ATOM 1 N MET A 1 1.196 -0.214 -0.166 1.00 61.14 N ATOM 2 CA MET A 1 2.121 -0.033 -1.280 1.00 54.30 C ATOM 3 C MET A 1 3.227 -1.083 -1.244 1.00 10.41 C ATOM 4 O MET A 1 3.940 -1.216 -0.248 1.00 3.43 O ATOM 5 CB MET A 1 2.733 1.369 -1.239 1.00 20.22 C ATOM 6 CG MET A 1 3.458 1.679 0.060 1.00 1.40 C ATOM 7 SD MET A 1 3.995 3.397 0.163 1.00 51.55 S ATOM 8 CE MET A 1 5.771 3.189 0.286 1.00 35.22 C ATOM 9 H MET A 1 1.555 -0.380 0.731 1.00 74.14 H ATOM 10 HA MET A 1 1.563 -0.147 -2.196 1.00 15.40 H ATOM 11 HB2 MET A 1 3.436 1.466 -2.052 1.00 4.54 H ATOM 12 HB3 MET A 1 1.944 2.096 -1.367 1.00 14.14 H ATOM 13 HG2 MET A 1 2.795 1.475 0.887 1.00 54.45 H ATOM 14 HG3 MET A 1 4.326 1.039 0.132 1.00 12.20 H ATOM 15 HE1 MET A 1 6.188 3.068 -0.703 1.00 22.11 H ATOM 16 HE2 MET A 1 6.203 4.061 0.755 1.00 11.55 H ATOM 17 HE3 MET A 1 5.991 2.314 0.879 1.00 61.33 H ATOM 18 N CYS A 2 3.367 -1.827 -2.336 1.00 65.22 N ATOM 19 CA CYS A 2 4.385 -2.866 -2.429 1.00 20.05 C ATOM 20 C CYS A 2 5.753 -2.261 -2.734 1.00 4.54 C ATOM 21 O CYS A 2 6.776 -2.741 -2.249 1.00 4.35 O ATOM 22 CB CYS A 2 4.011 -3.879 -3.513 1.00 63.23 C ATOM 23 SG CYS A 2 5.023 -5.394 -3.495 1.00 13.21 S ATOM 24 H CYS A 2 2.768 -1.674 -3.098 1.00 75.25 H ATOM 25 HA CYS A 2 4.433 -3.371 -1.478 1.00 54.14 H ATOM 26 HB2 CYS A 2 2.980 -4.173 -3.380 1.00 13.22 H ATOM 27 HB3 CYS A 2 4.127 -3.418 -4.483 1.00 71.35 H ATOM 28 N MET A 3 5.759 -1.204 -3.539 1.00 45.01 N ATOM 29 CA MET A 3 7.001 -0.533 -3.907 1.00 52.23 C ATOM 30 C MET A 3 6.723 0.869 -4.443 1.00 23.10 C ATOM 31 O MET A 3 5.641 1.161 -4.954 1.00 20.11 O ATOM 32 CB MET A 3 7.758 -1.351 -4.956 1.00 74.12 C ATOM 33 CG MET A 3 7.210 -1.189 -6.364 1.00 63.41 C ATOM 34 SD MET A 3 8.133 -2.143 -7.584 1.00 2.44 S ATOM 35 CE MET A 3 9.794 -1.530 -7.307 1.00 45.55 C ATOM 36 H MET A 3 4.911 -0.867 -3.895 1.00 0.44 H ATOM 37 HA MET A 3 7.609 -0.452 -3.019 1.00 70.35 H ATOM 38 HB2 MET A 3 8.792 -1.043 -4.958 1.00 63.13 H ATOM 39 HB3 MET A 3 7.701 -2.395 -4.689 1.00 23.14 H ATOM 40 HG2 MET A 3 6.181 -1.517 -6.377 1.00 53.32 H ATOM 41 HG3 MET A 3 7.255 -0.144 -6.635 1.00 1.24 H ATOM 42 HE1 MET A 3 10.350 -1.566 -8.231 1.00 21.34 H ATOM 43 HE2 MET A 3 9.745 -0.510 -6.955 1.00 61.54 H ATOM 44 HE3 MET A 3 10.284 -2.144 -6.566 1.00 63.45 H ATOM 45 N PRO A 4 7.720 1.758 -4.324 1.00 22.41 N ATOM 46 CA PRO A 4 7.607 3.143 -4.790 1.00 23.31 C ATOM 47 C PRO A 4 7.570 3.241 -6.312 1.00 1.05 C ATOM 48 O PRO A 4 8.430 2.692 -7.001 1.00 42.21 O ATOM 49 CB PRO A 4 8.872 3.806 -4.243 1.00 25.11 C ATOM 50 CG PRO A 4 9.849 2.691 -4.088 1.00 51.45 C ATOM 51 CD PRO A 4 9.037 1.478 -3.726 1.00 11.41 C ATOM 52 HA PRO A 4 6.735 3.629 -4.377 1.00 24.43 H ATOM 53 HB2 PRO A 4 9.226 4.547 -4.945 1.00 61.33 H ATOM 54 HB3 PRO A 4 8.656 4.276 -3.294 1.00 71.44 H ATOM 55 HG2 PRO A 4 10.372 2.528 -5.017 1.00 72.30 H ATOM 56 HG3 PRO A 4 10.547 2.923 -3.297 1.00 34.11 H ATOM 57 HD2 PRO A 4 9.474 0.589 -4.154 1.00 15.24 H ATOM 58 HD3 PRO A 4 8.959 1.382 -2.652 1.00 72.12 H ATOM 59 N CYS A 5 6.568 3.944 -6.830 1.00 4.23 N ATOM 60 CA CYS A 5 6.417 4.114 -8.270 1.00 74.20 C ATOM 61 C CYS A 5 6.865 5.508 -8.702 1.00 64.10 C ATOM 62 O CYS A 5 7.138 6.371 -7.867 1.00 15.51 O ATOM 63 CB CYS A 5 4.963 3.883 -8.683 1.00 42.42 C ATOM 64 SG CYS A 5 4.771 3.026 -10.280 1.00 30.21 S ATOM 65 H CYS A 5 5.913 4.358 -6.229 1.00 1.03 H ATOM 66 HA CYS A 5 7.042 3.381 -8.758 1.00 23.14 H ATOM 67 HB2 CYS A 5 4.473 3.284 -7.929 1.00 54.03 H ATOM 68 HB3 CYS A 5 4.462 4.837 -8.759 1.00 14.14 H ATOM 69 N PHE A 6 6.938 5.720 -10.012 1.00 61.31 N ATOM 70 CA PHE A 6 7.353 7.008 -10.555 1.00 11.13 C ATOM 71 C PHE A 6 6.608 7.316 -11.852 1.00 22.31 C ATOM 72 O PHE A 6 6.592 6.508 -12.780 1.00 51.14 O ATOM 73 CB PHE A 6 8.862 7.017 -10.807 1.00 13.01 C ATOM 74 CG PHE A 6 9.680 7.067 -9.548 1.00 63.40 C ATOM 75 CD1 PHE A 6 10.191 8.268 -9.085 1.00 51.33 C ATOM 76 CD2 PHE A 6 9.936 5.911 -8.827 1.00 31.31 C ATOM 77 CE1 PHE A 6 10.943 8.317 -7.927 1.00 4.43 C ATOM 78 CE2 PHE A 6 10.688 5.955 -7.668 1.00 22.35 C ATOM 79 CZ PHE A 6 11.193 7.158 -7.218 1.00 34.35 C ATOM 80 H PHE A 6 6.707 4.992 -10.628 1.00 73.13 H ATOM 81 HA PHE A 6 7.113 7.767 -9.827 1.00 73.55 H ATOM 82 HB2 PHE A 6 9.136 6.121 -11.344 1.00 11.14 H ATOM 83 HB3 PHE A 6 9.115 7.881 -11.403 1.00 15.01 H ATOM 84 HD1 PHE A 6 9.996 9.175 -9.640 1.00 4.32 H ATOM 85 HD2 PHE A 6 9.543 4.968 -9.179 1.00 2.12 H ATOM 86 HE1 PHE A 6 11.336 9.261 -7.578 1.00 62.43 H ATOM 87 HE2 PHE A 6 10.882 5.048 -7.116 1.00 62.21 H ATOM 88 HZ PHE A 6 11.779 7.195 -6.312 1.00 51.43 H ATOM 89 N THR A 7 5.990 8.492 -11.906 1.00 52.30 N ATOM 90 CA THR A 7 5.242 8.908 -13.085 1.00 12.52 C ATOM 91 C THR A 7 6.180 9.292 -14.225 1.00 73.14 C ATOM 92 O THR A 7 5.884 9.049 -15.395 1.00 53.32 O ATOM 93 CB THR A 7 4.318 10.101 -12.773 1.00 60.31 C ATOM 94 OG1 THR A 7 5.098 11.235 -12.379 1.00 62.32 O ATOM 95 CG2 THR A 7 3.334 9.747 -11.669 1.00 21.32 C ATOM 96 H THR A 7 6.040 9.093 -11.134 1.00 2.23 H ATOM 97 HA THR A 7 4.629 8.077 -13.401 1.00 25.02 H ATOM 98 HB THR A 7 3.761 10.348 -13.666 1.00 13.03 H ATOM 99 HG1 THR A 7 5.411 11.111 -11.479 1.00 50.10 H ATOM 100 HG21 THR A 7 2.493 10.424 -11.706 1.00 33.24 H ATOM 101 HG22 THR A 7 3.823 9.833 -10.710 1.00 1.34 H ATOM 102 HG23 THR A 7 2.986 8.735 -11.806 1.00 63.31 H ATOM 103 N THR A 8 7.314 9.892 -13.875 1.00 1.00 N ATOM 104 CA THR A 8 8.295 10.309 -14.869 1.00 60.33 C ATOM 105 C THR A 8 9.064 9.113 -15.418 1.00 53.42 C ATOM 106 O THR A 8 9.612 9.168 -16.520 1.00 64.45 O ATOM 107 CB THR A 8 9.296 11.321 -14.280 1.00 54.50 C ATOM 108 OG1 THR A 8 10.160 11.812 -15.310 1.00 44.03 O ATOM 109 CG2 THR A 8 10.125 10.682 -13.175 1.00 4.11 C ATOM 110 H THR A 8 7.493 10.058 -12.926 1.00 15.32 H ATOM 111 HA THR A 8 7.765 10.788 -15.680 1.00 2.23 H ATOM 112 HB THR A 8 8.741 12.150 -13.860 1.00 41.13 H ATOM 113 HG1 THR A 8 9.655 12.358 -15.918 1.00 42.43 H ATOM 114 HG21 THR A 8 10.989 10.201 -13.608 1.00 54.43 H ATOM 115 HG22 THR A 8 9.527 9.950 -12.654 1.00 2.14 H ATOM 116 HG23 THR A 8 10.448 11.444 -12.482 1.00 74.13 H ATOM 117 N ASP A 9 9.101 8.034 -14.645 1.00 21.34 N ATOM 118 CA ASP A 9 9.802 6.823 -15.056 1.00 12.04 C ATOM 119 C ASP A 9 8.867 5.884 -15.812 1.00 61.42 C ATOM 120 O ASP A 9 7.756 5.602 -15.362 1.00 12.44 O ATOM 121 CB ASP A 9 10.386 6.108 -13.836 1.00 52.22 C ATOM 122 CG ASP A 9 11.421 5.067 -14.216 1.00 4.24 C ATOM 123 OD1 ASP A 9 12.152 4.601 -13.317 1.00 2.11 O ATOM 124 OD2 ASP A 9 11.500 4.718 -15.413 1.00 44.10 O1- ATOM 125 H ASP A 9 8.645 8.052 -13.777 1.00 2.15 H ATOM 126 HA ASP A 9 10.609 7.112 -15.712 1.00 55.21 H ATOM 127 HB2 ASP A 9 10.855 6.836 -13.191 1.00 2.03 H ATOM 128 HB3 ASP A 9 9.588 5.617 -13.299 1.00 52.11 H ATOM 129 N HIS A 10 9.325 5.403 -16.964 1.00 43.01 N ATOM 130 CA HIS A 10 8.529 4.496 -17.784 1.00 62.24 C ATOM 131 C HIS A 10 8.872 3.042 -17.474 1.00 53.43 C ATOM 132 O HIS A 10 8.014 2.162 -17.553 1.00 31.54 O ATOM 133 CB HIS A 10 8.759 4.782 -19.268 1.00 31.21 C ATOM 134 CG HIS A 10 8.047 6.003 -19.760 1.00 13.22 C ATOM 135 ND1 HIS A 10 8.092 7.217 -19.107 1.00 61.15 N ATOM 136 CD2 HIS A 10 7.268 6.194 -20.851 1.00 41.34 C ATOM 137 CE1 HIS A 10 7.372 8.100 -19.774 1.00 72.53 C ATOM 138 NE2 HIS A 10 6.861 7.505 -20.836 1.00 64.11 N ATOM 139 H HIS A 10 10.219 5.664 -17.269 1.00 40.51 H ATOM 140 HA HIS A 10 7.489 4.665 -17.551 1.00 21.14 H ATOM 141 HB2 HIS A 10 9.816 4.923 -19.441 1.00 15.41 H ATOM 142 HB3 HIS A 10 8.414 3.938 -19.848 1.00 4.24 H ATOM 143 HD1 HIS A 10 8.580 7.401 -18.277 1.00 3.22 H ATOM 144 HD2 HIS A 10 7.013 5.453 -21.595 1.00 74.25 H ATOM 145 HE1 HIS A 10 7.225 9.134 -19.497 1.00 61.01 H ATOM 146 N GLN A 11 10.130 2.797 -17.122 1.00 53.33 N ATOM 147 CA GLN A 11 10.586 1.449 -16.803 1.00 74.14 C ATOM 148 C GLN A 11 10.211 1.073 -15.373 1.00 32.21 C ATOM 149 O GLN A 11 10.254 -0.098 -14.998 1.00 21.34 O ATOM 150 CB GLN A 11 12.100 1.342 -16.991 1.00 43.54 C ATOM 151 CG GLN A 11 12.893 2.265 -16.079 1.00 43.54 C ATOM 152 CD GLN A 11 14.266 1.716 -15.746 1.00 64.12 C ATOM 153 OE1 GLN A 11 14.769 0.816 -16.420 1.00 53.20 O ATOM 154 NE2 GLN A 11 14.883 2.256 -14.701 1.00 34.11 N ATOM 155 H GLN A 11 10.767 3.541 -17.077 1.00 21.03 H ATOM 156 HA GLN A 11 10.098 0.765 -17.481 1.00 15.23 H ATOM 157 HB2 GLN A 11 12.404 0.326 -16.792 1.00 73.33 H ATOM 158 HB3 GLN A 11 12.341 1.588 -18.014 1.00 24.02 H ATOM 159 HG2 GLN A 11 13.014 3.218 -16.570 1.00 63.04 H ATOM 160 HG3 GLN A 11 12.343 2.401 -15.160 1.00 63.33 H ATOM 161 HE21 GLN A 11 14.421 2.967 -14.209 1.00 15.12 H ATOM 162 HE22 GLN A 11 15.771 1.919 -14.462 1.00 62.42 H ATOM 163 N MET A 12 9.844 2.075 -14.580 1.00 45.43 N ATOM 164 CA MET A 12 9.461 1.848 -13.191 1.00 41.10 C ATOM 165 C MET A 12 8.188 1.011 -13.108 1.00 14.12 C ATOM 166 O MET A 12 8.083 0.106 -12.281 1.00 20.41 O ATOM 167 CB MET A 12 9.256 3.182 -12.471 1.00 13.42 C ATOM 168 CG MET A 12 8.843 3.031 -11.016 1.00 3.42 C ATOM 169 SD MET A 12 10.164 2.361 -9.986 1.00 34.23 S ATOM 170 CE MET A 12 9.423 0.821 -9.447 1.00 44.15 C ATOM 171 H MET A 12 9.829 2.987 -14.936 1.00 23.24 H ATOM 172 HA MET A 12 10.264 1.310 -12.710 1.00 24.11 H ATOM 173 HB2 MET A 12 10.179 3.741 -12.505 1.00 10.25 H ATOM 174 HB3 MET A 12 8.487 3.740 -12.985 1.00 64.23 H ATOM 175 HG2 MET A 12 8.565 4.000 -10.632 1.00 14.24 H ATOM 176 HG3 MET A 12 7.993 2.368 -10.965 1.00 32.30 H ATOM 177 HE1 MET A 12 8.588 0.580 -10.087 1.00 33.32 H ATOM 178 HE2 MET A 12 10.157 0.032 -9.500 1.00 73.40 H ATOM 179 HE3 MET A 12 9.078 0.926 -8.429 1.00 50.41 H ATOM 180 N ALA A 13 7.225 1.321 -13.968 1.00 20.32 N ATOM 181 CA ALA A 13 5.960 0.596 -13.993 1.00 61.02 C ATOM 182 C ALA A 13 6.191 -0.909 -14.080 1.00 65.44 C ATOM 183 O ALA A 13 5.441 -1.696 -13.502 1.00 61.00 O ATOM 184 CB ALA A 13 5.104 1.069 -15.159 1.00 41.50 C ATOM 185 H ALA A 13 7.368 2.053 -14.603 1.00 54.24 H ATOM 186 HA ALA A 13 5.431 0.816 -13.077 1.00 40.02 H ATOM 187 HB1 ALA A 13 4.254 1.619 -14.780 1.00 4.12 H ATOM 188 HB2 ALA A 13 5.690 1.709 -15.800 1.00 21.51 H ATOM 189 HB3 ALA A 13 4.757 0.213 -15.720 1.00 41.25 H ATOM 190 N ARG A 14 7.233 -1.302 -14.806 1.00 61.42 N ATOM 191 CA ARG A 14 7.562 -2.713 -14.969 1.00 4.12 C ATOM 192 C ARG A 14 7.649 -3.411 -13.615 1.00 73.12 C ATOM 193 O ARG A 14 7.034 -4.456 -13.403 1.00 51.32 O ATOM 194 CB ARG A 14 8.884 -2.867 -15.721 1.00 70.30 C ATOM 195 CG ARG A 14 9.102 -4.257 -16.294 1.00 3.53 C ATOM 196 CD ARG A 14 9.960 -4.216 -17.549 1.00 31.05 C ATOM 197 NE ARG A 14 10.701 -5.459 -17.748 1.00 71.02 N ATOM 198 CZ ARG A 14 11.532 -5.664 -18.763 1.00 73.14 C ATOM 199 NH1 ARG A 14 11.729 -4.714 -19.666 1.00 12.21 N1+ ATOM 200 NH2 ARG A 14 12.170 -6.823 -18.875 1.00 43.21 N ATOM 201 H ARG A 14 7.794 -0.627 -15.242 1.00 11.41 H ATOM 202 HA ARG A 14 6.773 -3.173 -15.547 1.00 53.42 H ATOM 203 HB2 ARG A 14 8.906 -2.158 -16.536 1.00 62.34 H ATOM 204 HB3 ARG A 14 9.697 -2.649 -15.044 1.00 32.32 H ATOM 205 HG2 ARG A 14 9.595 -4.869 -15.554 1.00 14.32 H ATOM 206 HG3 ARG A 14 8.142 -4.690 -16.539 1.00 64.15 H ATOM 207 HD2 ARG A 14 9.319 -4.050 -18.402 1.00 2.11 H ATOM 208 HD3 ARG A 14 10.661 -3.399 -17.462 1.00 61.05 H ATOM 209 HE ARG A 14 10.570 -6.174 -17.091 1.00 12.31 H ATOM 210 HH11 ARG A 14 11.250 -3.841 -19.584 1.00 13.11 H ATOM 211 HH12 ARG A 14 12.356 -4.872 -20.429 1.00 54.33 H ATOM 212 HH21 ARG A 14 12.025 -7.541 -18.195 1.00 3.13 H ATOM 213 HH22 ARG A 14 12.795 -6.976 -19.639 1.00 22.33 H ATOM 214 N LYS A 15 8.418 -2.827 -12.703 1.00 53.05 N ATOM 215 CA LYS A 15 8.587 -3.391 -11.369 1.00 32.42 C ATOM 216 C LYS A 15 7.302 -3.263 -10.558 1.00 33.31 C ATOM 217 O LYS A 15 6.932 -4.172 -9.813 1.00 53.12 O ATOM 218 CB LYS A 15 9.735 -2.691 -10.638 1.00 1.14 C ATOM 219 CG LYS A 15 11.088 -2.889 -11.301 1.00 62.52 C ATOM 220 CD LYS A 15 12.049 -1.764 -10.953 1.00 62.43 C ATOM 221 CE LYS A 15 11.855 -0.563 -11.865 1.00 42.23 C ATOM 222 NZ LYS A 15 13.155 0.045 -12.266 1.00 31.31 N1+ ATOM 223 H LYS A 15 8.883 -1.995 -12.932 1.00 5.22 H ATOM 224 HA LYS A 15 8.826 -4.437 -11.480 1.00 12.41 H ATOM 225 HB2 LYS A 15 9.529 -1.633 -10.598 1.00 65.25 H ATOM 226 HB3 LYS A 15 9.792 -3.077 -9.630 1.00 61.53 H ATOM 227 HG2 LYS A 15 11.509 -3.824 -10.967 1.00 44.42 H ATOM 228 HG3 LYS A 15 10.952 -2.915 -12.373 1.00 63.13 H ATOM 229 HD2 LYS A 15 11.876 -1.458 -9.933 1.00 35.34 H ATOM 230 HD3 LYS A 15 13.063 -2.125 -11.056 1.00 43.40 H ATOM 231 HE2 LYS A 15 11.329 -0.882 -12.752 1.00 42.01 H ATOM 232 HE3 LYS A 15 11.267 0.177 -11.344 1.00 31.51 H ATOM 233 HZ1 LYS A 15 13.874 -0.139 -11.537 1.00 32.11 H ATOM 234 HZ2 LYS A 15 13.049 1.073 -12.380 1.00 43.32 H ATOM 235 HZ3 LYS A 15 13.477 -0.362 -13.166 1.00 5.34 H ATOM 236 N CYS A 16 6.624 -2.130 -10.707 1.00 3.31 N ATOM 237 CA CYS A 16 5.379 -1.884 -9.989 1.00 42.35 C ATOM 238 C CYS A 16 4.413 -3.053 -10.157 1.00 44.12 C ATOM 239 O CYS A 16 3.772 -3.486 -9.199 1.00 25.33 O ATOM 240 CB CYS A 16 4.725 -0.593 -10.486 1.00 33.01 C ATOM 241 SG CYS A 16 2.986 -0.398 -9.983 1.00 23.31 S ATOM 242 H CYS A 16 6.968 -1.442 -11.314 1.00 60.30 H ATOM 243 HA CYS A 16 5.615 -1.776 -8.942 1.00 65.44 H ATOM 244 HB2 CYS A 16 5.276 0.252 -10.098 1.00 64.11 H ATOM 245 HB3 CYS A 16 4.760 -0.573 -11.566 1.00 1.13 H ATOM 246 N ASP A 17 4.313 -3.558 -11.382 1.00 30.21 N ATOM 247 CA ASP A 17 3.426 -4.679 -11.677 1.00 74.33 C ATOM 248 C ASP A 17 3.981 -5.977 -11.101 1.00 20.44 C ATOM 249 O ASP A 17 3.230 -6.829 -10.627 1.00 54.11 O ATOM 250 CB ASP A 17 3.231 -4.818 -13.188 1.00 61.34 C ATOM 251 CG ASP A 17 2.856 -3.505 -13.846 1.00 41.41 C ATOM 252 OD1 ASP A 17 3.435 -3.186 -14.907 1.00 23.12 O ATOM 253 OD2 ASP A 17 1.984 -2.796 -13.303 1.00 73.12 O1- ATOM 254 H ASP A 17 4.849 -3.169 -12.105 1.00 20.24 H ATOM 255 HA ASP A 17 2.471 -4.475 -11.217 1.00 70.12 H ATOM 256 HB2 ASP A 17 4.150 -5.173 -13.631 1.00 60.14 H ATOM 257 HB3 ASP A 17 2.445 -5.533 -13.377 1.00 43.02 H ATOM 258 N ASP A 18 5.301 -6.123 -11.147 1.00 1.53 N ATOM 259 CA ASP A 18 5.957 -7.318 -10.630 1.00 43.23 C ATOM 260 C ASP A 18 5.717 -7.464 -9.130 1.00 73.15 C ATOM 261 O ASP A 18 5.306 -8.524 -8.658 1.00 70.42 O ATOM 262 CB ASP A 18 7.459 -7.265 -10.916 1.00 12.25 C ATOM 263 CG ASP A 18 8.125 -8.618 -10.768 1.00 72.42 C ATOM 264 OD1 ASP A 18 8.536 -8.957 -9.639 1.00 72.02 O ATOM 265 OD2 ASP A 18 8.234 -9.341 -11.781 1.00 1.52 O1- ATOM 266 H ASP A 18 5.847 -5.408 -11.537 1.00 42.55 H ATOM 267 HA ASP A 18 5.534 -8.173 -11.135 1.00 30.43 H ATOM 268 HB2 ASP A 18 7.615 -6.917 -11.927 1.00 71.53 H ATOM 269 HB3 ASP A 18 7.926 -6.576 -10.226 1.00 23.01 H ATOM 270 N CYS A 19 5.977 -6.393 -8.388 1.00 74.32 N ATOM 271 CA CYS A 19 5.791 -6.402 -6.942 1.00 61.35 C ATOM 272 C CYS A 19 4.377 -6.845 -6.578 1.00 64.12 C ATOM 273 O CYS A 19 4.166 -7.523 -5.571 1.00 71.41 O ATOM 274 CB CYS A 19 6.066 -5.012 -6.363 1.00 12.25 C ATOM 275 SG CYS A 19 6.635 -5.027 -4.633 1.00 61.50 S ATOM 276 H CYS A 19 6.302 -5.576 -8.823 1.00 52.24 H ATOM 277 HA CYS A 19 6.494 -7.104 -6.521 1.00 12.02 H ATOM 278 HB2 CYS A 19 6.830 -4.529 -6.955 1.00 43.44 H ATOM 279 HB3 CYS A 19 5.160 -4.426 -6.407 1.00 44.30 H ATOM 280 N CYS A 20 3.411 -6.459 -7.404 1.00 43.21 N ATOM 281 CA CYS A 20 2.016 -6.816 -7.172 1.00 13.54 C ATOM 282 C CYS A 20 1.791 -8.308 -7.401 1.00 3.21 C ATOM 283 O CYS A 20 0.892 -8.908 -6.814 1.00 31.20 O ATOM 284 CB CYS A 20 1.100 -6.003 -8.088 1.00 71.44 C ATOM 285 SG CYS A 20 1.124 -4.211 -7.765 1.00 62.14 S ATOM 286 H CYS A 20 3.640 -5.921 -8.191 1.00 13.34 H ATOM 287 HA CYS A 20 1.782 -6.583 -6.144 1.00 50.45 H ATOM 288 HB2 CYS A 20 1.404 -6.156 -9.114 1.00 1.51 H ATOM 289 HB3 CYS A 20 0.084 -6.347 -7.965 1.00 54.53 H ATOM 290 N GLY A 21 2.615 -8.900 -8.260 1.00 71.21 N ATOM 291 CA GLY A 21 2.490 -10.316 -8.552 1.00 63.31 C ATOM 292 C GLY A 21 3.253 -10.721 -9.797 1.00 31.25 C ATOM 293 O GLY A 21 4.282 -11.389 -9.713 1.00 4.44 O ATOM 294 H GLY A 21 3.314 -8.371 -8.699 1.00 15.03 H ATOM 295 HA2 GLY A 21 2.866 -10.881 -7.713 1.00 21.32 H ATOM 296 HA3 GLY A 21 1.445 -10.552 -8.693 1.00 45.10 H ATOM 297 N GLY A 22 2.747 -10.316 -10.958 1.00 45.41 N ATOM 298 CA GLY A 22 3.401 -10.652 -12.210 1.00 34.14 C ATOM 299 C GLY A 22 3.164 -9.609 -13.285 1.00 73.32 C ATOM 300 O GLY A 22 2.369 -8.686 -13.102 1.00 61.24 O ATOM 301 H GLY A 22 1.923 -9.784 -10.964 1.00 60.10 H ATOM 302 HA2 GLY A 22 4.462 -10.740 -12.036 1.00 2.10 H ATOM 303 HA3 GLY A 22 3.021 -11.601 -12.557 1.00 24.21 H ATOM 304 N LYS A 23 3.857 -9.754 -14.410 1.00 3.23 N ATOM 305 CA LYS A 23 3.719 -8.819 -15.519 1.00 20.35 C ATOM 306 C LYS A 23 2.253 -8.635 -15.899 1.00 22.43 C ATOM 307 O LYS A 23 1.579 -9.587 -16.288 1.00 2.32 O ATOM 308 CB LYS A 23 4.512 -9.312 -16.731 1.00 72.33 C ATOM 309 CG LYS A 23 4.667 -8.268 -17.824 1.00 64.12 C ATOM 310 CD LYS A 23 5.898 -7.406 -17.599 1.00 52.32 C ATOM 311 CE LYS A 23 7.143 -8.042 -18.197 1.00 45.02 C ATOM 312 NZ LYS A 23 7.279 -7.738 -19.649 1.00 51.44 N1+ ATOM 313 H LYS A 23 4.474 -10.510 -14.496 1.00 3.22 H ATOM 314 HA LYS A 23 4.118 -7.867 -15.202 1.00 40.43 H ATOM 315 HB2 LYS A 23 5.497 -9.611 -16.405 1.00 34.30 H ATOM 316 HB3 LYS A 23 4.007 -10.170 -17.152 1.00 10.51 H ATOM 317 HG2 LYS A 23 4.761 -8.768 -18.776 1.00 33.44 H ATOM 318 HG3 LYS A 23 3.792 -7.636 -17.831 1.00 3.51 H ATOM 319 HD2 LYS A 23 5.742 -6.443 -18.063 1.00 62.25 H ATOM 320 HD3 LYS A 23 6.046 -7.275 -16.536 1.00 13.45 H ATOM 321 HE2 LYS A 23 8.010 -7.667 -17.677 1.00 23.11 H ATOM 322 HE3 LYS A 23 7.081 -9.113 -18.067 1.00 53.04 H ATOM 323 HZ1 LYS A 23 8.103 -8.236 -20.041 1.00 22.05 H ATOM 324 HZ2 LYS A 23 7.407 -6.716 -19.788 1.00 23.14 H ATOM 325 HZ3 LYS A 23 6.426 -8.043 -20.160 1.00 40.52 H ATOM 326 N GLY A 24 1.767 -7.403 -15.782 1.00 4.40 N ATOM 327 CA GLY A 24 0.384 -7.117 -16.117 1.00 75.05 C ATOM 328 C GLY A 24 -0.489 -6.952 -14.889 1.00 42.01 C ATOM 329 O GLY A 24 -1.564 -6.355 -14.958 1.00 52.53 O ATOM 330 H GLY A 24 2.351 -6.682 -15.466 1.00 25.55 H ATOM 331 HA2 GLY A 24 0.346 -6.207 -16.698 1.00 12.33 H ATOM 332 HA3 GLY A 24 -0.005 -7.929 -16.714 1.00 2.34 H ATOM 333 N ARG A 25 -0.027 -7.484 -13.762 1.00 15.22 N ATOM 334 CA ARG A 25 -0.775 -7.395 -12.514 1.00 10.45 C ATOM 335 C ARG A 25 -0.345 -6.173 -11.708 1.00 52.41 C ATOM 336 O ARG A 25 0.819 -6.044 -11.330 1.00 73.24 O ATOM 337 CB ARG A 25 -0.574 -8.663 -11.683 1.00 71.43 C ATOM 338 CG ARG A 25 -0.615 -9.942 -12.503 1.00 22.35 C ATOM 339 CD ARG A 25 -1.227 -11.090 -11.716 1.00 4.34 C ATOM 340 NE ARG A 25 -1.490 -12.253 -12.560 1.00 25.31 N ATOM 341 CZ ARG A 25 -1.941 -13.413 -12.093 1.00 43.12 C ATOM 342 NH1 ARG A 25 -2.177 -13.562 -10.797 1.00 62.53 N1+ ATOM 343 NH2 ARG A 25 -2.156 -14.424 -12.923 1.00 50.14 N ATOM 344 H ARG A 25 0.836 -7.947 -13.769 1.00 43.44 H ATOM 345 HA ARG A 25 -1.822 -7.299 -12.759 1.00 53.35 H ATOM 346 HB2 ARG A 25 0.386 -8.608 -11.190 1.00 52.51 H ATOM 347 HB3 ARG A 25 -1.351 -8.717 -10.935 1.00 44.52 H ATOM 348 HG2 ARG A 25 -1.207 -9.771 -13.390 1.00 71.44 H ATOM 349 HG3 ARG A 25 0.393 -10.209 -12.786 1.00 42.22 H ATOM 350 HD2 ARG A 25 -0.546 -11.374 -10.930 1.00 43.41 H ATOM 351 HD3 ARG A 25 -2.158 -10.754 -11.281 1.00 72.52 H ATOM 352 HE ARG A 25 -1.323 -12.163 -13.521 1.00 71.42 H ATOM 353 HH11 ARG A 25 -2.017 -12.801 -10.169 1.00 14.34 H ATOM 354 HH12 ARG A 25 -2.516 -14.436 -10.448 1.00 2.50 H ATOM 355 HH21 ARG A 25 -1.980 -14.314 -13.902 1.00 12.23 H ATOM 356 HH22 ARG A 25 -2.494 -15.296 -12.572 1.00 22.24 H ATOM 357 N GLY A 26 -1.293 -5.277 -11.449 1.00 12.23 N ATOM 358 CA GLY A 26 -0.993 -4.076 -10.691 1.00 3.25 C ATOM 359 C GLY A 26 -1.160 -2.814 -11.513 1.00 24.32 C ATOM 360 O GLY A 26 -1.515 -2.873 -12.690 1.00 11.13 O ATOM 361 H GLY A 26 -2.204 -5.432 -11.775 1.00 43.32 H ATOM 362 HA2 GLY A 26 -1.652 -4.028 -9.838 1.00 32.44 H ATOM 363 HA3 GLY A 26 0.027 -4.131 -10.341 1.00 64.11 H ATOM 364 N LYS A 27 -0.903 -1.668 -10.893 1.00 24.11 N ATOM 365 CA LYS A 27 -1.027 -0.384 -11.573 1.00 32.04 C ATOM 366 C LYS A 27 -0.182 0.682 -10.884 1.00 61.25 C ATOM 367 O LYS A 27 0.078 0.602 -9.683 1.00 41.23 O ATOM 368 CB LYS A 27 -2.492 0.058 -11.612 1.00 32.44 C ATOM 369 CG LYS A 27 -2.877 0.779 -12.891 1.00 22.41 C ATOM 370 CD LYS A 27 -4.284 0.417 -13.334 1.00 55.25 C ATOM 371 CE LYS A 27 -4.304 -0.887 -14.119 1.00 3.41 C ATOM 372 NZ LYS A 27 -3.764 -0.712 -15.496 1.00 54.24 N1+ ATOM 373 H LYS A 27 -0.622 -1.685 -9.953 1.00 41.42 H ATOM 374 HA LYS A 27 -0.671 -0.509 -12.585 1.00 61.03 H ATOM 375 HB2 LYS A 27 -3.121 -0.815 -11.511 1.00 64.22 H ATOM 376 HB3 LYS A 27 -2.677 0.721 -10.780 1.00 21.32 H ATOM 377 HG2 LYS A 27 -2.828 1.845 -12.722 1.00 34.13 H ATOM 378 HG3 LYS A 27 -2.182 0.504 -13.672 1.00 32.04 H ATOM 379 HD2 LYS A 27 -4.910 0.306 -12.461 1.00 4.44 H ATOM 380 HD3 LYS A 27 -4.671 1.209 -13.959 1.00 42.23 H ATOM 381 HE2 LYS A 27 -3.703 -1.615 -13.596 1.00 23.42 H ATOM 382 HE3 LYS A 27 -5.323 -1.238 -14.182 1.00 60.13 H ATOM 383 HZ1 LYS A 27 -2.908 -1.288 -15.619 1.00 33.13 H ATOM 384 HZ2 LYS A 27 -3.525 0.285 -15.662 1.00 74.00 H ATOM 385 HZ3 LYS A 27 -4.473 -1.009 -16.198 1.00 22.22 H ATOM 386 N CYS A 28 0.245 1.679 -11.651 1.00 33.30 N ATOM 387 CA CYS A 28 1.060 2.763 -11.114 1.00 64.20 C ATOM 388 C CYS A 28 0.232 4.032 -10.939 1.00 13.13 C ATOM 389 O CYS A 28 -0.151 4.676 -11.916 1.00 62.20 O ATOM 390 CB CYS A 28 2.249 3.040 -12.036 1.00 65.11 C ATOM 391 SG CYS A 28 3.486 4.177 -11.333 1.00 14.21 S ATOM 392 H CYS A 28 0.005 1.689 -12.602 1.00 41.24 H ATOM 393 HA CYS A 28 1.429 2.453 -10.148 1.00 44.02 H ATOM 394 HB2 CYS A 28 2.749 2.107 -12.256 1.00 14.45 H ATOM 395 HB3 CYS A 28 1.887 3.474 -12.956 1.00 4.33 H ATOM 396 N TYR A 29 -0.042 4.385 -9.688 1.00 12.13 N ATOM 397 CA TYR A 29 -0.827 5.576 -9.384 1.00 54.10 C ATOM 398 C TYR A 29 -0.091 6.476 -8.396 1.00 74.01 C ATOM 399 O TYR A 29 0.030 6.153 -7.215 1.00 21.41 O ATOM 400 CB TYR A 29 -2.191 5.182 -8.814 1.00 42.54 C ATOM 401 CG TYR A 29 -3.118 4.563 -9.836 1.00 45.23 C ATOM 402 CD1 TYR A 29 -3.534 3.243 -9.716 1.00 34.12 C ATOM 403 CD2 TYR A 29 -3.579 5.300 -10.920 1.00 62.43 C ATOM 404 CE1 TYR A 29 -4.380 2.674 -10.648 1.00 13.32 C ATOM 405 CE2 TYR A 29 -4.427 4.739 -11.855 1.00 31.12 C ATOM 406 CZ TYR A 29 -4.825 3.426 -11.715 1.00 13.41 C ATOM 407 OH TYR A 29 -5.669 2.863 -12.645 1.00 30.43 O ATOM 408 H TYR A 29 0.290 3.831 -8.950 1.00 31.15 H ATOM 409 HA TYR A 29 -0.976 6.119 -10.306 1.00 62.24 H ATOM 410 HB2 TYR A 29 -2.048 4.466 -8.020 1.00 4.12 H ATOM 411 HB3 TYR A 29 -2.674 6.061 -8.416 1.00 4.13 H ATOM 412 HD1 TYR A 29 -3.185 2.657 -8.879 1.00 34.10 H ATOM 413 HD2 TYR A 29 -3.267 6.329 -11.027 1.00 55.44 H ATOM 414 HE1 TYR A 29 -4.693 1.645 -10.537 1.00 64.52 H ATOM 415 HE2 TYR A 29 -4.775 5.327 -12.691 1.00 70.25 H ATOM 416 HH TYR A 29 -6.572 2.897 -12.318 1.00 34.11 H ATOM 417 N GLY A 30 0.398 7.610 -8.890 1.00 73.23 N ATOM 418 CA GLY A 30 1.116 8.540 -8.039 1.00 75.55 C ATOM 419 C GLY A 30 2.526 8.078 -7.732 1.00 55.41 C ATOM 420 O GLY A 30 3.111 7.275 -8.461 1.00 44.54 O ATOM 421 H GLY A 30 0.271 7.815 -9.839 1.00 55.31 H ATOM 422 HA2 GLY A 30 1.162 9.500 -8.532 1.00 23.51 H ATOM 423 HA3 GLY A 30 0.576 8.651 -7.110 1.00 4.20 H ATOM 424 N PRO A 31 3.096 8.589 -6.631 1.00 73.33 N ATOM 425 CA PRO A 31 4.454 8.238 -6.205 1.00 43.14 C ATOM 426 C PRO A 31 4.552 6.801 -5.706 1.00 12.34 C ATOM 427 O PRO A 31 5.639 6.226 -5.652 1.00 71.01 O ATOM 428 CB PRO A 31 4.734 9.220 -5.065 1.00 11.54 C ATOM 429 CG PRO A 31 3.388 9.579 -4.535 1.00 21.14 C ATOM 430 CD PRO A 31 2.457 9.550 -5.716 1.00 72.01 C ATOM 431 HA PRO A 31 5.170 8.392 -7.000 1.00 2.41 H ATOM 432 HB2 PRO A 31 5.340 8.738 -4.312 1.00 63.31 H ATOM 433 HB3 PRO A 31 5.250 10.087 -5.451 1.00 63.04 H ATOM 434 HG2 PRO A 31 3.080 8.855 -3.797 1.00 34.33 H ATOM 435 HG3 PRO A 31 3.416 10.568 -4.104 1.00 30.22 H ATOM 436 HD2 PRO A 31 1.479 9.206 -5.417 1.00 4.13 H ATOM 437 HD3 PRO A 31 2.392 10.529 -6.169 1.00 34.24 H ATOM 438 N GLN A 32 3.409 6.226 -5.344 1.00 24.42 N ATOM 439 CA GLN A 32 3.368 4.855 -4.849 1.00 72.22 C ATOM 440 C GLN A 32 2.677 3.936 -5.850 1.00 34.31 C ATOM 441 O GLN A 32 1.829 4.373 -6.628 1.00 54.23 O ATOM 442 CB GLN A 32 2.644 4.798 -3.503 1.00 24.33 C ATOM 443 CG GLN A 32 3.307 5.634 -2.420 1.00 54.33 C ATOM 444 CD GLN A 32 2.383 5.910 -1.249 1.00 11.12 C ATOM 445 OE1 GLN A 32 1.207 5.547 -1.271 1.00 63.11 O ATOM 446 NE2 GLN A 32 2.913 6.555 -0.216 1.00 54.22 N ATOM 447 H GLN A 32 2.575 6.736 -5.410 1.00 31.43 H ATOM 448 HA GLN A 32 4.385 4.520 -4.714 1.00 24.43 H ATOM 449 HB2 GLN A 32 1.633 5.155 -3.635 1.00 14.54 H ATOM 450 HB3 GLN A 32 2.613 3.772 -3.167 1.00 42.10 H ATOM 451 HG2 GLN A 32 4.175 5.106 -2.056 1.00 35.42 H ATOM 452 HG3 GLN A 32 3.613 6.577 -2.848 1.00 4.55 H ATOM 453 HE21 GLN A 32 3.858 6.816 -0.269 1.00 11.44 H ATOM 454 HE22 GLN A 32 2.340 6.748 0.553 1.00 14.22 H ATOM 455 N CYS A 33 3.046 2.660 -5.827 1.00 31.22 N ATOM 456 CA CYS A 33 2.464 1.677 -6.733 1.00 4.23 C ATOM 457 C CYS A 33 1.256 0.997 -6.094 1.00 42.43 C ATOM 458 O CYS A 33 1.375 0.339 -5.059 1.00 3.41 O ATOM 459 CB CYS A 33 3.507 0.628 -7.121 1.00 45.11 C ATOM 460 SG CYS A 33 2.828 -0.793 -8.037 1.00 44.02 S ATOM 461 H CYS A 33 3.729 2.370 -5.184 1.00 11.45 H ATOM 462 HA CYS A 33 2.141 2.196 -7.622 1.00 22.44 H ATOM 463 HB2 CYS A 33 4.257 1.091 -7.744 1.00 21.42 H ATOM 464 HB3 CYS A 33 3.976 0.249 -6.225 1.00 63.41 H ATOM 465 N LEU A 34 0.094 1.160 -6.717 1.00 13.22 N ATOM 466 CA LEU A 34 -1.136 0.563 -6.210 1.00 63.23 C ATOM 467 C LEU A 34 -1.544 -0.641 -7.054 1.00 51.42 C ATOM 468 O LEU A 34 -1.763 -0.522 -8.260 1.00 24.01 O ATOM 469 CB LEU A 34 -2.263 1.598 -6.200 1.00 32.10 C ATOM 470 CG LEU A 34 -1.893 2.987 -5.678 1.00 43.54 C ATOM 471 CD1 LEU A 34 -3.103 3.908 -5.711 1.00 14.04 C ATOM 472 CD2 LEU A 34 -1.330 2.894 -4.268 1.00 70.22 C ATOM 473 H LEU A 34 0.061 1.696 -7.537 1.00 45.35 H ATOM 474 HA LEU A 34 -0.953 0.233 -5.198 1.00 40.11 H ATOM 475 HB2 LEU A 34 -2.619 1.709 -7.213 1.00 35.14 H ATOM 476 HB3 LEU A 34 -3.060 1.211 -5.580 1.00 40.13 H ATOM 477 HG LEU A 34 -1.132 3.414 -6.317 1.00 15.14 H ATOM 478 HD11 LEU A 34 -2.776 4.934 -5.646 1.00 55.34 H ATOM 479 HD12 LEU A 34 -3.750 3.682 -4.877 1.00 25.24 H ATOM 480 HD13 LEU A 34 -3.643 3.760 -6.635 1.00 51.04 H ATOM 481 HD21 LEU A 34 -0.972 3.865 -3.960 1.00 53.03 H ATOM 482 HD22 LEU A 34 -0.512 2.187 -4.253 1.00 13.11 H ATOM 483 HD23 LEU A 34 -2.105 2.564 -3.592 1.00 72.45 H ATOM 484 N CYS A 35 -1.646 -1.800 -6.411 1.00 55.40 N ATOM 485 CA CYS A 35 -2.030 -3.025 -7.100 1.00 1.13 C ATOM 486 C CYS A 35 -3.546 -3.118 -7.244 1.00 11.13 C ATOM 487 O CYS A 35 -4.291 -2.575 -6.429 1.00 45.25 O ATOM 488 CB CYS A 35 -1.502 -4.246 -6.343 1.00 3.52 C ATOM 489 SG CYS A 35 0.262 -4.144 -5.904 1.00 24.35 S ATOM 490 H CYS A 35 -1.459 -1.831 -5.449 1.00 32.23 H ATOM 491 HA CYS A 35 -1.588 -3.005 -8.084 1.00 72.33 H ATOM 492 HB2 CYS A 35 -2.063 -4.362 -5.427 1.00 72.10 H ATOM 493 HB3 CYS A 35 -1.639 -5.126 -6.956 1.00 43.25 H ATOM 494 N ARG A 36 -3.994 -3.810 -8.286 1.00 44.14 N ATOM 495 CA ARG A 36 -5.421 -3.973 -8.537 1.00 13.02 C ATOM 496 C ARG A 36 -6.023 -5.018 -7.602 1.00 4.24 C ATOM 497 O ARG A 36 -5.674 -6.197 -7.667 1.00 54.12 O ATOM 498 CB ARG A 36 -5.661 -4.378 -9.993 1.00 3.14 C ATOM 499 CG ARG A 36 -4.938 -3.496 -10.997 1.00 65.30 C ATOM 500 CD ARG A 36 -5.393 -3.783 -12.420 1.00 44.00 C ATOM 501 NE ARG A 36 -6.751 -3.304 -12.668 1.00 13.52 N ATOM 502 CZ ARG A 36 -7.321 -3.299 -13.867 1.00 42.43 C ATOM 503 NH1 ARG A 36 -6.655 -3.745 -14.923 1.00 55.24 N1+ ATOM 504 NH2 ARG A 36 -8.560 -2.849 -14.013 1.00 4.52 N ATOM 505 H ARG A 36 -3.351 -4.221 -8.901 1.00 31.33 H ATOM 506 HA ARG A 36 -5.902 -3.024 -8.353 1.00 52.22 H ATOM 507 HB2 ARG A 36 -5.324 -5.395 -10.132 1.00 23.53 H ATOM 508 HB3 ARG A 36 -6.720 -4.327 -10.198 1.00 62.10 H ATOM 509 HG2 ARG A 36 -5.144 -2.460 -10.768 1.00 51.50 H ATOM 510 HG3 ARG A 36 -3.876 -3.679 -10.924 1.00 2.40 H ATOM 511 HD2 ARG A 36 -4.718 -3.292 -13.105 1.00 3.43 H ATOM 512 HD3 ARG A 36 -5.361 -4.849 -12.585 1.00 43.42 H ATOM 513 HE ARG A 36 -7.262 -2.970 -11.901 1.00 5.53 H ATOM 514 HH11 ARG A 36 -5.721 -4.087 -14.817 1.00 32.41 H ATOM 515 HH12 ARG A 36 -7.087 -3.743 -15.826 1.00 50.15 H ATOM 516 HH21 ARG A 36 -9.066 -2.513 -13.219 1.00 24.15 H ATOM 517 HH22 ARG A 36 -8.988 -2.845 -14.916 1.00 1.54 H