HETATM 1 C ACE A 3 2.730 -3.958 0.685 1.00 1.42 C HETATM 2 O ACE A 3 1.649 -4.070 0.109 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.682 -5.134 0.772 1.00 11.32 C HETATM 4 H1 ACE A 3 3.227 -6.034 0.321 1.00 11.05 H HETATM 5 H2 ACE A 3 4.623 -4.931 0.232 1.00 31.00 H HETATM 6 H3 ACE A 3 3.926 -5.384 1.821 1.00 0.00 H HETATM 7 N NLE A 4 3.154 -2.837 1.267 1.00 24.32 N HETATM 8 CA NLE A 4 2.331 -1.601 1.354 1.00 22.54 C HETATM 9 C NLE A 4 3.108 -0.380 0.769 1.00 51.12 C HETATM 10 O NLE A 4 4.182 -0.005 1.250 1.00 4.44 O HETATM 11 CB NLE A 4 1.966 -1.335 2.836 1.00 51.41 C HETATM 12 CG NLE A 4 0.892 -2.268 3.436 1.00 53.53 C HETATM 13 CD NLE A 4 0.593 -1.957 4.911 1.00 13.25 C HETATM 14 CE NLE A 4 -0.502 -2.872 5.478 1.00 21.12 C HETATM 15 H NLE A 4 4.045 -2.912 1.762 1.00 73.41 H HETATM 16 HA NLE A 4 1.378 -1.725 0.797 1.00 13.34 H HETATM 17 HB2 NLE A 4 1.608 -0.298 2.936 1.00 12.25 H HETATM 18 HB3 NLE A 4 2.889 -1.355 3.440 1.00 64.43 H HETATM 19 HG2 NLE A 4 1.218 -3.321 3.339 1.00 24.40 H HETATM 20 HG3 NLE A 4 -0.038 -2.185 2.841 1.00 61.35 H HETATM 21 HD2 NLE A 4 0.284 -0.900 5.025 1.00 34.12 H HETATM 22 HD3 NLE A 4 1.514 -2.063 5.517 1.00 2.42 H HETATM 23 HE1 NLE A 4 -0.214 -3.939 5.430 1.00 35.54 H HETATM 24 HE2 NLE A 4 -0.709 -2.639 6.539 1.00 13.20 H HETATM 25 HE3 NLE A 4 -1.456 -2.762 4.929 1.00 14.24 H ATOM 26 N ASP A 5 2.513 0.269 -0.238 1.00 42.23 N ATOM 27 CA ASP A 5 3.027 1.541 -0.817 1.00 14.33 C ATOM 28 C ASP A 5 2.269 2.786 -0.224 1.00 70.04 C ATOM 29 O ASP A 5 1.040 2.718 -0.109 1.00 71.01 O ATOM 30 CB ASP A 5 2.826 1.497 -2.354 1.00 73.01 C ATOM 31 CG ASP A 5 3.805 0.597 -3.115 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.958 0.980 -3.321 1.00 41.31 O ATOM 33 H ASP A 5 1.607 -0.130 -0.521 1.00 62.10 H ATOM 34 HA ASP A 5 4.111 1.635 -0.612 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.775 1.255 -2.602 1.00 0.00 H ATOM 36 HB3 ASP A 5 2.972 2.511 -2.761 1.00 72.20 H ATOM 37 N PRO A 6 2.902 3.946 0.121 1.00 64.04 N ATOM 38 CA PRO A 6 2.176 5.130 0.669 1.00 44.43 C ATOM 39 C PRO A 6 1.239 5.877 -0.360 1.00 31.44 C ATOM 40 O PRO A 6 1.669 6.052 -1.508 1.00 1.02 O ATOM 41 CB PRO A 6 3.347 5.999 1.172 1.00 53.11 C ATOM 42 CG PRO A 6 4.529 5.653 0.261 1.00 4.15 C ATOM 43 CD PRO A 6 4.355 4.162 -0.032 1.00 41.55 C ATOM 44 HA PRO A 6 1.602 4.808 1.552 1.00 15.04 H ATOM 45 HB2 PRO A 6 3.121 7.083 1.176 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.593 5.732 2.218 1.00 62.32 H ATOM 47 HG2 PRO A 6 4.462 6.233 -0.679 1.00 0.00 H ATOM 48 HG3 PRO A 6 5.508 5.887 0.718 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.717 3.911 -1.049 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.918 3.542 0.693 1.00 72.34 H ATOM 51 N PRO A 7 -0.009 6.353 -0.041 1.00 22.14 N ATOM 52 CA PRO A 7 -0.634 6.289 1.314 1.00 10.30 C ATOM 53 C PRO A 7 -1.554 5.039 1.548 1.00 31.43 C ATOM 54 O PRO A 7 -2.787 5.120 1.589 1.00 11.54 O ATOM 55 CB PRO A 7 -1.384 7.640 1.330 1.00 73.35 C ATOM 56 CG PRO A 7 -1.858 7.853 -0.110 1.00 73.14 C ATOM 57 CD PRO A 7 -0.730 7.265 -0.957 1.00 50.35 C ATOM 58 HA PRO A 7 0.116 6.327 2.126 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.214 7.672 2.060 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.690 8.455 1.621 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.801 7.302 -0.290 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.056 8.916 -0.343 1.00 23.41 H ATOM 63 HD2 PRO A 7 -1.109 6.736 -1.852 1.00 0.00 H ATOM 64 HD3 PRO A 7 -0.052 8.064 -1.311 1.00 41.43 H HETATM 65 N DPN A 8 -0.939 3.860 1.683 1.00 0.00 N HETATM 66 CA DPN A 8 -1.640 2.581 1.990 1.00 0.00 C HETATM 67 C DPN A 8 -2.345 1.921 0.758 1.00 0.00 C HETATM 68 O DPN A 8 -3.543 1.641 0.811 1.00 0.00 O HETATM 69 CB DPN A 8 -0.609 1.599 2.624 1.00 0.00 C HETATM 70 CG DPN A 8 0.024 2.004 3.966 1.00 0.00 C HETATM 71 CD1 DPN A 8 1.342 2.472 4.004 1.00 0.00 C HETATM 72 CD2 DPN A 8 -0.699 1.889 5.157 1.00 0.00 C HETATM 73 CE1 DPN A 8 1.927 2.823 5.218 1.00 0.00 C HETATM 74 CE2 DPN A 8 -0.111 2.240 6.371 1.00 0.00 C HETATM 75 CZ DPN A 8 1.201 2.705 6.401 1.00 0.00 C HETATM 76 H DPN A 8 0.033 3.846 1.357 1.00 0.00 H HETATM 77 HA DPN A 8 -2.431 2.769 2.744 1.00 0.00 H HETATM 78 HB2 DPN A 8 0.190 1.376 1.891 1.00 0.00 H HETATM 79 HB3 DPN A 8 -1.096 0.618 2.750 1.00 0.00 H HETATM 80 HD1 DPN A 8 1.920 2.561 3.094 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.717 1.523 5.147 1.00 0.00 H HETATM 82 HE1 DPN A 8 2.947 3.181 5.243 1.00 0.00 H HETATM 83 HE2 DPN A 8 -0.673 2.147 7.291 1.00 0.00 H HETATM 84 HZ DPN A 8 1.657 2.975 7.343 1.00 0.00 H ATOM 85 N ARG A 9 -1.600 1.662 -0.331 1.00 61.01 N ATOM 86 CA ARG A 9 -2.024 0.761 -1.429 1.00 53.23 C ATOM 87 C ARG A 9 -1.267 -0.598 -1.264 1.00 34.42 C ATOM 88 O ARG A 9 -0.046 -0.641 -1.075 1.00 75.42 O ATOM 89 CB ARG A 9 -1.692 1.394 -2.807 1.00 42.11 C ATOM 90 CG ARG A 9 -2.615 2.518 -3.352 1.00 51.03 C ATOM 91 CD ARG A 9 -2.362 3.957 -2.839 1.00 32.53 C ATOM 92 NE ARG A 9 -3.088 4.287 -1.578 1.00 61.34 N ATOM 93 CZ ARG A 9 -4.368 4.647 -1.475 1.00 21.04 C ATOM 94 NH1 ARG A 9 -5.175 4.753 -2.500 1.00 62.52 N ATOM 95 NH2 ARG A 9 -4.838 4.907 -0.292 1.00 5.43 N ATOM 96 H ARG A 9 -0.610 1.932 -0.226 1.00 0.22 H ATOM 97 HA ARG A 9 -3.119 0.586 -1.389 1.00 25.44 H ATOM 98 HB2 ARG A 9 -0.633 1.710 -2.829 1.00 0.00 H ATOM 99 HB3 ARG A 9 -1.734 0.577 -3.554 1.00 63.23 H ATOM 100 HG2 ARG A 9 -2.469 2.543 -4.450 1.00 0.00 H ATOM 101 HG3 ARG A 9 -3.678 2.230 -3.234 1.00 34.21 H ATOM 102 HD2 ARG A 9 -1.273 4.105 -2.677 1.00 0.00 H ATOM 103 HD3 ARG A 9 -2.602 4.695 -3.630 1.00 22.22 H ATOM 104 HE ARG A 9 -2.624 4.190 -0.667 1.00 0.00 H ATOM 105 HH11 ARG A 9 -4.738 4.521 -3.394 1.00 0.00 H ATOM 106 HH12 ARG A 9 -6.144 5.029 -2.332 1.00 0.00 H ATOM 107 HH21 ARG A 9 -4.157 4.874 0.487 1.00 0.00 H ATOM 108 HH22 ARG A 9 -5.821 5.173 -0.217 1.00 0.00 H ATOM 109 N TRP A 10 -2.005 -1.710 -1.358 1.00 0.00 N ATOM 110 CA TRP A 10 -1.443 -3.071 -1.180 1.00 0.00 C ATOM 111 C TRP A 10 -0.864 -3.650 -2.515 1.00 0.00 C ATOM 112 O TRP A 10 -1.450 -3.528 -3.594 1.00 0.00 O ATOM 113 CB TRP A 10 -2.582 -3.924 -0.564 1.00 0.00 C ATOM 114 CG TRP A 10 -2.246 -5.387 -0.265 1.00 0.00 C ATOM 115 CD1 TRP A 10 -2.673 -6.471 -1.048 1.00 0.00 C ATOM 116 CD2 TRP A 10 -1.467 -5.930 0.737 1.00 0.00 C ATOM 117 NE1 TRP A 10 -2.174 -7.698 -0.562 1.00 0.00 N ATOM 118 CE2 TRP A 10 -1.422 -7.334 0.544 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.763 -5.327 1.806 1.00 0.00 C ATOM 120 CZ2 TRP A 10 -0.660 -8.143 1.418 1.00 0.00 C ATOM 121 CZ3 TRP A 10 -0.016 -6.146 2.656 1.00 0.00 C ATOM 122 CH2 TRP A 10 0.036 -7.532 2.465 1.00 0.00 C ATOM 123 H TRP A 10 -2.936 -1.572 -1.756 1.00 0.00 H ATOM 124 HA TRP A 10 -0.636 -3.026 -0.419 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.918 -3.465 0.383 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.463 -3.895 -1.229 1.00 0.00 H ATOM 127 HD1 TRP A 10 -3.286 -6.342 -1.929 1.00 0.00 H ATOM 128 HE1 TRP A 10 -2.346 -8.645 -0.920 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.795 -4.258 1.947 1.00 0.00 H ATOM 130 HZ2 TRP A 10 -0.614 -9.213 1.276 1.00 0.00 H ATOM 131 HZ3 TRP A 10 0.532 -5.702 3.474 1.00 0.00 H ATOM 132 HH2 TRP A 10 0.622 -8.141 3.139 1.00 0.00 H ATOM 133 N LYS A 11 0.286 -4.320 -2.391 1.00 74.43 N ATOM 134 CA LYS A 11 0.992 -4.972 -3.531 1.00 4.20 C ATOM 135 C LYS A 11 0.425 -6.377 -3.912 1.00 11.04 C ATOM 136 O LYS A 11 0.129 -6.651 -5.070 1.00 35.41 O ATOM 137 CB LYS A 11 2.515 -5.037 -3.206 1.00 41.10 C ATOM 138 CG LYS A 11 3.280 -3.700 -3.067 1.00 44.10 C ATOM 139 CD LYS A 11 3.435 -2.909 -4.388 1.00 33.11 C ATOM 140 CE LYS A 11 4.171 -1.565 -4.238 1.00 70.12 C ATOM 141 NZ LYS A 11 3.331 -0.580 -3.525 1.00 43.51 N ATOM 142 H LYS A 11 0.672 -4.311 -1.435 1.00 20.44 H ATOM 143 HA LYS A 11 0.869 -4.347 -4.437 1.00 50.52 H ATOM 144 HB2 LYS A 11 2.657 -5.614 -2.271 1.00 0.00 H ATOM 145 HB3 LYS A 11 3.024 -5.644 -3.978 1.00 63.23 H ATOM 146 HG2 LYS A 11 2.787 -3.073 -2.299 1.00 0.00 H ATOM 147 HG3 LYS A 11 4.285 -3.909 -2.654 1.00 60.25 H ATOM 148 HD2 LYS A 11 3.990 -3.533 -5.113 1.00 0.00 H ATOM 149 HD3 LYS A 11 2.449 -2.737 -4.860 1.00 13.13 H ATOM 150 HE2 LYS A 11 5.140 -1.711 -3.717 1.00 0.00 H ATOM 151 HE3 LYS A 11 4.430 -1.168 -5.239 1.00 35.55 H ATOM 152 HZ1 LYS A 11 2.378 -0.789 -3.213 1.00 44.51 H HETATM 153 N NH2 A 12 0.265 -7.326 -3.007 1.00 24.35 N HETATM 154 HN1 NH2 A 12 -0.220 -8.144 -3.376 1.00 71.12 H HETATM 155 HN2 NH2 A 12 0.309 -7.021 -2.029 1.00 14.20 H TER 156 NH2 A 12