HETATM 1 C ACE A 3 1.614 -3.796 2.593 1.00 1.42 C HETATM 2 O ACE A 3 0.651 -4.228 1.964 1.00 25.23 O HETATM 3 CH3 ACE A 3 2.723 -4.724 3.051 1.00 11.32 C HETATM 4 H1 ACE A 3 3.704 -4.419 2.643 1.00 11.05 H HETATM 5 H2 ACE A 3 2.794 -4.754 4.153 1.00 31.00 H HETATM 6 H3 ACE A 3 2.531 -5.756 2.705 1.00 0.00 H HETATM 7 N NLE A 4 1.768 -2.515 2.924 1.00 24.32 N HETATM 8 CA NLE A 4 0.756 -1.470 2.605 1.00 22.54 C HETATM 9 C NLE A 4 1.481 -0.153 2.194 1.00 51.12 C HETATM 10 O NLE A 4 2.123 0.519 3.008 1.00 4.44 O HETATM 11 CB NLE A 4 -0.179 -1.304 3.823 1.00 51.41 C HETATM 12 CG NLE A 4 -1.398 -0.383 3.624 1.00 53.53 C HETATM 13 CD NLE A 4 -2.264 -0.253 4.889 1.00 13.25 C HETATM 14 CE NLE A 4 -3.311 0.862 4.765 1.00 21.12 C HETATM 15 H NLE A 4 2.622 -2.317 3.457 1.00 73.41 H HETATM 16 HA NLE A 4 0.117 -1.814 1.767 1.00 13.34 H HETATM 17 HB2 NLE A 4 0.426 -0.937 4.670 1.00 12.25 H HETATM 18 HB3 NLE A 4 -0.544 -2.303 4.105 1.00 64.43 H HETATM 19 HG2 NLE A 4 -2.016 -0.735 2.775 1.00 24.40 H HETATM 20 HG3 NLE A 4 -1.034 0.615 3.336 1.00 61.35 H HETATM 21 HD2 NLE A 4 -1.624 -0.038 5.767 1.00 34.12 H HETATM 22 HD3 NLE A 4 -2.763 -1.216 5.107 1.00 2.42 H HETATM 23 HE1 NLE A 4 -2.836 1.855 4.641 1.00 35.54 H HETATM 24 HE2 NLE A 4 -3.985 0.707 3.901 1.00 13.20 H HETATM 25 HE3 NLE A 4 -3.943 0.924 5.668 1.00 14.24 H ATOM 26 N ASP A 5 1.373 0.191 0.908 1.00 42.23 N ATOM 27 CA ASP A 5 2.200 1.262 0.276 1.00 14.33 C ATOM 28 C ASP A 5 1.346 2.506 -0.170 1.00 70.04 C ATOM 29 O ASP A 5 0.369 2.301 -0.901 1.00 71.01 O ATOM 30 CB ASP A 5 2.935 0.673 -0.953 1.00 73.01 C ATOM 31 CG ASP A 5 4.030 -0.362 -0.656 1.00 3.02 C ATOM 32 OD1 ASP A 5 5.070 -0.019 -0.094 1.00 41.31 O ATOM 33 H ASP A 5 0.822 -0.504 0.385 1.00 62.10 H ATOM 34 HA ASP A 5 2.985 1.590 0.984 1.00 60.50 H ATOM 35 HB2 ASP A 5 2.196 0.290 -1.681 1.00 0.00 H ATOM 36 HB3 ASP A 5 3.438 1.499 -1.479 1.00 72.20 H ATOM 37 N PRO A 6 1.655 3.793 0.188 1.00 64.04 N ATOM 38 CA PRO A 6 0.784 4.961 -0.139 1.00 44.43 C ATOM 39 C PRO A 6 0.664 5.335 -1.663 1.00 31.44 C ATOM 40 O PRO A 6 1.687 5.297 -2.359 1.00 1.02 O ATOM 41 CB PRO A 6 1.383 6.089 0.726 1.00 53.11 C ATOM 42 CG PRO A 6 2.831 5.673 0.986 1.00 4.15 C ATOM 43 CD PRO A 6 2.771 4.150 1.085 1.00 41.55 C ATOM 44 HA PRO A 6 -0.220 4.738 0.260 1.00 15.04 H ATOM 45 HB2 PRO A 6 1.312 7.090 0.260 1.00 0.00 H ATOM 46 HB3 PRO A 6 0.834 6.159 1.686 1.00 62.32 H ATOM 47 HG2 PRO A 6 3.470 5.972 0.132 1.00 0.00 H ATOM 48 HG3 PRO A 6 3.257 6.143 1.892 1.00 31.02 H ATOM 49 HD2 PRO A 6 3.732 3.697 0.779 1.00 0.00 H ATOM 50 HD3 PRO A 6 2.546 3.823 2.121 1.00 72.34 H ATOM 51 N PRO A 7 -0.533 5.683 -2.234 1.00 22.14 N ATOM 52 CA PRO A 7 -1.784 5.992 -1.466 1.00 10.30 C ATOM 53 C PRO A 7 -2.750 4.822 -1.049 1.00 31.43 C ATOM 54 O PRO A 7 -3.907 5.086 -0.709 1.00 11.54 O ATOM 55 CB PRO A 7 -2.446 7.002 -2.430 1.00 73.35 C ATOM 56 CG PRO A 7 -2.068 6.523 -3.833 1.00 73.14 C ATOM 57 CD PRO A 7 -0.632 6.030 -3.667 1.00 50.35 C ATOM 58 HA PRO A 7 -1.544 6.534 -0.532 1.00 70.33 H ATOM 59 HB2 PRO A 7 -3.541 7.093 -2.297 1.00 0.00 H ATOM 60 HB3 PRO A 7 -2.035 8.016 -2.256 1.00 33.33 H ATOM 61 HG2 PRO A 7 -2.727 5.688 -4.143 1.00 0.00 H ATOM 62 HG3 PRO A 7 -2.162 7.316 -4.599 1.00 23.41 H ATOM 63 HD2 PRO A 7 -0.427 5.158 -4.316 1.00 0.00 H ATOM 64 HD3 PRO A 7 0.093 6.824 -3.932 1.00 41.43 H HETATM 65 N 4J2 A 8 -2.285 3.561 -0.995 1.00 55.11 N HETATM 66 CA 4J2 A 8 -3.035 2.420 -0.394 1.00 24.43 C HETATM 67 CB 4J2 A 8 -2.463 2.009 0.997 1.00 10.34 C HETATM 68 CG 4J2 A 8 -2.108 3.091 2.026 1.00 12.23 C HETATM 69 CD1 4J2 A 8 -0.819 3.147 2.545 1.00 0.11 C HETATM 70 CD2 4J2 A 8 -3.054 4.029 2.420 1.00 72.21 C HETATM 71 CE1 4J2 A 8 -0.444 4.142 3.435 1.00 51.02 C HETATM 72 CZ1 4J2 A 8 -1.366 5.115 3.812 1.00 50.12 C HETATM 73 CZ2 4J2 A 8 -1.001 6.154 4.664 1.00 30.24 C HETATM 74 CZ3 4J2 A 8 -1.932 7.125 5.020 1.00 44.51 C HETATM 75 CE2 4J2 A 8 -2.708 5.059 3.297 1.00 75.11 C HETATM 76 CE3 4J2 A 8 -3.624 6.043 3.670 1.00 3.32 C HETATM 77 CE4 4J2 A 8 -3.235 7.069 4.527 1.00 51.13 C HETATM 78 C 4J2 A 8 -3.076 1.180 -1.344 1.00 22.34 C HETATM 79 HE1 4J2 A 8 0.572 4.156 3.806 1.00 0.00 H HETATM 80 O 4J2 A 8 -4.150 0.639 -1.618 1.00 52.33 O HETATM 81 HE3 4J2 A 8 -4.638 6.028 3.295 1.00 0.00 H HETATM 82 HE4 4J2 A 8 -3.947 7.831 4.811 1.00 0.00 H HETATM 83 H 4J2 A 8 -1.274 3.470 -1.146 1.00 71.33 H HETATM 84 HA 4J2 A 8 -4.082 2.713 -0.209 1.00 41.44 H HETATM 85 HB2 4J2 A 8 -3.194 1.334 1.466 1.00 40.54 H HETATM 86 HB1 4J2 A 8 -1.579 1.369 0.849 1.00 60.00 H HETATM 87 HD1 4J2 A 8 -0.097 2.417 2.225 1.00 0.00 H HETATM 88 HD2 4J2 A 8 -4.030 3.936 1.975 1.00 0.00 H HETATM 89 HZ2 4J2 A 8 0.014 6.208 5.036 1.00 0.00 H HETATM 90 HZ23 4J2 A 8 -1.642 7.929 5.681 1.00 0.00 H ATOM 91 N ARG A 9 -1.897 0.695 -1.775 1.00 0.00 N ATOM 92 CA ARG A 9 -1.740 -0.603 -2.476 1.00 0.00 C ATOM 93 C ARG A 9 -1.383 -1.705 -1.430 1.00 0.00 C ATOM 94 O ARG A 9 -0.444 -1.548 -0.637 1.00 0.00 O ATOM 95 CB ARG A 9 -0.594 -0.524 -3.519 1.00 0.00 C ATOM 96 CG ARG A 9 -0.639 0.609 -4.572 1.00 0.00 C ATOM 97 CD ARG A 9 0.636 0.637 -5.446 1.00 0.00 C ATOM 98 NE ARG A 9 0.912 1.991 -5.997 1.00 0.00 N ATOM 99 CZ ARG A 9 1.481 2.996 -5.324 1.00 0.00 C ATOM 100 NH1 ARG A 9 1.832 2.929 -4.066 1.00 0.00 N ATOM 101 NH2 ARG A 9 1.680 4.106 -5.955 1.00 0.00 N ATOM 102 H ARG A 9 -1.087 1.252 -1.460 1.00 0.00 H ATOM 103 HA ARG A 9 -2.675 -0.859 -3.014 1.00 0.00 H ATOM 104 HB2 ARG A 9 0.360 -0.457 -2.966 1.00 0.00 H ATOM 105 HB3 ARG A 9 -0.544 -1.494 -4.043 1.00 0.00 H ATOM 106 HG2 ARG A 9 -1.536 0.526 -5.214 1.00 0.00 H ATOM 107 HG3 ARG A 9 -0.758 1.580 -4.053 1.00 0.00 H ATOM 108 HD2 ARG A 9 1.527 0.273 -4.896 1.00 0.00 H ATOM 109 HD3 ARG A 9 0.526 -0.075 -6.286 1.00 0.00 H ATOM 110 HH11 ARG A 9 1.564 2.046 -3.628 1.00 0.00 H ATOM 111 HH12 ARG A 9 2.122 3.802 -3.610 1.00 0.00 H ATOM 112 HH21 ARG A 9 1.391 4.060 -6.934 1.00 0.00 H ATOM 113 HH22 ARG A 9 2.143 4.860 -5.443 1.00 0.00 H ATOM 114 N TRP A 10 -2.109 -2.830 -1.453 1.00 0.00 N ATOM 115 CA TRP A 10 -1.861 -3.960 -0.528 1.00 0.00 C ATOM 116 C TRP A 10 -1.006 -5.065 -1.224 1.00 0.00 C ATOM 117 O TRP A 10 -1.354 -5.612 -2.275 1.00 0.00 O ATOM 118 CB TRP A 10 -3.230 -4.461 -0.013 1.00 0.00 C ATOM 119 CG TRP A 10 -3.147 -5.628 0.975 1.00 0.00 C ATOM 120 CD1 TRP A 10 -3.296 -6.978 0.617 1.00 0.00 C ATOM 121 CD2 TRP A 10 -2.780 -5.627 2.306 1.00 0.00 C ATOM 122 NE1 TRP A 10 -3.030 -7.840 1.701 1.00 0.00 N ATOM 123 CE2 TRP A 10 -2.709 -6.976 2.738 1.00 0.00 C ATOM 124 CE3 TRP A 10 -2.448 -4.568 3.188 1.00 0.00 C ATOM 125 CZ2 TRP A 10 -2.306 -7.274 4.061 1.00 0.00 C ATOM 126 CZ3 TRP A 10 -2.061 -4.887 4.491 1.00 0.00 C ATOM 127 CH2 TRP A 10 -1.989 -6.219 4.921 1.00 0.00 C ATOM 128 H TRP A 10 -2.671 -2.959 -2.297 1.00 0.00 H ATOM 129 HA TRP A 10 -1.331 -3.588 0.375 1.00 0.00 H ATOM 130 HB2 TRP A 10 -3.763 -3.629 0.477 1.00 0.00 H ATOM 131 HB3 TRP A 10 -3.859 -4.755 -0.870 1.00 0.00 H ATOM 132 HD1 TRP A 10 -3.512 -7.285 -0.398 1.00 0.00 H ATOM 133 HE1 TRP A 10 -3.076 -8.865 1.730 1.00 0.00 H ATOM 134 HE3 TRP A 10 -2.486 -3.542 2.855 1.00 0.00 H ATOM 135 HZ2 TRP A 10 -2.238 -8.298 4.397 1.00 0.00 H ATOM 136 HZ3 TRP A 10 -1.808 -4.093 5.179 1.00 0.00 H ATOM 137 HH2 TRP A 10 -1.679 -6.434 5.934 1.00 0.00 H ATOM 138 N LYS A 11 0.098 -5.399 -0.559 1.00 74.43 N ATOM 139 CA LYS A 11 1.064 -6.439 -0.991 1.00 4.20 C ATOM 140 C LYS A 11 1.407 -7.430 0.171 1.00 11.04 C ATOM 141 O LYS A 11 2.531 -7.548 0.653 1.00 35.41 O ATOM 142 CB LYS A 11 2.281 -5.709 -1.628 1.00 41.10 C ATOM 143 CG LYS A 11 3.053 -4.672 -0.770 1.00 44.10 C ATOM 144 CD LYS A 11 4.218 -4.002 -1.533 1.00 33.11 C ATOM 145 CE LYS A 11 4.748 -2.713 -0.872 1.00 70.12 C ATOM 146 NZ LYS A 11 3.782 -1.609 -1.058 1.00 43.51 N ATOM 147 H LYS A 11 0.298 -4.783 0.239 1.00 20.44 H ATOM 148 HA LYS A 11 0.622 -7.066 -1.790 1.00 50.52 H ATOM 149 HB2 LYS A 11 2.988 -6.481 -1.966 1.00 0.00 H ATOM 150 HB3 LYS A 11 1.926 -5.208 -2.548 1.00 63.23 H ATOM 151 HG2 LYS A 11 2.343 -3.899 -0.422 1.00 0.00 H ATOM 152 HG3 LYS A 11 3.437 -5.149 0.152 1.00 60.25 H ATOM 153 HD2 LYS A 11 5.047 -4.729 -1.620 1.00 0.00 H ATOM 154 HD3 LYS A 11 3.927 -3.783 -2.579 1.00 13.13 H ATOM 155 HE2 LYS A 11 4.954 -2.878 0.205 1.00 0.00 H ATOM 156 HE3 LYS A 11 5.722 -2.439 -1.325 1.00 35.55 H ATOM 157 HZ1 LYS A 11 2.855 -1.753 -1.469 1.00 44.51 H HETATM 158 N NH2 A 12 0.466 -8.216 0.662 1.00 24.35 N HETATM 159 HN1 NH2 A 12 -0.499 -7.969 0.420 1.00 71.12 H HETATM 160 HN2 NH2 A 12 0.785 -8.763 1.467 1.00 14.20 H TER 161 NH2 A 12