HETATM 1 C ACE A 3 2.989 -3.821 0.394 1.00 1.42 C HETATM 2 O ACE A 3 2.672 -4.954 0.048 1.00 25.23 O HETATM 3 CH3 ACE A 3 4.463 -3.439 0.455 1.00 11.32 C HETATM 4 H1 ACE A 3 4.713 -2.700 -0.327 1.00 11.05 H HETATM 5 H2 ACE A 3 4.733 -3.010 1.435 1.00 31.00 H HETATM 6 H3 ACE A 3 5.104 -4.324 0.293 1.00 0.00 H HETATM 7 N NLE A 4 1.972 -3.008 0.677 1.00 24.32 N HETATM 8 CA NLE A 4 2.050 -1.627 1.232 1.00 22.54 C HETATM 9 C NLE A 4 2.915 -0.555 0.479 1.00 51.12 C HETATM 10 O NLE A 4 4.075 -0.299 0.819 1.00 4.44 O HETATM 11 CB NLE A 4 2.327 -1.607 2.757 1.00 51.41 C HETATM 12 CG NLE A 4 1.554 -2.579 3.676 1.00 53.53 C HETATM 13 CD NLE A 4 1.819 -2.321 5.168 1.00 13.25 C HETATM 14 CE NLE A 4 1.088 -3.329 6.065 1.00 21.12 C HETATM 15 H NLE A 4 1.172 -3.583 0.938 1.00 73.41 H HETATM 16 HA NLE A 4 1.003 -1.276 1.150 1.00 13.34 H HETATM 17 HB2 NLE A 4 2.124 -0.579 3.098 1.00 12.25 H HETATM 18 HB3 NLE A 4 3.408 -1.761 2.895 1.00 64.43 H HETATM 19 HG2 NLE A 4 1.842 -3.617 3.425 1.00 24.40 H HETATM 20 HG3 NLE A 4 0.469 -2.506 3.475 1.00 61.35 H HETATM 21 HD2 NLE A 4 1.504 -1.294 5.436 1.00 34.12 H HETATM 22 HD3 NLE A 4 2.907 -2.364 5.376 1.00 2.42 H HETATM 23 HE1 NLE A 4 1.426 -4.366 5.880 1.00 35.54 H HETATM 24 HE2 NLE A 4 1.269 -3.116 7.135 1.00 13.20 H HETATM 25 HE3 NLE A 4 -0.006 -3.301 5.909 1.00 14.24 H ATOM 26 N ASP A 5 2.312 0.121 -0.502 1.00 42.23 N ATOM 27 CA ASP A 5 2.853 1.373 -1.093 1.00 14.33 C ATOM 28 C ASP A 5 2.191 2.619 -0.394 1.00 70.04 C ATOM 29 O ASP A 5 0.956 2.710 -0.421 1.00 71.01 O ATOM 30 CB ASP A 5 2.552 1.395 -2.612 1.00 73.01 C ATOM 31 CG ASP A 5 3.495 0.607 -3.532 1.00 3.02 C ATOM 32 OD1 ASP A 5 4.258 1.206 -4.288 1.00 41.31 O ATOM 33 H ASP A 5 1.334 -0.164 -0.661 1.00 62.10 H ATOM 34 HA ASP A 5 3.954 1.404 -0.986 1.00 60.50 H ATOM 35 HB2 ASP A 5 1.503 1.106 -2.808 1.00 0.00 H ATOM 36 HB3 ASP A 5 2.608 2.443 -2.956 1.00 72.20 H ATOM 37 N PRO A 6 2.924 3.609 0.198 1.00 64.04 N ATOM 38 CA PRO A 6 2.320 4.853 0.763 1.00 44.43 C ATOM 39 C PRO A 6 1.446 5.732 -0.215 1.00 31.44 C ATOM 40 O PRO A 6 1.878 5.910 -1.361 1.00 1.02 O ATOM 41 CB PRO A 6 3.563 5.625 1.253 1.00 53.11 C ATOM 42 CG PRO A 6 4.626 4.559 1.512 1.00 4.15 C ATOM 43 CD PRO A 6 4.380 3.523 0.416 1.00 41.55 C ATOM 44 HA PRO A 6 1.738 4.544 1.650 1.00 15.04 H ATOM 45 HB2 PRO A 6 3.935 6.324 0.475 1.00 0.00 H ATOM 46 HB3 PRO A 6 3.353 6.239 2.150 1.00 62.32 H ATOM 47 HG2 PRO A 6 5.655 4.963 1.488 1.00 0.00 H ATOM 48 HG3 PRO A 6 4.480 4.102 2.510 1.00 31.02 H ATOM 49 HD2 PRO A 6 4.915 3.774 -0.523 1.00 0.00 H ATOM 50 HD3 PRO A 6 4.711 2.517 0.743 1.00 72.34 H ATOM 51 N PRO A 7 0.255 6.307 0.145 1.00 22.14 N ATOM 52 CA PRO A 7 -0.339 6.259 1.517 1.00 10.30 C ATOM 53 C PRO A 7 -1.319 5.062 1.804 1.00 31.43 C ATOM 54 O PRO A 7 -2.462 5.246 2.235 1.00 11.54 O ATOM 55 CB PRO A 7 -1.005 7.653 1.557 1.00 73.35 C ATOM 56 CG PRO A 7 -1.514 7.891 0.133 1.00 73.14 C ATOM 57 CD PRO A 7 -0.432 7.267 -0.747 1.00 50.35 C ATOM 58 HA PRO A 7 0.439 6.246 2.303 1.00 70.33 H ATOM 59 HB2 PRO A 7 -1.807 7.735 2.315 1.00 0.00 H ATOM 60 HB3 PRO A 7 -0.256 8.424 1.822 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.478 7.370 -0.018 1.00 0.00 H ATOM 62 HG3 PRO A 7 -1.681 8.961 -0.089 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.853 6.769 -1.641 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.277 8.041 -1.105 1.00 41.43 H HETATM 65 N DPN A 8 -0.846 3.825 1.603 1.00 0.00 N HETATM 66 CA DPN A 8 -1.604 2.582 1.912 1.00 0.00 C HETATM 67 C DPN A 8 -2.464 2.081 0.707 1.00 0.00 C HETATM 68 O DPN A 8 -3.692 1.997 0.802 1.00 0.00 O HETATM 69 CB DPN A 8 -0.568 1.524 2.408 1.00 0.00 C HETATM 70 CG DPN A 8 -1.170 0.367 3.219 1.00 0.00 C HETATM 71 CD1 DPN A 8 -1.164 0.418 4.616 1.00 0.00 C HETATM 72 CD2 DPN A 8 -1.747 -0.734 2.574 1.00 0.00 C HETATM 73 CE1 DPN A 8 -1.734 -0.614 5.358 1.00 0.00 C HETATM 74 CE2 DPN A 8 -2.327 -1.757 3.318 1.00 0.00 C HETATM 75 CZ DPN A 8 -2.318 -1.699 4.709 1.00 0.00 C HETATM 76 H DPN A 8 0.001 3.794 1.018 1.00 0.00 H HETATM 77 HA DPN A 8 -2.303 2.783 2.750 1.00 0.00 H HETATM 78 HB2 DPN A 8 0.217 2.016 3.009 1.00 0.00 H HETATM 79 HB3 DPN A 8 0.010 1.117 1.555 1.00 0.00 H HETATM 80 HD1 DPN A 8 -0.725 1.258 5.133 1.00 0.00 H HETATM 81 HD2 DPN A 8 -1.763 -0.792 1.498 1.00 0.00 H HETATM 82 HE1 DPN A 8 -1.722 -0.564 6.438 1.00 0.00 H HETATM 83 HE2 DPN A 8 -2.786 -2.594 2.813 1.00 0.00 H HETATM 84 HZ DPN A 8 -2.765 -2.496 5.286 1.00 0.00 H ATOM 85 N ARG A 9 -1.825 1.753 -0.427 1.00 61.01 N ATOM 86 CA ARG A 9 -2.363 0.795 -1.430 1.00 53.23 C ATOM 87 C ARG A 9 -1.536 -0.527 -1.309 1.00 34.42 C ATOM 88 O ARG A 9 -0.311 -0.513 -1.147 1.00 75.42 O ATOM 89 CB ARG A 9 -2.259 1.392 -2.862 1.00 42.11 C ATOM 90 CG ARG A 9 -3.440 2.258 -3.385 1.00 51.03 C ATOM 91 CD ARG A 9 -3.557 3.718 -2.895 1.00 32.53 C ATOM 92 NE ARG A 9 -4.130 3.768 -1.525 1.00 61.34 N ATOM 93 CZ ARG A 9 -4.584 4.847 -0.899 1.00 21.04 C ATOM 94 NH1 ARG A 9 -4.733 6.014 -1.472 1.00 62.52 N ATOM 95 NH2 ARG A 9 -4.900 4.726 0.356 1.00 5.43 N ATOM 96 H ARG A 9 -0.810 1.936 -0.373 1.00 0.22 H ATOM 97 HA ARG A 9 -3.428 0.564 -1.223 1.00 25.44 H ATOM 98 HB2 ARG A 9 -1.295 1.919 -2.986 1.00 0.00 H ATOM 99 HB3 ARG A 9 -2.176 0.545 -3.570 1.00 63.23 H ATOM 100 HG2 ARG A 9 -3.334 2.304 -4.487 1.00 0.00 H ATOM 101 HG3 ARG A 9 -4.402 1.724 -3.245 1.00 34.21 H ATOM 102 HD2 ARG A 9 -2.565 4.214 -2.927 1.00 0.00 H ATOM 103 HD3 ARG A 9 -4.201 4.271 -3.609 1.00 22.22 H ATOM 104 HE ARG A 9 -4.026 2.956 -0.897 1.00 0.00 H ATOM 105 HH11 ARG A 9 -4.477 6.030 -2.461 1.00 0.00 H ATOM 106 HH12 ARG A 9 -5.119 6.779 -0.917 1.00 0.00 H ATOM 107 HH21 ARG A 9 -4.697 3.810 0.777 1.00 0.00 H ATOM 108 HH22 ARG A 9 -5.184 5.566 0.863 1.00 0.00 H ATOM 109 N TRP A 10 -2.209 -1.683 -1.372 1.00 0.00 N ATOM 110 CA TRP A 10 -1.549 -3.001 -1.193 1.00 0.00 C ATOM 111 C TRP A 10 -1.012 -3.574 -2.543 1.00 0.00 C ATOM 112 O TRP A 10 -1.728 -3.659 -3.546 1.00 0.00 O ATOM 113 CB TRP A 10 -2.559 -3.940 -0.490 1.00 0.00 C ATOM 114 CG TRP A 10 -2.043 -5.351 -0.191 1.00 0.00 C ATOM 115 CD1 TRP A 10 -2.207 -6.444 -1.057 1.00 0.00 C ATOM 116 CD2 TRP A 10 -1.266 -5.810 0.852 1.00 0.00 C ATOM 117 NE1 TRP A 10 -1.550 -7.595 -0.581 1.00 0.00 N ATOM 118 CE2 TRP A 10 -0.968 -7.175 0.605 1.00 0.00 C ATOM 119 CE3 TRP A 10 -0.754 -5.158 1.999 1.00 0.00 C ATOM 120 CZ2 TRP A 10 -0.153 -7.896 1.508 1.00 0.00 C ATOM 121 CZ3 TRP A 10 0.033 -5.895 2.885 1.00 0.00 C ATOM 122 CH2 TRP A 10 0.334 -7.241 2.641 1.00 0.00 C ATOM 123 H TRP A 10 -3.145 -1.609 -1.777 1.00 0.00 H ATOM 124 HA TRP A 10 -0.707 -2.882 -0.479 1.00 0.00 H ATOM 125 HB2 TRP A 10 -2.885 -3.488 0.461 1.00 0.00 H ATOM 126 HB3 TRP A 10 -3.471 -4.020 -1.107 1.00 0.00 H ATOM 127 HD1 TRP A 10 -2.711 -6.353 -2.008 1.00 0.00 H ATOM 128 HE1 TRP A 10 -1.463 -8.512 -1.035 1.00 0.00 H ATOM 129 HE3 TRP A 10 -0.972 -4.117 2.182 1.00 0.00 H ATOM 130 HZ2 TRP A 10 0.085 -8.933 1.324 1.00 0.00 H ATOM 131 HZ3 TRP A 10 0.415 -5.425 3.779 1.00 0.00 H ATOM 132 HH2 TRP A 10 0.952 -7.784 3.343 1.00 0.00 H ATOM 133 N LYS A 11 0.239 -4.040 -2.497 1.00 74.43 N ATOM 134 CA LYS A 11 0.867 -4.846 -3.580 1.00 4.20 C ATOM 135 C LYS A 11 1.104 -6.348 -3.211 1.00 11.04 C ATOM 136 O LYS A 11 0.720 -7.245 -3.957 1.00 35.41 O ATOM 137 CB LYS A 11 2.104 -4.092 -4.131 1.00 41.10 C ATOM 138 CG LYS A 11 3.274 -3.797 -3.168 1.00 44.10 C ATOM 139 CD LYS A 11 4.447 -2.997 -3.780 1.00 33.11 C ATOM 140 CE LYS A 11 4.147 -1.614 -4.401 1.00 70.12 C ATOM 141 NZ LYS A 11 3.407 -0.722 -3.480 1.00 43.51 N ATOM 142 H LYS A 11 0.722 -3.832 -1.620 1.00 20.44 H ATOM 143 HA LYS A 11 0.176 -4.896 -4.444 1.00 50.52 H ATOM 144 HB2 LYS A 11 2.493 -4.658 -4.990 1.00 0.00 H ATOM 145 HB3 LYS A 11 1.744 -3.133 -4.548 1.00 63.23 H ATOM 146 HG2 LYS A 11 2.886 -3.240 -2.299 1.00 0.00 H ATOM 147 HG3 LYS A 11 3.664 -4.748 -2.760 1.00 60.25 H ATOM 148 HD2 LYS A 11 5.216 -2.864 -2.994 1.00 0.00 H ATOM 149 HD3 LYS A 11 4.939 -3.624 -4.547 1.00 13.13 H ATOM 150 HE2 LYS A 11 5.103 -1.154 -4.723 1.00 0.00 H ATOM 151 HE3 LYS A 11 3.562 -1.738 -5.333 1.00 35.55 H ATOM 152 HZ1 LYS A 11 2.772 -1.070 -2.754 1.00 44.51 H HETATM 153 N NH2 A 12 1.719 -6.725 -2.104 1.00 24.35 N HETATM 154 HN1 NH2 A 12 1.966 -6.001 -1.413 1.00 71.12 H HETATM 155 HN2 NH2 A 12 1.746 -7.740 -1.978 1.00 14.20 H TER 156 NH2 A 12