ATOM 1 N GLY A 1 -6.961 3.525 4.599 1.00 0.00 N ATOM 2 CA GLY A 1 -7.296 2.516 3.599 1.00 0.00 C ATOM 3 C GLY A 1 -6.074 2.119 2.804 1.00 0.00 C ATOM 4 O GLY A 1 -6.127 1.278 1.912 1.00 0.00 O ATOM 5 H1 GLY A 1 -7.808 3.781 5.127 1.00 0.00 H ATOM 6 H2 GLY A 1 -6.254 3.146 5.246 1.00 0.00 H ATOM 7 H3 GLY A 1 -6.585 4.361 4.132 1.00 0.00 H ATOM 8 HA2 GLY A 1 -7.721 1.620 4.087 1.00 0.00 H ATOM 9 HA3 GLY A 1 -8.068 2.905 2.909 1.00 0.00 H ATOM 10 N ASP A 2 -4.813 2.800 3.165 1.00 0.79 N ATOM 11 CA ASP A 2 -3.997 2.439 2.512 1.00 0.87 C ATOM 12 C ASP A 2 -3.408 1.059 2.691 1.00 0.74 C ATOM 13 O ASP A 2 -2.444 0.726 2.163 1.00 0.92 O ATOM 14 CB ASP A 2 -3.340 3.303 2.675 1.00 1.68 C ATOM 15 CG ASP A 2 -3.633 4.365 1.601 1.00 0.00 C ATOM 16 OD1 ASP A 2 -4.113 3.989 0.387 1.00 0.00 O ATOM 17 OD2 ASP A 2 -3.412 5.681 1.866 1.00 0.00 O ATOM 18 H ASP A 2 -4.711 3.504 3.913 1.00 0.00 H ATOM 19 HA ASP A 2 -4.295 2.598 1.831 1.00 1.30 H ATOM 20 HB2 ASP A 2 -3.532 3.715 3.666 1.00 0.00 H ATOM 21 HB3 ASP A 2 -2.301 2.982 2.603 1.00 0.00 H ATOM 22 N CYS A 3 -3.984 0.253 3.434 1.00 0.67 N ATOM 23 CA CYS A 3 -3.466 -1.108 3.650 1.00 0.65 C ATOM 24 C CYS A 3 -4.326 -2.110 2.902 1.00 0.71 C ATOM 25 O CYS A 3 -5.444 -1.811 2.604 1.00 0.88 O ATOM 26 CB CYS A 3 -3.580 -1.327 5.135 1.00 0.78 C ATOM 27 SG CYS A 3 -2.297 -0.923 5.920 1.00 1.25 S ATOM 28 H CYS A 3 -4.759 0.547 3.848 1.00 0.83 H ATOM 29 HA CYS A 3 -2.447 -1.178 3.340 1.00 0.63 H ATOM 30 HB2 CYS A 3 -4.270 -0.844 5.534 1.00 0.93 H ATOM 31 HB3 CYS A 3 -3.738 -2.204 5.317 1.00 1.07 H ATOM 32 N PRO A 4 -3.802 -3.277 2.617 1.00 0.67 N ATOM 33 CA PRO A 4 -2.429 -3.656 2.976 1.00 0.56 C ATOM 34 C PRO A 4 -1.434 -3.097 1.999 1.00 0.47 C ATOM 35 O PRO A 4 -1.741 -2.219 1.259 1.00 0.56 O ATOM 36 CB PRO A 4 -2.452 -5.154 2.898 1.00 0.73 C ATOM 37 CG PRO A 4 -3.534 -5.485 1.964 1.00 0.85 C ATOM 38 CD PRO A 4 -4.474 -4.355 1.928 1.00 0.83 C ATOM 39 HA PRO A 4 -2.206 -3.339 3.954 1.00 0.61 H ATOM 40 HB2 PRO A 4 -1.520 -5.521 2.538 1.00 0.73 H ATOM 41 HB3 PRO A 4 -2.673 -5.560 3.842 1.00 0.88 H ATOM 42 HG2 PRO A 4 -3.124 -5.650 1.016 1.00 0.91 H ATOM 43 HG3 PRO A 4 -4.047 -6.340 2.277 1.00 1.05 H ATOM 44 HD2 PRO A 4 -4.671 -4.088 0.937 1.00 0.93 H ATOM 45 HD3 PRO A 4 -5.368 -4.608 2.419 1.00 0.95 H ATOM 70 N LYS A 6 1.713 -1.331 2.262 1.00 0.59 N ATOM 71 CA LYS A 6 2.157 0.022 2.665 1.00 0.53 C ATOM 72 C LYS A 6 3.181 -0.067 3.729 1.00 0.36 C ATOM 73 O LYS A 6 3.125 -0.905 4.465 1.00 0.54 O ATOM 74 CB LYS A 6 0.948 0.722 3.165 1.00 0.75 C ATOM 75 CG LYS A 6 0.450 1.615 2.197 1.00 1.13 C ATOM 76 CD LYS A 6 0.289 2.154 1.458 1.00 1.28 C ATOM 77 CE LYS A 6 0.180 2.915 0.466 1.00 1.52 C ATOM 78 NZ LYS A 6 -0.562 3.187 -0.190 1.00 1.57 N ATOM 79 H LYS A 6 1.818 -1.941 2.628 1.00 1.12 H ATOM 80 HA LYS A 6 2.542 0.533 1.850 1.00 0.73 H ATOM 81 HB2 LYS A 6 0.159 0.011 3.406 1.00 0.00 H ATOM 82 HB3 LYS A 6 1.177 1.294 4.065 1.00 0.00 H ATOM 83 HG2 LYS A 6 -0.477 1.068 2.032 1.00 0.00 H ATOM 84 HG3 LYS A 6 0.448 2.481 2.859 1.00 0.00 H ATOM 85 HD2 LYS A 6 0.023 1.308 0.823 1.00 0.00 H ATOM 86 HD3 LYS A 6 -0.496 2.717 1.962 1.00 0.00 H ATOM 87 HE2 LYS A 6 0.432 3.888 0.882 1.00 0.00 H ATOM 88 HE3 LYS A 6 0.907 2.503 -0.233 1.00 0.00 H ATOM 89 HZ1 LYS A 6 -0.188 3.863 -0.870 1.00 0.00 H ATOM 90 HZ2 LYS A 6 -0.904 2.352 -0.688 1.00 0.00 H ATOM 91 HZ3 LYS A 6 -1.339 3.618 0.331 1.00 0.00 H ATOM 92 N PRO A 7 4.094 0.796 3.780 1.00 0.63 N ATOM 93 CA PRO A 7 5.123 0.777 4.769 1.00 0.79 C ATOM 94 C PRO A 7 4.679 1.221 6.087 1.00 0.61 C ATOM 95 O PRO A 7 5.086 0.743 7.059 1.00 0.81 O ATOM 96 CB PRO A 7 6.111 1.697 4.305 1.00 1.22 C ATOM 97 CG PRO A 7 5.408 2.570 3.491 1.00 1.32 C ATOM 98 CD PRO A 7 4.257 1.850 2.941 1.00 1.09 C ATOM 99 HA PRO A 7 5.492 -0.151 4.804 1.00 1.01 H ATOM 100 HB2 PRO A 7 6.584 2.213 5.113 1.00 1.27 H ATOM 101 HB3 PRO A 7 6.779 1.199 3.741 1.00 1.53 H ATOM 102 HG2 PRO A 7 5.143 3.382 4.066 1.00 1.33 H ATOM 103 HG3 PRO A 7 5.979 2.867 2.724 1.00 1.70 H ATOM 104 HD2 PRO A 7 3.461 2.435 2.966 1.00 1.19 H ATOM 105 HD3 PRO A 7 4.398 1.498 1.983 1.00 1.31 H ATOM 106 N TRP A 8 3.850 2.135 6.128 1.00 0.62 N ATOM 107 CA TRP A 8 3.382 2.610 7.389 1.00 0.88 C ATOM 108 C TRP A 8 2.168 1.854 7.762 1.00 1.07 C ATOM 109 O TRP A 8 1.631 2.030 8.649 1.00 1.57 O ATOM 110 CB TRP A 8 3.104 4.028 7.204 1.00 1.18 C ATOM 111 CG TRP A 8 2.091 4.170 6.174 1.00 1.32 C ATOM 112 CD1 TRP A 8 0.838 3.918 6.286 1.00 1.54 C ATOM 113 CD2 TRP A 8 2.224 4.600 4.879 1.00 1.45 C ATOM 114 NE1 TRP A 8 0.195 4.162 5.146 1.00 1.69 N ATOM 115 CE2 TRP A 8 1.007 4.585 4.248 1.00 1.66 C ATOM 116 CE3 TRP A 8 3.270 4.999 4.200 1.00 1.58 C ATOM 117 CZ2 TRP A 8 0.833 4.949 2.990 1.00 1.91 C ATOM 118 CZ3 TRP A 8 3.101 5.364 2.931 1.00 1.92 C ATOM 119 CH2 TRP A 8 1.882 5.342 2.327 1.00 2.05 C ATOM 120 H TRP A 8 3.541 2.506 5.331 1.00 0.72 H ATOM 121 HA TRP A 8 4.126 2.535 8.123 1.00 0.93 H ATOM 122 HB2 TRP A 8 2.779 4.430 8.091 1.00 1.44 H ATOM 123 HB3 TRP A 8 3.973 4.531 6.940 1.00 1.18 H ATOM 124 HD1 TRP A 8 0.412 3.581 7.130 1.00 1.69 H ATOM 125 HE1 TRP A 8 -0.724 4.053 4.975 1.00 1.88 H ATOM 126 HE3 TRP A 8 4.211 5.019 4.657 1.00 1.52 H ATOM 127 HZ2 TRP A 8 -0.103 4.928 2.530 1.00 2.09 H ATOM 128 HZ3 TRP A 8 3.910 5.668 2.418 1.00 2.14 H ATOM 129 HH2 TRP A 8 1.761 5.625 1.352 1.00 2.33 H ATOM 130 N CYS A 9 1.731 1.014 7.093 1.00 0.95 N ATOM 131 CA CYS A 9 0.550 0.245 7.405 1.00 1.27 C ATOM 132 C CYS A 9 0.945 -0.596 8.632 1.00 0.00 C ATOM 133 O CYS A 9 0.131 -1.365 9.138 1.00 0.00 O ATOM 134 CB CYS A 9 0.066 -0.411 6.838 1.00 1.00 C ATOM 135 SG CYS A 9 -1.409 -0.811 6.790 1.00 1.34 S ATOM 136 H CYS A 9 2.181 0.885 6.386 1.00 0.94 H ATOM 137 HA CYS A 9 -0.218 0.991 7.611 1.00 0.00 H ATOM 138 HB2 CYS A 9 0.234 -0.055 5.821 1.00 0.00 H ATOM 139 HB3 CYS A 9 0.547 -1.362 7.067 1.00 0.00 H