HETATM 1 C ACE A 3 2.856 -3.722 0.134 1.00 1.42 C HETATM 2 O ACE A 3 1.810 -3.653 -0.508 1.00 25.23 O HETATM 3 CH3 ACE A 3 3.781 -4.912 -0.023 1.00 11.32 C HETATM 4 H1 ACE A 3 3.386 -5.610 -0.784 1.00 11.05 H HETATM 5 H2 ACE A 3 4.789 -4.603 -0.352 1.00 31.00 H HETATM 6 H3 ACE A 3 3.875 -5.476 0.922 1.00 0.00 H HETATM 7 N NLE A 4 3.253 -2.792 1.000 1.00 24.32 N HETATM 8 CA NLE A 4 2.455 -1.577 1.309 1.00 22.54 C HETATM 9 C NLE A 4 3.129 -0.319 0.675 1.00 51.12 C HETATM 10 O NLE A 4 4.233 0.076 1.065 1.00 4.44 O HETATM 11 CB NLE A 4 2.359 -1.383 2.845 1.00 51.41 C HETATM 12 CG NLE A 4 1.701 -2.515 3.664 1.00 53.53 C HETATM 13 CD NLE A 4 1.534 -2.156 5.150 1.00 13.25 C HETATM 14 CE NLE A 4 0.883 -3.298 5.941 1.00 21.12 C HETATM 15 H NLE A 4 4.126 -2.992 1.494 1.00 73.41 H HETATM 16 HA NLE A 4 1.419 -1.685 0.920 1.00 13.34 H HETATM 17 HB2 NLE A 4 1.802 -0.448 3.035 1.00 12.25 H HETATM 18 HB3 NLE A 4 3.373 -1.185 3.235 1.00 64.43 H HETATM 19 HG2 NLE A 4 2.304 -3.437 3.571 1.00 24.40 H HETATM 20 HG3 NLE A 4 0.714 -2.758 3.233 1.00 61.35 H HETATM 21 HD2 NLE A 4 0.918 -1.241 5.252 1.00 34.12 H HETATM 22 HD3 NLE A 4 2.517 -1.908 5.597 1.00 2.42 H HETATM 23 HE1 NLE A 4 0.756 -3.026 7.006 1.00 35.54 H HETATM 24 HE2 NLE A 4 -0.121 -3.549 5.550 1.00 13.20 H HETATM 25 HE3 NLE A 4 1.491 -4.221 5.911 1.00 14.24 H ATOM 26 N ASP A 5 2.442 0.334 -0.271 1.00 42.23 N ATOM 27 CA ASP A 5 2.930 1.589 -0.903 1.00 14.33 C ATOM 28 C ASP A 5 2.192 2.838 -0.295 1.00 70.04 C ATOM 29 O ASP A 5 0.968 2.920 -0.459 1.00 71.01 O ATOM 30 CB ASP A 5 2.737 1.508 -2.433 1.00 73.01 C ATOM 31 CG ASP A 5 3.748 0.616 -3.167 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.898 1.015 -3.350 1.00 41.31 O ATOM 33 H ASP A 5 1.569 -0.125 -0.565 1.00 62.10 H ATOM 34 HA ASP A 5 4.022 1.693 -0.753 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.693 1.241 -2.676 1.00 0.00 H ATOM 36 HB3 ASP A 5 2.869 2.522 -2.847 1.00 72.20 H ATOM 37 N PRO A 6 2.860 3.830 0.371 1.00 64.04 N ATOM 38 CA PRO A 6 2.193 5.047 0.921 1.00 44.43 C ATOM 39 C PRO A 6 1.351 5.931 -0.075 1.00 31.44 C ATOM 40 O PRO A 6 1.804 6.114 -1.211 1.00 1.02 O ATOM 41 CB PRO A 6 3.381 5.836 1.508 1.00 53.11 C ATOM 42 CG PRO A 6 4.434 4.782 1.845 1.00 4.15 C ATOM 43 CD PRO A 6 4.290 3.753 0.726 1.00 41.55 C ATOM 44 HA PRO A 6 1.559 4.701 1.758 1.00 15.04 H ATOM 45 HB2 PRO A 6 3.799 6.543 0.763 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.093 6.441 2.388 1.00 62.32 H ATOM 47 HG2 PRO A 6 5.456 5.200 1.909 1.00 0.00 H ATOM 48 HG3 PRO A 6 4.213 4.315 2.826 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.907 4.009 -0.158 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.596 2.748 1.076 1.00 72.34 H ATOM 51 N PRO A 7 0.152 6.493 0.271 1.00 22.14 N ATOM 52 CA PRO A 7 -0.456 6.437 1.640 1.00 10.30 C ATOM 53 C PRO A 7 -1.173 5.124 2.118 1.00 31.43 C ATOM 54 O PRO A 7 -1.649 5.081 3.255 1.00 11.54 O ATOM 55 CB PRO A 7 -1.423 7.640 1.570 1.00 73.35 C ATOM 56 CG PRO A 7 -1.860 7.724 0.105 1.00 73.14 C ATOM 57 CD PRO A 7 -0.595 7.357 -0.667 1.00 50.35 C ATOM 58 HA PRO A 7 0.311 6.666 2.405 1.00 70.33 H ATOM 59 HB2 PRO A 7 -2.283 7.561 2.264 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.889 8.568 1.855 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.662 6.990 -0.099 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.252 8.722 -0.169 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.826 6.841 -1.619 1.00 0.00 H ATOM 64 HD3 PRO A 7 -0.001 8.260 -0.915 1.00 41.43 H HETATM 65 N DPN A 8 -1.224 4.059 1.299 1.00 0.00 N HETATM 66 CA DPN A 8 -1.796 2.741 1.692 1.00 0.00 C HETATM 67 C DPN A 8 -2.457 2.049 0.461 1.00 0.00 C HETATM 68 O DPN A 8 -3.683 1.904 0.409 1.00 0.00 O HETATM 69 CB DPN A 8 -0.698 1.876 2.391 1.00 0.00 C HETATM 70 CG DPN A 8 -1.239 0.652 3.149 1.00 0.00 C HETATM 71 CD1 DPN A 8 -1.630 0.776 4.486 1.00 0.00 C HETATM 72 CD2 DPN A 8 -1.375 -0.583 2.505 1.00 0.00 C HETATM 73 CE1 DPN A 8 -2.157 -0.319 5.168 1.00 0.00 C HETATM 74 CE2 DPN A 8 -1.911 -1.674 3.186 1.00 0.00 C HETATM 75 CZ DPN A 8 -2.299 -1.541 4.516 1.00 0.00 C HETATM 76 H DPN A 8 -0.677 4.189 0.438 1.00 0.00 H HETATM 77 HA DPN A 8 -2.613 2.909 2.422 1.00 0.00 H HETATM 78 HB2 DPN A 8 -0.121 2.509 3.085 1.00 0.00 H HETATM 79 HB3 DPN A 8 0.072 1.558 1.661 1.00 0.00 H HETATM 80 HD1 DPN A 8 -1.535 1.724 4.999 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.073 -0.700 1.475 1.00 0.00 H HETATM 82 HE1 DPN A 8 -2.457 -0.217 6.201 1.00 0.00 H HETATM 83 HE2 DPN A 8 -2.017 -2.626 2.688 1.00 0.00 H HETATM 84 HZ DPN A 8 -2.709 -2.390 5.046 1.00 0.00 H ATOM 85 N ARG A 9 -1.648 1.618 -0.522 1.00 61.01 N ATOM 86 CA ARG A 9 -2.067 0.698 -1.607 1.00 53.23 C ATOM 87 C ARG A 9 -1.320 -0.661 -1.431 1.00 34.42 C ATOM 88 O ARG A 9 -0.092 -0.708 -1.275 1.00 75.42 O ATOM 89 CB ARG A 9 -1.762 1.330 -2.990 1.00 42.11 C ATOM 90 CG ARG A 9 -2.422 2.691 -3.361 1.00 51.03 C ATOM 91 CD ARG A 9 -3.958 2.719 -3.524 1.00 32.53 C ATOM 92 NE ARG A 9 -4.623 2.685 -2.194 1.00 61.34 N ATOM 93 CZ ARG A 9 -5.929 2.737 -1.964 1.00 21.04 C ATOM 94 NH1 ARG A 9 -6.826 2.930 -2.897 1.00 5.43 N ATOM 95 NH2 ARG A 9 -6.326 2.582 -0.735 1.00 62.52 N ATOM 96 H ARG A 9 -0.660 1.883 -0.391 1.00 0.22 H ATOM 97 HA ARG A 9 -3.158 0.506 -1.558 1.00 25.44 H ATOM 98 HB2 ARG A 9 -0.665 1.443 -3.074 1.00 0.00 H ATOM 99 HB3 ARG A 9 -2.019 0.589 -3.767 1.00 63.23 H ATOM 100 HG2 ARG A 9 -2.097 3.474 -2.647 1.00 0.00 H ATOM 101 HG3 ARG A 9 -1.979 3.017 -4.322 1.00 34.21 H ATOM 102 HD2 ARG A 9 -4.240 3.645 -4.066 1.00 0.00 H ATOM 103 HD3 ARG A 9 -4.289 1.873 -4.163 1.00 22.22 H ATOM 104 HE ARG A 9 -4.072 2.514 -1.336 1.00 0.00 H ATOM 105 HH11 ARG A 9 -6.436 3.045 -3.834 1.00 0.00 H ATOM 106 HH12 ARG A 9 -7.811 2.959 -2.627 1.00 0.00 H ATOM 107 HH21 ARG A 9 -5.577 2.398 -0.051 1.00 0.00 H ATOM 108 HH22 ARG A 9 -7.329 2.618 -0.545 1.00 0.00 H ATOM 109 N TRP A 10 -2.077 -1.767 -1.443 1.00 0.00 N ATOM 110 CA TRP A 10 -1.528 -3.125 -1.218 1.00 0.00 C ATOM 111 C TRP A 10 -1.173 -3.838 -2.559 1.00 0.00 C ATOM 112 O TRP A 10 -1.968 -3.917 -3.501 1.00 0.00 O ATOM 113 CB TRP A 10 -2.561 -3.913 -0.375 1.00 0.00 C ATOM 114 CG TRP A 10 -2.189 -5.363 -0.048 1.00 0.00 C ATOM 115 CD1 TRP A 10 -2.732 -6.484 -0.699 1.00 0.00 C ATOM 116 CD2 TRP A 10 -1.219 -5.859 0.801 1.00 0.00 C ATOM 117 NE1 TRP A 10 -2.138 -7.686 -0.266 1.00 0.00 N ATOM 118 CE2 TRP A 10 -1.195 -7.270 0.663 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.295 -5.204 1.648 1.00 0.00 C ATOM 120 CZ2 TRP A 10 -0.247 -8.035 1.380 1.00 0.00 C ATOM 121 CZ3 TRP A 10 0.628 -5.980 2.351 1.00 0.00 C ATOM 122 CH2 TRP A 10 0.653 -7.374 2.221 1.00 0.00 C ATOM 123 H TRP A 10 -3.033 -1.634 -1.783 1.00 0.00 H ATOM 124 HA TRP A 10 -0.622 -3.043 -0.581 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.738 -3.386 0.576 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.531 -3.907 -0.901 1.00 0.00 H ATOM 127 HD1 TRP A 10 -3.461 -6.395 -1.491 1.00 0.00 H ATOM 128 HE1 TRP A 10 -2.348 -8.647 -0.558 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.293 -4.127 1.722 1.00 0.00 H ATOM 130 HZ2 TRP A 10 -0.212 -9.109 1.272 1.00 0.00 H ATOM 131 HZ3 TRP A 10 1.344 -5.498 3.001 1.00 0.00 H ATOM 132 HH2 TRP A 10 1.384 -7.947 2.772 1.00 0.00 H ATOM 133 N LYS A 11 0.023 -4.424 -2.562 1.00 74.43 N ATOM 134 CA LYS A 11 0.546 -5.258 -3.671 1.00 4.20 C ATOM 135 C LYS A 11 1.202 -6.560 -3.109 1.00 11.04 C ATOM 136 O LYS A 11 2.416 -6.743 -3.055 1.00 35.41 O ATOM 137 CB LYS A 11 1.448 -4.377 -4.576 1.00 41.10 C ATOM 138 CG LYS A 11 2.639 -3.626 -3.934 1.00 44.10 C ATOM 139 CD LYS A 11 3.334 -2.658 -4.919 1.00 33.11 C ATOM 140 CE LYS A 11 4.181 -1.557 -4.250 1.00 70.12 C ATOM 141 NZ LYS A 11 3.307 -0.573 -3.572 1.00 43.51 N ATOM 142 H LYS A 11 0.625 -4.132 -1.780 1.00 20.44 H ATOM 143 HA LYS A 11 -0.288 -5.599 -4.316 1.00 50.52 H ATOM 144 HB2 LYS A 11 1.833 -5.008 -5.391 1.00 0.00 H ATOM 145 HB3 LYS A 11 0.790 -3.630 -5.057 1.00 63.23 H ATOM 146 HG2 LYS A 11 2.265 -3.060 -3.061 1.00 0.00 H ATOM 147 HG3 LYS A 11 3.369 -4.348 -3.522 1.00 60.25 H ATOM 148 HD2 LYS A 11 3.978 -3.247 -5.599 1.00 0.00 H ATOM 149 HD3 LYS A 11 2.593 -2.176 -5.586 1.00 13.13 H ATOM 150 HE2 LYS A 11 4.897 -1.998 -3.528 1.00 0.00 H ATOM 151 HE3 LYS A 11 4.801 -1.055 -5.019 1.00 35.55 H ATOM 152 HZ1 LYS A 11 2.344 -0.789 -3.296 1.00 44.51 H HETATM 153 N NH2 A 12 0.425 -7.528 -2.661 1.00 24.35 N HETATM 154 HN1 NH2 A 12 0.948 -8.271 -2.192 1.00 71.12 H HETATM 155 HN2 NH2 A 12 -0.554 -7.273 -2.494 1.00 14.20 H TER 156 NH2 A 12