381 4.884 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.590 5.331 3.185 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -3.399 6.443 3.414 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -2.966 7.460 4.261 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.261 1.317 -1.257 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.469 4.041 4.086 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.377 0.813 -1.390 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.363 6.536 2.932 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.597 8.321 4.430 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.220 3.451 -1.135 1.00 71.33 H HETATM 84 HA 4J2 A 8 -4.085 2.987 -0.167 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -3.236 1.509 1.495 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.625 1.530 0.846 1.00 60.00 H HETATM 87 HD1 4J2 A 8 -0.247 2.333 2.488 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -3.905 4.321 1.771 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.077 6.246 5.146 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -1.395 8.183 5.531 1.00 0.00 H ATOM 91 N ARG A 9 -2.153 0.754 -1.781 1.00 0.00 N ATOM 92 CA ARG A 9 -2.110 -0.637 -2.294 1.00 0.00 C ATOM 93 C ARG A 9 -1.709 -1.663 -1.185 1.00 0.00 C ATOM 94 O ARG A 9 -0.897 -1.366 -0.301 1.00 0.00 O ATOM 95 CB ARG A 9 -1.160 -0.703 -3.520 1.00 0.00 C ATOM 96 CG ARG A 9 0.353 -0.459 -3.276 1.00 0.00 C ATOM 97 CD ARG A 9 1.226 -0.749 -4.505 1.00 0.00 C ATOM 98 NE ARG A 9 2.656 -0.581 -4.136 1.00 0.00 N ATOM 99 CZ ARG A 9 3.687 -0.730 -4.967 1.00 0.00 C ATOM 100 NH1 ARG A 9 3.575 -1.059 -6.227 1.00 0.00 N ATOM 101 NH2 ARG A 9 4.875 -0.535 -4.491 1.00 0.00 N ATOM 102 H ARG A 9 -1.295 1.274 -1.556 1.00 0.00 H ATOM 103 HA ARG A 9 -3.120 -0.908 -2.668 1.00 0.00 H ATOM 104 HB2 ARG A 9 -1.283 -1.702 -3.971 1.00 0.00 H ATOM 105 HB3 ARG A 9 -1.532 -0.003 -4.290 1.00 0.00 H ATOM 106 HG2 ARG A 9 0.515 0.586 -2.945 1.00 0.00 H ATOM 107 HG3 ARG A 9 0.701 -1.092 -2.438 1.00 0.00 H ATOM 108 HD2 ARG A 9 1.047 -1.781 -4.867 1.00 0.00 H ATOM 109 HD3 ARG A 9 0.955 -0.065 -5.334 1.00 0.00 H ATOM 110 HH11 ARG A 9 2.611 -1.194 -6.536 1.00 0.00 H ATOM 111 HH12 ARG A 9 4.438 -1.140 -6.768 1.00 0.00 H ATOM 112 HH21 ARG A 9 4.875 -0.270 -3.504 1.00 0.00 H ATOM 113 HH22 ARG A 9 5.664 -0.638 -5.131 1.00 0.00 H ATOM 114 N TRP A 10 -2.237 -2.893 -1.284 1.00 0.00 N ATOM 115 CA TRP A 10 -1.814 -4.023 -0.423 1.00 0.00 C ATOM 116 C TRP A 10 -0.943 -5.027 -1.244 1.00 0.00 C ATOM 117 O TRP A 10 -1.359 -5.582 -2.265 1.00 0.00 O ATOM 118 CB TRP A 10 -3.087 -4.657 0.183 1.00 0.00 C ATOM 119 CG TRP A 10 -2.837 -5.876 1.076 1.00 0.00 C ATOM 120 CD1 TRP A 10 -2.975 -7.209 0.653 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.302 -5.935 2.347 1.00 0.00 C ATOM 122 NE1 TRP A 10 -2.540 -8.119 1.640 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.120 -7.301 2.679 1.00 0.00 C ATOM 124 CE3 TRP A 10 -1.898 -4.915 3.241 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -1.525 -7.654 3.914 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -1.320 -5.287 4.455 1.00 0.00 C ATOM 127 CH2 TRP A 10 -1.135 -6.636 4.787 1.00 0.00 C ATOM 128 H TRP A 10 -2.790 -3.068 -2.128 1.00 0.00 H ATOM 129 HA TRP A 10 -1.230 -3.644 0.443 1.00 0.00 H ATOM 130 HB2 TRP A 10 -3.624 -3.895 0.772 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.775 -4.942 -0.632 1.00 0.00 H ATOM 132 HD1 TRP A 10 -3.304 -7.468 -0.344 1.00 0.00 H ATOM 133 HE1 TRP A 10 -2.535 -9.144 1.606 1.00 0.00 H ATOM 134 HE3 TRP A 10 -2.027 -3.876 2.978 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -1.369 -8.691 4.172 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -1.005 -4.520 5.149 1.00 0.00 H ATOM 137 HH2 TRP A 10 -0.678 -6.892 5.732 1.00 0.00 H ATOM 138 N LYS A 11 0.252 -5.280 -0.714 1.00 74.43 N ATOM 139 CA LYS A 11 1.224 -6.265 -1.245 1.00 4.20 C ATOM 140 C LYS A 11 1.631 -7.303 -0.147 1.00 11.04 C ATOM 141 O LYS A 11 2.736 -7.331 0.390 1.00 35.41 O ATOM 142 CB LYS A 11 2.401 -5.477 -1.885 1.00 41.10 C ATOM 143 CG LYS A 11 3.170 -4.451 -1.015 1.00 44.10 C ATOM 144 CD LYS A 11 4.367 -3.810 -1.753 1.00 33.11 C ATOM 145 CE LYS A 11 4.959 -2.583 -1.031 1.00 70.12 C ATOM 146 NZ LYS A 11 4.066 -1.417 -1.204 1.00 43.51 N ATOM 147 H LYS A 11 0.494 -4.681 0.087 1.00 20.44 H ATOM 148 HA LYS A 11 0.767 -6.856 -2.064 1.00 50.52 H ATOM 149 HB2 LYS A 11 3.117 -6.218 -2.270 1.00 0.00 H ATOM 150 HB3 LYS A 11 2.011 -4.951 -2.778 1.00 63.23 H ATOM 151 HG2 LYS A 11 2.466 -3.659 -0.692 1.00 0.00 H ATOM 152 HG3 LYS A 11 3.519 -4.923 -0.077 1.00 60.25 H ATOM 153 HD2 LYS A 11 5.159 -4.574 -1.871 1.00 0.00 H ATOM 154 HD3 LYS A 11 4.085 -3.533 -2.789 1.00 13.13 H ATOM 155 HE2 LYS A 11 5.135 -2.814 0.040 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.954 -2.343 -1.453 1.00 35.55 H ATOM 157 HZ1 LYS A 11 3.406 -1.337 -1.988 1.00 44.51 H HETATM 158 N NH2 A 12 0.765 -8.224 0.232 1.00 24.35 N HETATM 159 HN1 NH2 A 12 -0.212 -8.060 -0.034 1.00 71.12 H HETATM 160 HN2 NH2 A 12 1.107 -8.787 1.016 1.00 14.20 H TER 161 NH2 A 12