ATOM 1 N GLY A 1 2.116 5.450 5.506 1.00 0.00 N1+ ATOM 2 CA GLY A 1 1.469 5.200 4.187 1.00 0.00 C ATOM 3 C GLY A 1 1.426 3.701 3.916 1.00 0.00 C ATOM 4 O GLY A 1 2.436 3.094 3.570 1.00 0.00 O ATOM 5 H1 GLY A 1 2.366 6.456 5.585 1.00 0.00 H ATOM 6 H2 GLY A 1 2.976 4.870 5.585 1.00 0.00 H ATOM 7 H3 GLY A 1 1.456 5.199 6.269 1.00 0.00 H ATOM 8 HA2 GLY A 1 0.463 5.595 4.199 1.00 0.00 H ATOM 9 HA3 GLY A 1 2.038 5.687 3.409 1.00 0.00 H ATOM 10 N CYS A 2 0.251 3.110 4.074 1.00 0.00 N ATOM 11 CA CYS A 2 0.092 1.679 3.839 1.00 0.00 C ATOM 12 C CYS A 2 0.436 1.327 2.391 1.00 0.00 C ATOM 13 O CYS A 2 1.162 0.371 2.134 1.00 0.00 O ATOM 14 CB CYS A 2 -1.342 1.262 4.138 1.00 0.00 C ATOM 15 SG CYS A 2 -1.528 -0.510 3.837 1.00 0.00 S ATOM 16 H CYS A 2 -0.525 3.640 4.350 1.00 0.00 H ATOM 17 HA CYS A 2 0.754 1.140 4.499 1.00 0.00 H ATOM 18 HB2 CYS A 2 -1.571 1.478 5.170 1.00 0.00 H ATOM 19 HB3 CYS A 2 -2.015 1.811 3.497 1.00 0.00 H HETATM 20 N ABA A 3 -0.105 2.095 1.455 1.00 0.00 N HETATM 21 CA ABA A 3 0.138 1.845 0.038 1.00 0.00 C HETATM 22 C ABA A 3 1.632 1.720 -0.251 1.00 0.00 C HETATM 23 O ABA A 3 2.034 1.089 -1.229 1.00 0.00 O HETATM 24 CB ABA A 3 -0.425 2.993 -0.795 1.00 0.00 C HETATM 25 CG ABA A 3 -1.892 3.005 -0.724 1.00 0.00 C HETATM 26 H ABA A 3 -0.687 2.837 1.720 1.00 0.00 H HETATM 27 HA ABA A 3 -0.353 0.927 -0.244 1.00 0.00 H HETATM 28 HB3 ABA A 3 -0.108 2.873 -1.825 1.00 0.00 H HETATM 29 HB2 ABA A 3 -0.040 3.925 -0.409 1.00 0.00 H HETATM 30 HG1 ABA A 3 -2.399 2.324 -0.056 1.00 0.00 H ATOM 31 N SER A 4 2.449 2.331 0.597 1.00 0.00 N ATOM 32 CA SER A 4 3.895 2.282 0.416 1.00 0.00 C ATOM 33 C SER A 4 4.417 0.870 0.662 1.00 0.00 C ATOM 34 O SER A 4 5.516 0.524 0.228 1.00 0.00 O ATOM 35 CB SER A 4 4.575 3.253 1.382 1.00 0.00 C ATOM 36 OG SER A 4 4.586 2.691 2.686 1.00 0.00 O ATOM 37 H SER A 4 2.075 2.825 1.356 1.00 0.00 H ATOM 38 HA SER A 4 4.133 2.571 -0.596 1.00 0.00 H ATOM 39 HB2 SER A 4 5.587 3.436 1.061 1.00 0.00 H ATOM 40 HB3 SER A 4 4.029 4.188 1.390 1.00 0.00 H ATOM 41 HG SER A 4 4.304 3.367 3.305 1.00 0.00 H ATOM 42 N ASP A 5 3.627 0.058 1.370 1.00 0.00 N ATOM 43 CA ASP A 5 4.041 -1.307 1.673 1.00 0.00 C ATOM 44 C ASP A 5 3.323 -2.316 0.760 1.00 0.00 C ATOM 45 O ASP A 5 2.163 -2.115 0.405 1.00 0.00 O ATOM 46 CB ASP A 5 3.722 -1.625 3.133 1.00 0.00 C ATOM 47 CG ASP A 5 2.263 -2.033 3.285 1.00 0.00 C ATOM 48 OD1 ASP A 5 1.934 -3.135 2.877 1.00 0.00 O ATOM 49 OD2 ASP A 5 1.495 -1.241 3.805 1.00 0.00 O ATOM 50 H ASP A 5 2.769 0.387 1.693 1.00 0.00 H ATOM 51 HA ASP A 5 5.103 -1.372 1.532 1.00 0.00 H ATOM 52 HB2 ASP A 5 4.350 -2.432 3.466 1.00 0.00 H ATOM 53 HB3 ASP A 5 3.905 -0.750 3.734 1.00 0.00 H ATOM 54 N PRO A 6 3.984 -3.396 0.385 1.00 0.00 N ATOM 55 CA PRO A 6 3.380 -4.447 -0.495 1.00 0.00 C ATOM 56 C PRO A 6 2.277 -5.233 0.211 1.00 0.00 C ATOM 57 O PRO A 6 1.413 -5.827 -0.436 1.00 0.00 O ATOM 58 CB PRO A 6 4.564 -5.355 -0.843 1.00 0.00 C ATOM 59 CG PRO A 6 5.556 -5.160 0.251 1.00 0.00 C ATOM 60 CD PRO A 6 5.368 -3.738 0.760 1.00 0.00 C ATOM 61 HA PRO A 6 2.992 -3.999 -1.397 1.00 0.00 H ATOM 62 HB2 PRO A 6 4.247 -6.388 -0.876 1.00 0.00 H ATOM 63 HB3 PRO A 6 4.995 -5.061 -1.789 1.00 0.00 H ATOM 64 HG2 PRO A 6 5.378 -5.872 1.045 1.00 0.00 H ATOM 65 HG3 PRO A 6 6.559 -5.270 -0.131 1.00 0.00 H ATOM 66 HD2 PRO A 6 5.492 -3.704 1.835 1.00 0.00 H ATOM 67 HD3 PRO A 6 6.063 -3.069 0.277 1.00 0.00 H ATOM 68 N ARG A 7 2.317 -5.235 1.540 1.00 0.00 N ATOM 69 CA ARG A 7 1.322 -5.956 2.327 1.00 0.00 C ATOM 70 C ARG A 7 -0.029 -5.245 2.281 1.00 0.00 C ATOM 71 O ARG A 7 -1.055 -5.825 2.641 1.00 0.00 O ATOM 72 CB ARG A 7 1.795 -6.065 3.780 1.00 0.00 C ATOM 73 CG ARG A 7 3.122 -6.835 3.844 1.00 0.00 C ATOM 74 CD ARG A 7 2.858 -8.347 3.877 1.00 0.00 C ATOM 75 NE ARG A 7 4.113 -9.077 4.019 1.00 0.00 N ATOM 76 CZ ARG A 7 4.131 -10.405 4.062 1.00 0.00 C ATOM 77 NH1 ARG A 7 3.014 -11.076 3.975 1.00 0.00 N ATOM 78 NH2 ARG A 7 5.263 -11.039 4.192 1.00 0.00 N ATOM 79 H ARG A 7 3.032 -4.747 2.000 1.00 0.00 H ATOM 80 HA ARG A 7 1.208 -6.946 1.917 1.00 0.00 H ATOM 81 HB2 ARG A 7 1.929 -5.076 4.193 1.00 0.00 H ATOM 82 HB3 ARG A 7 1.049 -6.594 4.355 1.00 0.00 H ATOM 83 HG2 ARG A 7 3.710 -6.598 2.969 1.00 0.00 H ATOM 84 HG3 ARG A 7 3.667 -6.545 4.730 1.00 0.00 H ATOM 85 HD2 ARG A 7 2.219 -8.581 4.714 1.00 0.00 H ATOM 86 HD3 ARG A 7 2.369 -8.651 2.964 1.00 0.00 H ATOM 87 HE ARG A 7 4.956 -8.582 4.086 1.00 0.00 H ATOM 88 HH11 ARG A 7 2.146 -10.590 3.875 1.00 0.00 H ATOM 89 HH12 ARG A 7 3.027 -12.075 4.007 1.00 0.00 H ATOM 90 HH21 ARG A 7 6.119 -10.526 4.259 1.00 0.00 H ATOM 91 HH22 ARG A 7 5.277 -12.039 4.225 1.00 0.00 H ATOM 92 N CYS A 8 -0.023 -3.988 1.848 1.00 0.00 N ATOM 93 CA CYS A 8 -1.255 -3.211 1.767 1.00 0.00 C ATOM 94 C CYS A 8 -2.282 -3.921 0.885 1.00 0.00 C ATOM 95 O CYS A 8 -1.931 -4.551 -0.111 1.00 0.00 O ATOM 96 CB CYS A 8 -0.958 -1.833 1.182 1.00 0.00 C ATOM 97 SG CYS A 8 -2.096 -0.622 1.902 1.00 0.00 S ATOM 98 H CYS A 8 0.829 -3.570 1.584 1.00 0.00 H ATOM 99 HA CYS A 8 -1.668 -3.089 2.756 1.00 0.00 H ATOM 100 HB2 CYS A 8 0.063 -1.557 1.404 1.00 0.00 H ATOM 101 HB3 CYS A 8 -1.100 -1.861 0.111 1.00 0.00 H ATOM 102 N ARG A 9 -3.549 -3.806 1.261 1.00 0.00 N ATOM 103 CA ARG A 9 -4.620 -4.435 0.500 1.00 0.00 C ATOM 104 C ARG A 9 -4.671 -3.878 -0.922 1.00 0.00 C ATOM 105 O ARG A 9 -4.924 -4.614 -1.875 1.00 0.00 O ATOM 106 CB ARG A 9 -5.963 -4.205 1.196 1.00 0.00 C ATOM 107 CG ARG A 9 -6.018 -5.018 2.491 1.00 0.00 C ATOM 108 CD ARG A 9 -7.340 -4.739 3.208 1.00 0.00 C ATOM 109 NE ARG A 9 -8.463 -5.128 2.363 1.00 0.00 N ATOM 110 CZ ARG A 9 -8.864 -6.392 2.285 1.00 0.00 C ATOM 111 NH1 ARG A 9 -8.252 -7.314 2.977 1.00 0.00 N ATOM 112 NH2 ARG A 9 -9.871 -6.712 1.519 1.00 0.00 N ATOM 113 H ARG A 9 -3.768 -3.290 2.065 1.00 0.00 H ATOM 114 HA ARG A 9 -4.431 -5.497 0.450 1.00 0.00 H ATOM 115 HB2 ARG A 9 -6.072 -3.156 1.425 1.00 0.00 H ATOM 116 HB3 ARG A 9 -6.764 -4.517 0.543 1.00 0.00 H ATOM 117 HG2 ARG A 9 -5.944 -6.071 2.261 1.00 0.00 H ATOM 118 HG3 ARG A 9 -5.198 -4.729 3.131 1.00 0.00 H ATOM 119 HD2 ARG A 9 -7.374 -5.309 4.125 1.00 0.00 H ATOM 120 HD3 ARG A 9 -7.409 -3.686 3.439 1.00 0.00 H ATOM 121 HE ARG A 9 -8.930 -4.442 1.840 1.00 0.00 H ATOM 122 HH11 ARG A 9 -7.480 -7.069 3.564 1.00 0.00 H ATOM 123 HH12 ARG A 9 -8.554 -8.265 2.918 1.00 0.00 H ATOM 124 HH21 ARG A 9 -10.341 -6.005 0.990 1.00 0.00 H ATOM 125 HH22 ARG A 9 -10.173 -7.663 1.461 1.00 0.00 H ATOM 126 N TYR A 10 -4.431 -2.574 -1.054 1.00 0.00 N ATOM 127 CA TYR A 10 -4.455 -1.937 -2.369 1.00 0.00 C ATOM 128 C TYR A 10 -3.340 -0.897 -2.480 1.00 0.00 C ATOM 129 O TYR A 10 -2.855 -0.383 -1.473 1.00 0.00 O ATOM 130 CB TYR A 10 -5.810 -1.263 -2.584 1.00 0.00 C ATOM 131 CG TYR A 10 -5.936 -0.083 -1.650 1.00 0.00 C ATOM 132 CD1 TYR A 10 -6.212 -0.295 -0.293 1.00 0.00 C ATOM 133 CD2 TYR A 10 -5.784 1.221 -2.137 1.00 0.00 C ATOM 134 CE1 TYR A 10 -6.336 0.796 0.575 1.00 0.00 C ATOM 135 CE2 TYR A 10 -5.908 2.311 -1.269 1.00 0.00 C ATOM 136 CZ TYR A 10 -6.184 2.099 0.086 1.00 0.00 C ATOM 137 OH TYR A 10 -6.306 3.175 0.943 1.00 0.00 O ATOM 138 H TYR A 10 -4.235 -2.035 -0.260 1.00 0.00 H ATOM 139 HA TYR A 10 -4.313 -2.689 -3.129 1.00 0.00 H ATOM 140 HB2 TYR A 10 -5.875 -0.920 -3.607 1.00 0.00 H ATOM 141 HB3 TYR A 10 -6.605 -1.967 -2.389 1.00 0.00 H ATOM 142 HD1 TYR A 10 -6.326 -1.300 0.083 1.00 0.00 H ATOM 143 HD2 TYR A 10 -5.571 1.384 -3.183 1.00 0.00 H ATOM 144 HE1 TYR A 10 -6.550 0.632 1.621 1.00 0.00 H ATOM 145 HE2 TYR A 10 -5.793 3.317 -1.646 1.00 0.00 H ATOM 146 HH TYR A 10 -6.014 2.896 1.813 1.00 0.00 H ATOM 147 N ARG A 11 -2.938 -0.596 -3.715 1.00 0.00 N ATOM 148 CA ARG A 11 -1.876 0.378 -3.953 1.00 0.00 C ATOM 149 C ARG A 11 -2.443 1.794 -4.046 1.00 0.00 C ATOM 150 O ARG A 11 -3.622 1.979 -4.346 1.00 0.00 O ATOM 151 CB ARG A 11 -1.136 0.039 -5.249 1.00 0.00 C ATOM 152 CG ARG A 11 -0.478 -1.335 -5.118 1.00 0.00 C ATOM 153 CD ARG A 11 0.184 -1.713 -6.443 1.00 0.00 C ATOM 154 NE ARG A 11 1.299 -0.817 -6.725 1.00 0.00 N ATOM 155 CZ ARG A 11 1.972 -0.894 -7.868 1.00 0.00 C ATOM 156 NH1 ARG A 11 1.638 -1.783 -8.763 1.00 0.00 N ATOM 157 NH2 ARG A 11 2.965 -0.080 -8.097 1.00 0.00 N ATOM 158 H ARG A 11 -3.361 -1.042 -4.479 1.00 0.00 H ATOM 159 HA ARG A 11 -1.175 0.335 -3.134 1.00 0.00 H ATOM 160 HB2 ARG A 11 -1.838 0.028 -6.071 1.00 0.00 H ATOM 161 HB3 ARG A 11 -0.376 0.783 -5.434 1.00 0.00 H ATOM 162 HG2 ARG A 11 0.268 -1.304 -4.337 1.00 0.00 H ATOM 163 HG3 ARG A 11 -1.228 -2.071 -4.869 1.00 0.00 H ATOM 164 HD2 ARG A 11 0.550 -2.728 -6.384 1.00 0.00 H ATOM 165 HD3 ARG A 11 -0.544 -1.643 -7.238 1.00 0.00 H ATOM 166 HE ARG A 11 1.556 -0.145 -6.059 1.00 0.00 H ATOM 167 HH11 ARG A 11 0.876 -2.408 -8.587 1.00 0.00 H ATOM 168 HH12 ARG A 11 2.143 -1.842 -9.624 1.00 0.00 H ATOM 169 HH21 ARG A 11 3.221 0.603 -7.412 1.00 0.00 H ATOM 170 HH22 ARG A 11 3.470 -0.137 -8.958 1.00 0.00 H HETATM 171 N ABA A 12 -1.590 2.785 -3.786 1.00 0.00 N HETATM 172 CA ABA A 12 -2.010 4.182 -3.849 1.00 0.00 C HETATM 173 C ABA A 12 -1.085 4.986 -4.754 1.00 0.00 C HETATM 174 O ABA A 12 -0.367 4.424 -5.581 1.00 0.00 O HETATM 175 CB ABA A 12 -2.005 4.788 -2.447 1.00 0.00 C HETATM 176 CG ABA A 12 -2.632 3.850 -1.497 1.00 0.00 C HETATM 177 H ABA A 12 -0.663 2.577 -3.552 1.00 0.00 H HETATM 178 HA ABA A 12 -3.011 4.234 -4.246 1.00 0.00 H HETATM 179 HB3 ABA A 12 -2.568 5.706 -2.457 1.00 0.00 H HETATM 180 HB2 ABA A 12 -0.991 5.006 -2.168 1.00 0.00 H HETATM 181 HG1 ABA A 12 -3.707 3.830 -1.415 1.00 0.00 H ATOM 182 N ARG A 13 -1.112 6.306 -4.595 1.00 0.00 N ATOM 183 CA ARG A 13 -0.275 7.183 -5.407 1.00 0.00 C ATOM 184 C ARG A 13 0.378 8.251 -4.536 1.00 0.00 C ATOM 185 O ARG A 13 1.059 9.103 -5.084 1.00 0.00 O ATOM 186 CB ARG A 13 -1.115 7.856 -6.502 1.00 0.00 C ATOM 187 CG ARG A 13 -2.581 7.434 -6.371 1.00 0.00 C ATOM 188 CD ARG A 13 -3.158 7.979 -5.063 1.00 0.00 C ATOM 189 NE ARG A 13 -4.140 9.017 -5.340 1.00 0.00 N ATOM 190 CZ ARG A 13 -4.690 9.719 -4.356 1.00 0.00 C ATOM 191 NH1 ARG A 13 -4.350 9.483 -3.118 1.00 0.00 N ATOM 192 NH2 ARG A 13 -5.568 10.645 -4.625 1.00 0.00 N ATOM 193 OXT ARG A 13 0.189 8.202 -3.332 1.00 0.00 O ATOM 194 H ARG A 13 -1.707 6.696 -3.923 1.00 0.00 H ATOM 195 HA ARG A 13 0.497 6.596 -5.877 1.00 0.00 H ATOM 196 HB2 ARG A 13 -1.040 8.930 -6.403 1.00 0.00 H ATOM 197 HB3 ARG A 13 -0.747 7.556 -7.471 1.00 0.00 H ATOM 198 HG2 ARG A 13 -3.142 7.831 -7.206 1.00 0.00 H ATOM 199 HG3 ARG A 13 -2.651 6.360 -6.375 1.00 0.00 H ATOM 200 HD2 ARG A 13 -3.631 7.178 -4.516 1.00 0.00 H ATOM 201 HD3 ARG A 13 -2.360 8.393 -4.464 1.00 0.00 H ATOM 202 HE ARG A 13 -4.397 9.200 -6.267 1.00 0.00 H ATOM 203 HH11 ARG A 13 -3.676 8.774 -2.910 1.00 0.00 H ATOM 204 HH12 ARG A 13 -4.764 10.011 -2.377 1.00 0.00 H ATOM 205 HH21 ARG A 13 -5.828 10.826 -5.575 1.00 0.00 H ATOM 206 HH22 ARG A 13 -5.981 11.174 -3.885 1.00 0.00 H TER 207 ARG A 13