Browse entries in the PDBbind-CN Database
HEADER 4L58_COMPLEX COMPND 4L58_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 65 ASP VAL THR ARG CYS ILE CYS GLY PHE THR HIS ASP ASP SEQRES 2 A 65 GLY TYR MET ILE CYS CYS ASP LYS CYS SER VAL TRP GLN SEQRES 3 A 65 HIS ILE ASP CYS MET GLY ILE ASP ARG GLN HIS ILE PRO SEQRES 4 A 65 ASP THR TYR LEU CYS GLU ARG CYS GLN PRO ARG ASN LEU SEQRES 5 A 65 ASP LYS GLU ARG ALA VAL LEU LEU GLN ARG ARG LYS ARG HET ZN A 1 1 HET ZN A 2 1 HET ALA A 193 123 ATOM 1 N ASP A 1 4.856 -1.617 21.690 1.00 34.35 N ATOM 2 CA ASP A 1 5.669 -2.245 20.604 1.00 28.89 C ATOM 3 C ASP A 1 5.046 -3.534 20.063 1.00 22.65 C ATOM 4 O ASP A 1 5.744 -4.381 19.507 1.00 25.52 O ATOM 5 CB ASP A 1 7.093 -2.515 21.102 1.00 31.12 C ATOM 6 CG ASP A 1 7.117 -3.254 22.425 1.00 37.07 C ATOM 7 OD1 ASP A 1 6.026 -3.513 22.972 1.00 37.61 O ATOM 8 OD2 ASP A 1 8.221 -3.559 22.927 1.00 39.85 O ATOM 9 HA ASP A 1 5.695 -1.536 19.777 1.00 0.00 H ATOM 10 HB2 ASP A 1 7.616 -3.115 20.357 1.00 0.00 H ATOM 11 HB3 ASP A 1 7.607 -1.562 21.225 1.00 0.00 H ATOM 12 HN3 ASP A 1 4.766 -2.283 22.483 1.00 0.00 H ATOM 13 HN2 ASP A 1 3.911 -1.383 21.323 1.00 0.00 H ATOM 14 HN1 ASP A 1 5.327 -0.749 22.016 1.00 0.00 H ATOM 15 N VAL A 2 3.731 -3.667 20.215 1.00 15.96 N ATOM 16 CA VAL A 2 3.020 -4.857 19.765 1.00 14.05 C ATOM 17 C VAL A 2 2.169 -4.557 18.540 1.00 11.73 C ATOM 18 O VAL A 2 1.392 -3.605 18.527 1.00 11.50 O ATOM 19 CB VAL A 2 2.085 -5.397 20.859 1.00 16.39 C ATOM 20 CG1 VAL A 2 1.335 -6.626 20.360 1.00 17.52 C ATOM 21 CG2 VAL A 2 2.863 -5.709 22.122 1.00 19.49 C ATOM 22 HA VAL A 2 3.781 -5.599 19.524 1.00 0.00 H ATOM 23 HB VAL A 2 1.352 -4.627 21.099 1.00 0.00 H ATOM 24 HG11 VAL A 2 0.741 -6.358 19.486 1.00 0.00 H ATOM 25 HG12 VAL A 2 2.051 -7.402 20.090 1.00 0.00 H ATOM 26 HG13 VAL A 2 0.678 -6.994 21.148 1.00 0.00 H ATOM 27 HG21 VAL A 2 3.622 -6.460 21.904 1.00 0.00 H ATOM 28 HG22 VAL A 2 3.343 -4.800 22.485 1.00 0.00 H ATOM 29 HG23 VAL A 2 2.181 -6.090 22.882 1.00 0.00 H ATOM 30 H VAL A 2 3.195 -2.900 20.668 1.00 0.00 H ATOM 31 N THR A 3 2.318 -5.388 17.516 1.00 11.97 N ATOM 32 CA THR A 3 1.458 -5.329 16.341 1.00 10.80 C ATOM 33 C THR A 3 0.483 -6.499 16.367 1.00 10.88 C ATOM 34 O THR A 3 0.887 -7.656 16.503 1.00 13.55 O ATOM 35 CB THR A 3 2.284 -5.375 15.042 1.00 10.51 C ATOM 36 OG1 THR A 3 3.033 -4.160 14.912 1.00 13.12 O ATOM 37 CG2 THR A 3 1.391 -5.550 13.821 1.00 12.02 C ATOM 38 HA THR A 3 0.911 -4.386 16.364 1.00 0.00 H ATOM 39 HB THR A 3 2.957 -6.230 15.097 1.00 0.00 H ATOM 40 HG1 THR A 3 3.564 -4.189 14.077 1.00 0.00 H ATOM 41 HG23 THR A 3 0.821 -6.474 13.919 1.00 0.00 H ATOM 42 HG21 THR A 3 0.706 -4.705 13.749 1.00 0.00 H ATOM 43 HG22 THR A 3 2.009 -5.596 12.924 1.00 0.00 H ATOM 44 H THR A 3 3.072 -6.103 17.553 1.00 0.00 H ATOM 45 N ARG A 4 -0.805 -6.191 16.270 1.00 8.81 N ATOM 46 CA ARG A 4 -1.832 -7.220 16.127 1.00 8.32 C ATOM 47 C ARG A 4 -2.947 -6.674 15.259 1.00 7.92 C ATOM 48 O ARG A 4 -3.850 -5.991 15.745 1.00 8.68 O ATOM 49 CB ARG A 4 -2.409 -7.663 17.474 1.00 9.79 C ATOM 50 CG ARG A 4 -3.331 -8.870 17.339 1.00 10.14 C ATOM 51 CD ARG A 4 -4.246 -9.057 18.538 1.00 12.11 C ATOM 52 NE ARG A 4 -5.167 -7.937 18.697 1.00 12.32 N ATOM 53 CZ ARG A 4 -6.194 -7.686 17.889 1.00 11.36 C ATOM 54 NH1 ARG A 4 -6.448 -8.476 16.851 1.00 12.82 N ATOM 55 NH2 ARG A 4 -6.972 -6.638 18.123 1.00 11.21 N ATOM 56 HA ARG A 4 -1.369 -8.095 15.670 1.00 0.00 H ATOM 57 HB2 ARG A 4 -1.586 -7.923 18.140 1.00 0.00 H ATOM 58 HB3 ARG A 4 -2.974 -6.836 17.903 1.00 0.00 H ATOM 59 HG2 ARG A 4 -3.947 -8.739 16.449 1.00 0.00 H ATOM 60 HG3 ARG A 4 -2.718 -9.764 17.227 1.00 0.00 H ATOM 61 HD2 ARG A 4 -3.636 -9.143 19.437 1.00 0.00 H ATOM 62 HD3 ARG A 4 -4.823 -9.972 18.403 1.00 0.00 H ATOM 63 HE ARG A 4 -5.010 -7.291 19.496 1.00 0.00 H ATOM 64 HH12 ARG A 4 -7.253 -8.270 16.226 1.00 0.00 H ATOM 65 HH11 ARG A 4 -5.841 -9.300 16.664 1.00 0.00 H ATOM 66 HH22 ARG A 4 -7.776 -6.437 17.495 1.00 0.00 H ATOM 67 HH21 ARG A 4 -6.778 -6.017 18.935 1.00 0.00 H ATOM 68 H ARG A 4 -1.090 -5.191 16.297 1.00 0.00 H ATOM 69 N CYS A 5 -2.875 -6.980 13.970 1.00 7.67 N ATOM 70 CA CYS A 5 -3.848 -6.506 13.001 1.00 7.23 C ATOM 71 C CYS A 5 -4.705 -7.675 12.524 1.00 8.53 C ATOM 72 O CYS A 5 -4.333 -8.837 12.697 1.00 8.57 O ATOM 73 CB CYS A 5 -3.123 -5.852 11.827 1.00 7.58 C ATOM 74 SG CYS A 5 -4.197 -4.974 10.694 1.00 6.82 S ATOM 75 HA CYS A 5 -4.499 -5.764 13.464 1.00 0.00 H ATOM 76 HB2 CYS A 5 -2.603 -6.631 11.270 1.00 0.00 H ATOM 77 HB3 CYS A 5 -2.396 -5.145 12.226 1.00 0.00 H ATOM 78 HG CYS A 5 -3.441 -4.426 9.678 1.00 0.00 H ATOM 79 H CYS A 5 -2.093 -7.582 13.641 1.00 0.00 H ATOM 80 N ILE A 6 -5.854 -7.378 11.925 1.00 8.38 N ATOM 81 CA ILE A 6 -6.749 -8.441 11.491 1.00 8.87 C ATOM 82 C ILE A 6 -6.159 -9.261 10.348 1.00 8.76 C ATOM 83 O ILE A 6 -6.597 -10.382 10.114 1.00 9.87 O ATOM 84 CB ILE A 6 -8.150 -7.916 11.095 1.00 9.28 C ATOM 85 CG1 ILE A 6 -8.078 -6.966 9.900 1.00 8.77 C ATOM 86 CG2 ILE A 6 -8.811 -7.224 12.281 1.00 11.64 C ATOM 87 CD1 ILE A 6 -9.449 -6.602 9.356 1.00 10.16 C ATOM 88 HA ILE A 6 -6.867 -9.092 12.357 1.00 0.00 H ATOM 89 HB ILE A 6 -8.754 -8.774 10.801 1.00 0.00 H ATOM 90 HG12 ILE A 6 -7.572 -6.052 10.211 1.00 0.00 H ATOM 91 HG13 ILE A 6 -7.504 -7.446 9.107 1.00 0.00 H ATOM 92 HD11 ILE A 6 -9.962 -7.508 9.033 1.00 0.00 H ATOM 93 HD12 ILE A 6 -10.030 -6.113 10.137 1.00 0.00 H ATOM 94 HD13 ILE A 6 -9.335 -5.926 8.509 1.00 0.00 H ATOM 95 HG21 ILE A 6 -8.915 -7.933 13.102 1.00 0.00 H ATOM 96 HG22 ILE A 6 -8.193 -6.385 12.601 1.00 0.00 H ATOM 97 HG23 ILE A 6 -9.795 -6.861 11.986 1.00 0.00 H ATOM 98 H ILE A 6 -6.114 -6.384 11.766 1.00 0.00 H ATOM 99 N CYS A 7 -5.164 -8.717 9.649 1.00 9.14 N ATOM 100 CA CYS A 7 -4.502 -9.446 8.561 1.00 8.93 C ATOM 101 C CYS A 7 -3.537 -10.512 9.074 1.00 9.02 C ATOM 102 O CYS A 7 -3.174 -11.435 8.342 1.00 9.57 O ATOM 103 CB CYS A 7 -3.724 -8.485 7.666 1.00 6.70 C ATOM 104 SG CYS A 7 -2.392 -7.624 8.520 1.00 7.14 S ATOM 105 HA CYS A 7 -5.295 -9.937 7.997 1.00 0.00 H ATOM 106 HB2 CYS A 7 -4.418 -7.742 7.272 1.00 0.00 H ATOM 107 HB3 CYS A 7 -3.294 -9.053 6.841 1.00 0.00 H ATOM 108 HG CYS A 7 -2.917 -6.886 9.561 1.00 0.00 H ATOM 109 H CYS A 7 -4.849 -7.753 9.880 1.00 0.00 H ATOM 110 N GLY A 8 -3.101 -10.366 10.321 1.00 7.63 N ATOM 111 CA GLY A 8 -2.153 -11.292 10.911 1.00 9.24 C ATOM 112 C GLY A 8 -0.693 -10.996 10.589 1.00 8.40 C ATOM 113 O GLY A 8 0.209 -11.619 11.157 1.00 8.42 O ATOM 114 HA3 GLY A 8 -2.385 -12.294 10.549 1.00 0.00 H ATOM 115 HA2 GLY A 8 -2.276 -11.261 11.994 1.00 0.00 H ATOM 116 H GLY A 8 -3.449 -9.567 10.889 1.00 0.00 H ATOM 117 N PHE A 9 -0.440 -10.059 9.681 1.00 8.15 N ATOM 118 CA PHE A 9 0.940 -9.731 9.334 1.00 7.22 C ATOM 119 C PHE A 9 1.559 -8.810 10.374 1.00 7.65 C ATOM 120 O PHE A 9 0.884 -7.951 10.942 1.00 8.93 O ATOM 121 CB PHE A 9 1.044 -9.084 7.956 1.00 7.51 C ATOM 122 CG PHE A 9 0.811 -10.033 6.819 1.00 8.34 C ATOM 123 CD1 PHE A 9 1.789 -10.943 6.449 1.00 9.55 C ATOM 124 CD2 PHE A 9 -0.376 -10.008 6.112 1.00 9.80 C ATOM 125 CE1 PHE A 9 1.583 -11.815 5.402 1.00 10.10 C ATOM 126 CE2 PHE A 9 -0.590 -10.881 5.057 1.00 9.46 C ATOM 127 CZ PHE A 9 0.392 -11.784 4.703 1.00 10.56 C ATOM 128 HA PHE A 9 1.489 -10.672 9.313 1.00 0.00 H ATOM 129 HB2 PHE A 9 0.304 -8.286 7.895 1.00 0.00 H ATOM 130 HB3 PHE A 9 2.043 -8.660 7.850 1.00 0.00 H ATOM 131 HD2 PHE A 9 -1.152 -9.294 6.387 1.00 0.00 H ATOM 132 HE2 PHE A 9 -1.531 -10.855 4.508 1.00 0.00 H ATOM 133 HZ PHE A 9 0.228 -12.472 3.873 1.00 0.00 H ATOM 134 HE1 PHE A 9 2.359 -12.529 5.126 1.00 0.00 H ATOM 135 HD1 PHE A 9 2.733 -10.969 6.993 1.00 0.00 H ATOM 136 H PHE A 9 -1.225 -9.559 9.217 1.00 0.00 H ATOM 137 N THR A 10 2.854 -8.985 10.601 1.00 8.69 N ATOM 138 CA THR A 10 3.544 -8.275 11.668 1.00 9.45 C ATOM 139 C THR A 10 4.442 -7.153 11.152 1.00 9.11 C ATOM 140 O THR A 10 5.001 -6.398 11.944 1.00 10.60 O ATOM 141 CB THR A 10 4.381 -9.247 12.517 1.00 12.21 C ATOM 142 OG1 THR A 10 5.340 -9.918 11.686 1.00 12.46 O ATOM 143 CG2 THR A 10 3.478 -10.277 13.167 1.00 16.27 C ATOM 144 HA THR A 10 2.766 -7.820 12.281 1.00 0.00 H ATOM 145 HB THR A 10 4.900 -8.680 13.290 1.00 0.00 H ATOM 146 HG1 THR A 10 5.938 -9.249 11.268 1.00 0.00 H ATOM 147 HG23 THR A 10 2.748 -9.771 13.799 1.00 0.00 H ATOM 148 HG21 THR A 10 2.960 -10.844 12.393 1.00 0.00 H ATOM 149 HG22 THR A 10 4.079 -10.954 13.774 1.00 0.00 H ATOM 150 H THR A 10 3.389 -9.646 10.002 1.00 0.00 H ATOM 151 N HIS A 11 4.579 -7.036 9.835 1.00 9.01 N ATOM 152 CA HIS A 11 5.380 -5.957 9.263 1.00 10.39 C ATOM 153 C HIS A 11 4.678 -4.617 9.426 1.00 9.04 C ATOM 154 O HIS A 11 3.478 -4.556 9.680 1.00 8.57 O ATOM 155 CB HIS A 11 5.666 -6.204 7.780 1.00 11.51 C ATOM 156 CG HIS A 11 4.437 -6.283 6.931 1.00 11.43 C ATOM 157 ND1 HIS A 11 3.847 -7.481 6.588 1.00 12.41 N ATOM 158 CD2 HIS A 11 3.687 -5.316 6.353 1.00 12.76 C ATOM 159 CE1 HIS A 11 2.785 -7.246 5.838 1.00 11.93 C ATOM 160 NE2 HIS A 11 2.664 -5.941 5.683 1.00 11.09 N ATOM 161 HA HIS A 11 6.326 -5.935 9.804 1.00 0.00 H ATOM 162 HB2 HIS A 11 6.288 -5.389 7.410 1.00 0.00 H ATOM 163 HB3 HIS A 11 6.209 -7.145 7.687 1.00 0.00 H ATOM 164 HD2 HIS A 11 3.862 -4.242 6.409 1.00 0.00 H ATOM 165 HE1 HIS A 11 2.121 -8.002 5.418 1.00 0.00 H ATOM 166 H HIS A 11 4.111 -7.719 9.206 1.00 0.00 H ATOM 167 N ASP A 12 5.455 -3.551 9.280 1.00 10.89 N ATOM 168 CA ASP A 12 4.952 -2.185 9.286 1.00 11.84 C ATOM 169 C ASP A 12 4.748 -1.759 7.834 1.00 12.64 C ATOM 170 O ASP A 12 5.690 -1.788 7.047 1.00 15.49 O ATOM 171 CB ASP A 12 5.989 -1.291 9.972 1.00 11.53 C ATOM 172 CG ASP A 12 5.521 0.138 10.160 1.00 13.40 C ATOM 173 OD1 ASP A 12 4.537 0.562 9.520 1.00 12.74 O ATOM 174 OD2 ASP A 12 6.173 0.847 10.956 1.00 15.57 O ATOM 175 HA ASP A 12 4.008 -2.105 9.825 1.00 0.00 H ATOM 176 HB2 ASP A 12 6.215 -1.713 10.951 1.00 0.00 H ATOM 177 HB3 ASP A 12 6.894 -1.282 9.364 1.00 0.00 H ATOM 178 H ASP A 12 6.477 -3.699 9.155 1.00 0.00 H ATOM 179 N ASP A 13 3.524 -1.376 7.470 1.00 12.31 N ATOM 180 CA ASP A 13 3.218 -1.065 6.071 1.00 12.46 C ATOM 181 C ASP A 13 3.257 0.430 5.741 1.00 13.36 C ATOM 182 O ASP A 13 2.879 0.830 4.640 1.00 15.26 O ATOM 183 CB ASP A 13 1.853 -1.639 5.672 1.00 12.70 C ATOM 184 CG ASP A 13 0.690 -0.811 6.194 1.00 11.79 C ATOM 185 OD1 ASP A 13 -0.423 -0.925 5.635 1.00 10.09 O ATOM 186 OD2 ASP A 13 0.890 -0.046 7.154 1.00 9.66 O ATOM 187 HA ASP A 13 4.012 -1.537 5.491 1.00 0.00 H ATOM 188 HB2 ASP A 13 1.795 -1.675 4.584 1.00 0.00 H ATOM 189 HB3 ASP A 13 1.769 -2.649 6.073 1.00 0.00 H ATOM 190 H ASP A 13 2.776 -1.297 8.189 1.00 0.00 H ATOM 191 N GLY A 14 3.704 1.253 6.684 1.00 13.02 N ATOM 192 CA GLY A 14 3.860 2.675 6.430 1.00 13.29 C ATOM 193 C GLY A 14 2.745 3.574 6.939 1.00 12.25 C ATOM 194 O GLY A 14 2.896 4.794 6.941 1.00 14.39 O ATOM 195 HA3 GLY A 14 3.934 2.814 5.351 1.00 0.00 H ATOM 196 HA2 GLY A 14 4.789 2.997 6.901 1.00 0.00 H ATOM 197 H GLY A 14 3.947 0.872 7.621 1.00 0.00 H ATOM 198 N TYR A 15 1.622 2.993 7.355 1.00 10.49 N ATOM 199 CA TYR A 15 0.562 3.779 7.985 1.00 9.66 C ATOM 200 C TYR A 15 -0.247 2.929 8.961 1.00 8.52 C ATOM 201 O TYR A 15 -1.153 2.184 8.570 1.00 9.29 O ATOM 202 CB TYR A 15 -0.349 4.429 6.940 1.00 12.14 C ATOM 203 CG TYR A 15 -0.909 5.768 7.381 1.00 13.12 C ATOM 204 CD1 TYR A 15 -1.346 5.969 8.687 1.00 16.17 C ATOM 205 CD2 TYR A 15 -0.986 6.836 6.495 1.00 16.31 C ATOM 206 CE1 TYR A 15 -1.858 7.194 9.093 1.00 19.03 C ATOM 207 CE2 TYR A 15 -1.488 8.064 6.890 1.00 17.75 C ATOM 208 CZ TYR A 15 -1.921 8.237 8.191 1.00 19.84 C ATOM 209 OH TYR A 15 -2.429 9.452 8.589 1.00 23.56 O ATOM 210 HA TYR A 15 1.040 4.579 8.551 1.00 0.00 H ATOM 211 HB3 TYR A 15 -1.182 3.755 6.739 1.00 0.00 H ATOM 212 HB2 TYR A 15 0.225 4.578 6.025 1.00 0.00 H ATOM 213 HD2 TYR A 15 -0.644 6.704 5.468 1.00 0.00 H ATOM 214 HE2 TYR A 15 -1.541 8.889 6.180 1.00 0.00 H ATOM 215 HE1 TYR A 15 -2.208 7.331 10.116 1.00 0.00 H ATOM 216 HD1 TYR A 15 -1.285 5.150 9.404 1.00 0.00 H ATOM 217 HH TYR A 15 -3.223 9.672 8.040 1.00 0.00 H ATOM 218 H TYR A 15 1.497 1.968 7.231 1.00 0.00 H ATOM 219 N MET A 16 0.094 3.057 10.238 1.00 7.44 N ATOM 220 CA MET A 16 -0.497 2.234 11.278 1.00 6.15 C ATOM 221 C MET A 16 -1.128 3.097 12.359 1.00 7.44 C ATOM 222 O MET A 16 -0.848 4.291 12.462 1.00 8.10 O ATOM 223 CB MET A 16 0.568 1.313 11.870 1.00 8.17 C ATOM 224 CG MET A 16 1.158 0.364 10.830 1.00 8.60 C ATOM 225 SD MET A 16 2.208 -0.945 11.483 1.00 9.61 S ATOM 226 CE MET A 16 0.978 -1.956 12.305 1.00 9.97 C ATOM 227 HA MET A 16 -1.287 1.625 10.840 1.00 0.00 H ATOM 228 HB2 MET A 16 1.371 1.925 12.282 1.00 0.00 H ATOM 229 HB3 MET A 16 0.117 0.723 12.668 1.00 0.00 H ATOM 230 HG2 MET A 16 1.752 0.956 10.134 1.00 0.00 H ATOM 231 HG3 MET A 16 0.332 -0.103 10.294 1.00 0.00 H ATOM 232 HE1 MET A 16 0.478 -1.365 13.073 1.00 0.00 H ATOM 233 HE2 MET A 16 0.245 -2.300 11.575 1.00 0.00 H ATOM 234 HE3 MET A 16 1.465 -2.816 12.765 1.00 0.00 H ATOM 235 H MET A 16 0.806 3.768 10.501 1.00 0.00 H ATOM 236 N ILE A 17 -1.982 2.477 13.162 1.00 7.27 N ATOM 237 CA ILE A 17 -2.743 3.190 14.173 1.00 6.79 C ATOM 238 C ILE A 17 -2.748 2.329 15.432 1.00 7.51 C ATOM 239 O ILE A 17 -2.724 1.101 15.351 1.00 8.38 O ATOM 240 CB ILE A 17 -4.168 3.499 13.649 1.00 7.47 C ATOM 241 CG1 ILE A 17 -4.942 4.403 14.607 1.00 7.53 C ATOM 242 CG2 ILE A 17 -4.939 2.212 13.374 1.00 8.61 C ATOM 243 CD1 ILE A 17 -6.132 5.066 13.938 1.00 8.09 C ATOM 244 HA ILE A 17 -2.293 4.155 14.408 1.00 0.00 H ATOM 245 HB ILE A 17 -4.057 4.040 12.709 1.00 0.00 H ATOM 246 HG12 ILE A 17 -5.299 3.803 15.444 1.00 0.00 H ATOM 247 HG13 ILE A 17 -4.271 5.178 14.977 1.00 0.00 H ATOM 248 HD11 ILE A 17 -5.785 5.676 13.104 1.00 0.00 H ATOM 249 HD12 ILE A 17 -6.814 4.299 13.571 1.00 0.00 H ATOM 250 HD13 ILE A 17 -6.648 5.698 14.661 1.00 0.00 H ATOM 251 HG21 ILE A 17 -4.409 1.626 12.623 1.00 0.00 H ATOM 252 HG22 ILE A 17 -5.022 1.636 14.295 1.00 0.00 H ATOM 253 HG23 ILE A 17 -5.936 2.458 13.007 1.00 0.00 H ATOM 254 H ILE A 17 -2.111 1.450 13.065 1.00 0.00 H ATOM 255 N CYS A 18 -2.753 2.982 16.589 1.00 7.59 N ATOM 256 CA CYS A 18 -2.576 2.298 17.863 1.00 6.84 C ATOM 257 C CYS A 18 -3.861 2.319 18.684 1.00 7.89 C ATOM 258 O CYS A 18 -4.483 3.375 18.847 1.00 9.57 O ATOM 259 CB CYS A 18 -1.450 2.976 18.648 1.00 8.27 C ATOM 260 SG CYS A 18 -0.953 2.116 20.150 1.00 10.34 S ATOM 261 HA CYS A 18 -2.319 1.257 17.665 1.00 0.00 H ATOM 262 HB2 CYS A 18 -1.783 3.976 18.924 1.00 0.00 H ATOM 263 HB3 CYS A 18 -0.580 3.051 17.996 1.00 0.00 H ATOM 264 HG CYS A 18 -0.508 0.850 19.828 1.00 0.00 H ATOM 265 H CYS A 18 -2.887 4.013 16.585 1.00 0.00 H ATOM 266 N CYS A 19 -4.255 1.160 19.205 1.00 6.93 N ATOM 267 CA CYS A 19 -5.449 1.073 20.038 1.00 7.55 C ATOM 268 C CYS A 19 -5.251 1.823 21.348 1.00 8.91 C ATOM 269 O CYS A 19 -4.294 1.575 22.079 1.00 9.41 O ATOM 270 CB CYS A 19 -5.804 -0.381 20.341 1.00 7.95 C ATOM 271 SG CYS A 19 -7.298 -0.562 21.351 1.00 8.36 S ATOM 272 HA CYS A 19 -6.267 1.530 19.481 1.00 0.00 H ATOM 273 HB2 CYS A 19 -4.969 -0.837 20.873 1.00 0.00 H ATOM 274 HB3 CYS A 19 -5.960 -0.903 19.397 1.00 0.00 H ATOM 275 HG CYS A 19 -7.541 -1.902 21.574 1.00 0.00 H ATOM 276 H CYS A 19 -3.701 0.300 19.015 1.00 0.00 H ATOM 277 N ASP A 20 -6.177 2.728 21.646 1.00 8.34 N ATOM 278 CA ASP A 20 -6.067 3.557 22.834 1.00 8.59 C ATOM 279 C ASP A 20 -6.251 2.771 24.125 1.00 9.00 C ATOM 280 O ASP A 20 -5.825 3.219 25.189 1.00 9.92 O ATOM 281 CB ASP A 20 -7.059 4.713 22.757 1.00 9.57 C ATOM 282 CG ASP A 20 -6.590 5.807 21.823 1.00 10.77 C ATOM 283 OD1 ASP A 20 -5.368 6.063 21.782 1.00 14.45 O ATOM 284 OD2 ASP A 20 -7.429 6.408 21.127 1.00 11.92 O ATOM 285 HA ASP A 20 -5.051 3.951 22.858 1.00 0.00 H ATOM 286 HB2 ASP A 20 -8.016 4.332 22.399 1.00 0.00 H ATOM 287 HB3 ASP A 20 -7.187 5.133 23.755 1.00 0.00 H ATOM 288 H ASP A 20 -6.997 2.845 21.017 1.00 0.00 H ATOM 289 N LYS A 21 -6.870 1.599 24.037 1.00 9.59 N ATOM 290 CA LYS A 21 -7.052 0.767 25.220 1.00 10.57 C ATOM 291 C LYS A 21 -5.908 -0.231 25.406 1.00 10.78 C ATOM 292 O LYS A 21 -5.237 -0.221 26.438 1.00 11.41 O ATOM 293 CB LYS A 21 -8.393 0.037 25.162 1.00 11.34 C ATOM 294 CG LYS A 21 -8.615 -0.930 26.310 1.00 11.58 C ATOM 295 CD LYS A 21 -10.025 -1.472 26.294 1.00 13.07 C ATOM 296 CE LYS A 21 -10.154 -2.735 27.111 1.00 17.13 C ATOM 297 NZ LYS A 21 -11.580 -2.988 27.416 1.00 19.25 N ATOM 298 HA LYS A 21 -7.046 1.431 26.084 1.00 0.00 H ATOM 299 HB2 LYS A 21 -9.190 0.780 25.180 1.00 0.00 H ATOM 300 HB3 LYS A 21 -8.440 -0.522 24.228 1.00 0.00 H ATOM 301 HG2 LYS A 21 -7.913 -1.759 26.220 1.00 0.00 H ATOM 302 HG3 LYS A 21 -8.443 -0.411 27.253 1.00 0.00 H ATOM 303 HD2 LYS A 21 -10.697 -0.718 26.703 1.00 0.00 H ATOM 304 HD3 LYS A 21 -10.308 -1.688 25.264 1.00 0.00 H ATOM 305 HE2 LYS A 21 -9.598 -2.623 28.042 1.00 0.00 H ATOM 306 HE3 LYS A 21 -9.749 -3.575 26.547 1.00 0.00 H ATOM 307 HZ1 LYS A 21 -11.965 -2.187 27.956 1.00 0.00 H ATOM 308 HZ2 LYS A 21 -12.109 -3.096 26.527 1.00 0.00 H ATOM 309 HZ3 LYS A 21 -11.664 -3.859 27.979 1.00 0.00 H ATOM 310 H LYS A 21 -7.228 1.272 23.117 1.00 0.00 H ATOM 311 N CYS A 22 -5.675 -1.082 24.410 1.00 10.31 N ATOM 312 CA CYS A 22 -4.741 -2.200 24.579 1.00 10.45 C ATOM 313 C CYS A 22 -3.366 -1.968 23.947 1.00 11.03 C ATOM 314 O CYS A 22 -2.449 -2.765 24.144 1.00 11.27 O ATOM 315 CB CYS A 22 -5.361 -3.488 24.038 1.00 11.11 C ATOM 316 SG CYS A 22 -5.383 -3.603 22.244 1.00 9.97 S ATOM 317 HA CYS A 22 -4.565 -2.287 25.651 1.00 0.00 H ATOM 318 HB2 CYS A 22 -6.388 -3.549 24.397 1.00 0.00 H ATOM 319 HB3 CYS A 22 -4.791 -4.331 24.427 1.00 0.00 H ATOM 320 HG CYS A 22 -5.961 -4.799 21.868 1.00 0.00 H ATOM 321 H CYS A 22 -6.161 -0.953 23.500 1.00 0.00 H ATOM 322 N SER A 23 -3.238 -0.880 23.190 1.00 11.21 N ATOM 323 CA SER A 23 -1.962 -0.431 22.626 1.00 11.29 C ATOM 324 C SER A 23 -1.395 -1.256 21.470 1.00 9.16 C ATOM 325 O SER A 23 -0.252 -1.028 21.068 1.00 11.08 O ATOM 326 CB SER A 23 -0.898 -0.302 23.720 1.00 12.69 C ATOM 327 OG SER A 23 -1.270 0.668 24.676 1.00 17.17 O ATOM 328 HA SER A 23 -2.210 0.537 22.190 1.00 0.00 H ATOM 329 HB2 SER A 23 0.048 -0.010 23.265 1.00 0.00 H ATOM 330 HB3 SER A 23 -0.778 -1.265 24.217 1.00 0.00 H ATOM 331 HG SER A 23 -2.127 0.404 25.096 1.00 0.00 H ATOM 332 H SER A 23 -4.090 -0.318 22.988 1.00 0.00 H ATOM 333 N VAL A 24 -2.159 -2.195 20.916 1.00 8.74 N ATOM 334 CA VAL A 24 -1.670 -2.889 19.726 1.00 8.67 C ATOM 335 C VAL A 24 -1.754 -1.973 18.518 1.00 7.45 C ATOM 336 O VAL A 24 -2.607 -1.083 18.446 1.00 7.98 O ATOM 337 CB VAL A 24 -2.415 -4.210 19.412 1.00 8.85 C ATOM 338 CG1 VAL A 24 -2.339 -5.160 20.594 1.00 10.64 C ATOM 339 CG2 VAL A 24 -3.855 -3.952 18.991 1.00 8.66 C ATOM 340 HA VAL A 24 -0.636 -3.156 19.945 1.00 0.00 H ATOM 341 HB VAL A 24 -1.917 -4.686 18.567 1.00 0.00 H ATOM 342 HG11 VAL A 24 -1.295 -5.386 20.811 1.00 0.00 H ATOM 343 HG12 VAL A 24 -2.799 -4.692 21.464 1.00 0.00 H ATOM 344 HG13 VAL A 24 -2.869 -6.082 20.352 1.00 0.00 H ATOM 345 HG21 VAL A 24 -4.382 -3.441 19.797 1.00 0.00 H ATOM 346 HG22 VAL A 24 -3.865 -3.329 18.097 1.00 0.00 H ATOM 347 HG23 VAL A 24 -4.346 -4.902 18.779 1.00 0.00 H ATOM 348 H VAL A 24 -3.087 -2.431 21.322 1.00 0.00 H ATOM 349 N TRP A 25 -0.847 -2.197 17.577 1.00 7.54 N ATOM 350 CA TRP A 25 -0.809 -1.432 16.346 1.00 7.13 C ATOM 351 C TRP A 25 -1.458 -2.223 15.232 1.00 7.09 C ATOM 352 O TRP A 25 -1.311 -3.441 15.151 1.00 8.23 O ATOM 353 CB TRP A 25 0.632 -1.111 15.969 1.00 7.39 C ATOM 354 CG TRP A 25 1.259 -0.114 16.868 1.00 8.41 C ATOM 355 CD1 TRP A 25 1.924 -0.362 18.029 1.00 9.98 C ATOM 356 CD2 TRP A 25 1.278 1.302 16.683 1.00 8.12 C ATOM 357 NE1 TRP A 25 2.360 0.819 18.585 1.00 10.65 N ATOM 358 CE2 TRP A 25 1.978 1.855 17.773 1.00 8.67 C ATOM 359 CE3 TRP A 25 0.774 2.157 15.699 1.00 9.30 C ATOM 360 CZ2 TRP A 25 2.186 3.225 17.907 1.00 10.09 C ATOM 361 CZ3 TRP A 25 0.984 3.514 15.830 1.00 10.00 C ATOM 362 CH2 TRP A 25 1.679 4.036 16.927 1.00 10.23 C ATOM 363 HA TRP A 25 -1.353 -0.500 16.496 1.00 0.00 H ATOM 364 HB2 TRP A 25 1.215 -2.031 16.010 1.00 0.00 H ATOM 365 HB3 TRP A 25 0.646 -0.719 14.952 1.00 0.00 H ATOM 366 HE1 TRP A 25 2.891 0.910 19.474 1.00 0.00 H ATOM 367 HD1 TRP A 25 2.087 -1.351 18.456 1.00 0.00 H ATOM 368 HZ2 TRP A 25 2.730 3.635 18.757 1.00 0.00 H ATOM 369 HH2 TRP A 25 1.820 5.114 17.003 1.00 0.00 H ATOM 370 HZ3 TRP A 25 0.602 4.191 15.066 1.00 0.00 H ATOM 371 HE3 TRP A 25 0.226 1.759 14.845 1.00 0.00 H ATOM 372 H TRP A 25 -0.140 -2.945 17.727 1.00 0.00 H ATOM 373 N GLN A 26 -2.172 -1.513 14.370 1.00 7.05 N ATOM 374 CA GLN A 26 -2.874 -2.133 13.261 1.00 6.00 C ATOM 375 C GLN A 26 -2.649 -1.290 12.015 1.00 5.80 C ATOM 376 O GLN A 26 -2.353 -0.099 12.113 1.00 7.26 O ATOM 377 CB GLN A 26 -4.364 -2.235 13.581 1.00 7.06 C ATOM 378 CG GLN A 26 -4.638 -2.797 14.968 1.00 7.90 C ATOM 379 CD GLN A 26 -6.073 -3.222 15.136 1.00 8.31 C ATOM 380 OE1 GLN A 26 -6.977 -2.390 15.144 1.00 8.51 O ATOM 381 NE2 GLN A 26 -6.296 -4.528 15.250 1.00 8.01 N ATOM 382 HA GLN A 26 -2.495 -3.141 13.091 1.00 0.00 H ATOM 383 HB2 GLN A 26 -4.802 -1.239 13.517 1.00 0.00 H ATOM 384 HB3 GLN A 26 -4.834 -2.885 12.843 1.00 0.00 H ATOM 385 HG2 GLN A 26 -3.994 -3.661 15.130 1.00 0.00 H ATOM 386 HG3 GLN A 26 -4.409 -2.031 15.709 1.00 0.00 H ATOM 387 HE22 GLN A 26 -5.498 -5.195 15.238 1.00 0.00 H ATOM 388 HE21 GLN A 26 -7.268 -4.883 15.351 1.00 0.00 H ATOM 389 H GLN A 26 -2.231 -0.482 14.492 1.00 0.00 H ATOM 390 N HIS A 27 -2.766 -1.905 10.844 1.00 6.54 N ATOM 391 CA HIS A 27 -2.618 -1.174 9.588 1.00 6.86 C ATOM 392 C HIS A 27 -3.914 -0.439 9.282 1.00 7.47 C ATOM 393 O HIS A 27 -4.984 -1.043 9.304 1.00 7.46 O ATOM 394 CB HIS A 27 -2.301 -2.135 8.441 1.00 7.04 C ATOM 395 CG HIS A 27 -1.157 -3.056 8.721 1.00 6.44 C ATOM 396 ND1 HIS A 27 -1.309 -4.425 8.825 1.00 6.81 N ATOM 397 CD2 HIS A 27 0.159 -2.810 8.913 1.00 6.96 C ATOM 398 CE1 HIS A 27 -0.136 -4.977 9.076 1.00 7.37 C ATOM 399 NE2 HIS A 27 0.771 -4.022 9.131 1.00 6.92 N ATOM 400 HA HIS A 27 -1.797 -0.464 9.688 1.00 0.00 H ATOM 401 HB2 HIS A 27 -3.187 -2.738 8.243 1.00 0.00 H ATOM 402 HB3 HIS A 27 -2.059 -1.546 7.556 1.00 0.00 H ATOM 403 HD2 HIS A 27 0.644 -1.834 8.898 1.00 0.00 H ATOM 404 HE1 HIS A 27 0.051 -6.042 9.214 1.00 0.00 H ATOM 405 H HIS A 27 -2.967 -2.925 10.821 1.00 0.00 H ATOM 406 N ILE A 28 -3.846 0.856 8.992 1.00 7.60 N ATOM 407 CA ILE A 28 -5.094 1.576 8.766 1.00 7.82 C ATOM 408 C ILE A 28 -5.849 1.022 7.559 1.00 7.95 C ATOM 409 O ILE A 28 -7.074 0.986 7.570 1.00 9.12 O ATOM 410 CB ILE A 28 -4.933 3.113 8.654 1.00 10.45 C ATOM 411 CG1 ILE A 28 -4.093 3.520 7.447 1.00 12.01 C ATOM 412 CG2 ILE A 28 -4.361 3.684 9.947 1.00 9.17 C ATOM 413 CD1 ILE A 28 -4.357 4.955 7.027 1.00 13.20 C ATOM 414 HA ILE A 28 -5.686 1.404 9.665 1.00 0.00 H ATOM 415 HB ILE A 28 -5.925 3.536 8.498 1.00 0.00 H ATOM 416 HG12 ILE A 28 -3.038 3.416 7.701 1.00 0.00 H ATOM 417 HG13 ILE A 28 -4.332 2.860 6.613 1.00 0.00 H ATOM 418 HD11 ILE A 28 -5.409 5.068 6.764 1.00 0.00 H ATOM 419 HD12 ILE A 28 -4.114 5.624 7.852 1.00 0.00 H ATOM 420 HD13 ILE A 28 -3.737 5.200 6.165 1.00 0.00 H ATOM 421 HG21 ILE A 28 -5.035 3.457 10.773 1.00 0.00 H ATOM 422 HG22 ILE A 28 -3.385 3.238 10.139 1.00 0.00 H ATOM 423 HG23 ILE A 28 -4.255 4.764 9.850 1.00 0.00 H ATOM 424 H ILE A 28 -2.929 1.342 8.928 1.00 0.00 H ATOM 425 N ASP A 29 -5.139 0.563 6.533 1.00 8.21 N ATOM 426 CA ASP A 29 -5.827 0.030 5.355 1.00 9.95 C ATOM 427 C ASP A 29 -6.675 -1.178 5.732 1.00 8.38 C ATOM 428 O ASP A 29 -7.831 -1.289 5.327 1.00 10.33 O ATOM 429 CB ASP A 29 -4.845 -0.362 4.248 1.00 12.23 C ATOM 430 CG ASP A 29 -4.218 0.834 3.566 1.00 15.59 C ATOM 431 OD1 ASP A 29 -4.622 1.985 3.848 1.00 16.37 O ATOM 432 OD2 ASP A 29 -3.322 0.615 2.724 1.00 16.51 O ATOM 433 HA ASP A 29 -6.470 0.824 4.974 1.00 0.00 H ATOM 434 HB2 ASP A 29 -4.052 -0.969 4.685 1.00 0.00 H ATOM 435 HB3 ASP A 29 -5.379 -0.948 3.500 1.00 0.00 H ATOM 436 H ASP A 29 -4.100 0.582 6.567 1.00 0.00 H ATOM 437 N CYS A 30 -6.089 -2.082 6.509 1.00 7.21 N ATOM 438 CA CYS A 30 -6.782 -3.284 6.949 1.00 7.12 C ATOM 439 C CYS A 30 -8.035 -2.959 7.740 1.00 7.99 C ATOM 440 O CYS A 30 -9.062 -3.626 7.593 1.00 9.69 O ATOM 441 CB CYS A 30 -5.860 -4.130 7.821 1.00 7.11 C ATOM 442 SG CYS A 30 -4.444 -4.768 6.937 1.00 7.15 S ATOM 443 HA CYS A 30 -7.070 -3.834 6.053 1.00 0.00 H ATOM 444 HB2 CYS A 30 -6.431 -4.971 8.215 1.00 0.00 H ATOM 445 HB3 CYS A 30 -5.504 -3.515 8.648 1.00 0.00 H ATOM 446 HG CYS A 30 -3.667 -5.518 7.796 1.00 0.00 H ATOM 447 H CYS A 30 -5.106 -1.926 6.812 1.00 0.00 H ATOM 448 N MET A 31 -7.947 -1.935 8.584 1.00 7.08 N ATOM 449 CA MET A 31 -9.031 -1.612 9.502 1.00 7.23 C ATOM 450 C MET A 31 -10.057 -0.677 8.864 1.00 8.73 C ATOM 451 O MET A 31 -11.031 -0.286 9.504 1.00 10.24 O ATOM 452 CB MET A 31 -8.457 -0.995 10.779 1.00 7.87 C ATOM 453 CG MET A 31 -7.409 -1.870 11.457 1.00 7.30 C ATOM 454 SD MET A 31 -7.954 -3.566 11.743 1.00 8.11 S ATOM 455 CE MET A 31 -9.273 -3.322 12.928 1.00 9.34 C ATOM 456 HA MET A 31 -9.553 -2.536 9.750 1.00 0.00 H ATOM 457 HB2 MET A 31 -7.998 -0.040 10.525 1.00 0.00 H ATOM 458 HB3 MET A 31 -9.275 -0.829 11.480 1.00 0.00 H ATOM 459 HG2 MET A 31 -7.157 -1.423 12.418 1.00 0.00 H ATOM 460 HG3 MET A 31 -6.521 -1.896 10.825 1.00 0.00 H ATOM 461 HE1 MET A 31 -8.873 -2.841 13.821 1.00 0.00 H ATOM 462 HE2 MET A 31 -10.044 -2.690 12.487 1.00 0.00 H ATOM 463 HE3 MET A 31 -9.703 -4.287 13.196 1.00 0.00 H ATOM 464 H MET A 31 -7.086 -1.352 8.589 1.00 0.00 H ATOM 465 N GLY A 32 -9.837 -0.329 7.599 1.00 9.44 N ATOM 466 CA GLY A 32 -10.763 0.509 6.862 1.00 11.98 C ATOM 467 C GLY A 32 -10.788 1.945 7.352 1.00 12.61 C ATOM 468 O GLY A 32 -11.798 2.639 7.216 1.00 15.84 O ATOM 469 HA3 GLY A 32 -11.765 0.091 6.962 1.00 0.00 H ATOM 470 HA2 GLY A 32 -10.473 0.506 5.811 1.00 0.00 H ATOM 471 H GLY A 32 -8.976 -0.668 7.125 1.00 0.00 H ATOM 472 N ILE A 33 -9.673 2.389 7.925 1.00 11.95 N ATOM 473 CA ILE A 33 -9.539 3.760 8.397 1.00 12.50 C ATOM 474 C ILE A 33 -8.967 4.610 7.268 1.00 14.10 C ATOM 475 O ILE A 33 -7.891 4.322 6.741 1.00 14.92 O ATOM 476 CB ILE A 33 -8.613 3.859 9.629 1.00 15.22 C ATOM 477 CG1 ILE A 33 -9.164 3.031 10.794 1.00 17.78 C ATOM 478 CG2 ILE A 33 -8.445 5.312 10.052 1.00 16.86 C ATOM 479 CD1 ILE A 33 -10.228 3.736 11.613 1.00 20.79 C ATOM 480 HA ILE A 33 -10.525 4.117 8.695 1.00 0.00 H ATOM 481 HB ILE A 33 -7.638 3.457 9.353 1.00 0.00 H ATOM 482 HG12 ILE A 33 -9.596 2.116 10.389 1.00 0.00 H ATOM 483 HG13 ILE A 33 -8.335 2.778 11.456 1.00 0.00 H ATOM 484 HD11 ILE A 33 -9.811 4.649 12.039 1.00 0.00 H ATOM 485 HD12 ILE A 33 -11.073 3.986 10.971 1.00 0.00 H ATOM 486 HD13 ILE A 33 -10.562 3.078 12.416 1.00 0.00 H ATOM 487 HG21 ILE A 33 -8.006 5.880 9.231 1.00 0.00 H ATOM 488 HG22 ILE A 33 -9.419 5.730 10.305 1.00 0.00 H ATOM 489 HG23 ILE A 33 -7.789 5.363 10.921 1.00 0.00 H ATOM 490 H ILE A 33 -8.871 1.736 8.040 1.00 0.00 H ATOM 491 N ASP A 34 -9.701 5.650 6.893 1.00 16.76 N ATOM 492 CA ASP A 34 -9.284 6.535 5.813 1.00 17.94 C ATOM 493 C ASP A 34 -8.255 7.536 6.334 1.00 17.02 C ATOM 494 O ASP A 34 -8.493 8.208 7.337 1.00 17.39 O ATOM 495 CB ASP A 34 -10.501 7.262 5.239 1.00 20.26 C ATOM 496 CG ASP A 34 -10.207 7.944 3.919 1.00 24.07 C ATOM 497 OD1 ASP A 34 -9.154 8.608 3.812 1.00 23.56 O ATOM 498 OD2 ASP A 34 -11.026 7.802 2.985 1.00 29.79 O ATOM 499 HA ASP A 34 -8.825 5.947 5.018 1.00 0.00 H ATOM 500 HB2 ASP A 34 -11.301 6.537 5.087 1.00 0.00 H ATOM 501 HB3 ASP A 34 -10.827 8.015 5.956 1.00 0.00 H ATOM 502 H ASP A 34 -10.599 5.839 7.383 1.00 0.00 H ATOM 503 N ARG A 35 -7.111 7.630 5.658 1.00 17.03 N ATOM 504 CA ARG A 35 -6.019 8.488 6.120 1.00 17.71 C ATOM 505 C ARG A 35 -6.450 9.950 6.210 1.00 17.01 C ATOM 506 O ARG A 35 -5.819 10.747 6.901 1.00 19.05 O ATOM 507 CB ARG A 35 -4.785 8.347 5.216 1.00 21.84 C ATOM 508 CG ARG A 35 -5.009 8.774 3.775 1.00 26.81 C ATOM 509 CD ARG A 35 -3.758 8.598 2.908 1.00 33.89 C ATOM 510 NE ARG A 35 -3.028 7.359 3.171 1.00 40.78 N ATOM 511 CZ ARG A 35 -3.497 6.136 2.938 1.00 44.57 C ATOM 512 NH1 ARG A 35 -4.722 5.972 2.445 1.00 47.36 N ATOM 513 NH2 ARG A 35 -2.734 5.085 3.214 1.00 43.03 N ATOM 514 HA ARG A 35 -5.752 8.156 7.123 1.00 0.00 H ATOM 515 HB2 ARG A 35 -3.985 8.959 5.633 1.00 0.00 H ATOM 516 HB3 ARG A 35 -4.479 7.301 5.218 1.00 0.00 H ATOM 517 HG2 ARG A 35 -5.814 8.172 3.353 1.00 0.00 H ATOM 518 HG3 ARG A 35 -5.298 9.825 3.763 1.00 0.00 H ATOM 519 HD2 ARG A 35 -3.089 9.438 3.095 1.00 0.00 H ATOM 520 HD3 ARG A 35 -4.061 8.603 1.861 1.00 0.00 H ATOM 521 HE ARG A 35 -2.071 7.440 3.570 1.00 0.00 H ATOM 522 HH12 ARG A 35 -5.086 5.015 2.264 1.00 0.00 H ATOM 523 HH11 ARG A 35 -5.316 6.801 2.241 1.00 0.00 H ATOM 524 HH22 ARG A 35 -3.089 4.124 3.036 1.00 0.00 H ATOM 525 HH21 ARG A 35 -1.781 5.223 3.608 1.00 0.00 H ATOM 526 H ARG A 35 -6.991 7.082 4.783 1.00 0.00 H ATOM 527 N GLN A 36 -7.531 10.296 5.518 1.00 18.71 N ATOM 528 CA GLN A 36 -8.066 11.658 5.557 1.00 22.39 C ATOM 529 C GLN A 36 -9.069 11.867 6.690 1.00 24.56 C ATOM 530 O GLN A 36 -9.534 12.984 6.909 1.00 29.86 O ATOM 531 CB GLN A 36 -8.746 11.991 4.231 1.00 26.72 C ATOM 532 CG GLN A 36 -7.808 11.983 3.041 1.00 30.92 C ATOM 533 CD GLN A 36 -8.362 12.752 1.862 1.00 37.08 C ATOM 534 OE1 GLN A 36 -9.378 12.370 1.279 1.00 38.79 O ATOM 535 NE2 GLN A 36 -7.701 13.849 1.506 1.00 39.69 N ATOM 536 HA GLN A 36 -7.218 12.320 5.733 1.00 0.00 H ATOM 537 HB2 GLN A 36 -9.532 11.257 4.054 1.00 0.00 H ATOM 538 HB3 GLN A 36 -9.190 12.983 4.312 1.00 0.00 H ATOM 539 HG2 GLN A 36 -6.861 12.433 3.339 1.00 0.00 H ATOM 540 HG3 GLN A 36 -7.638 10.950 2.736 1.00 0.00 H ATOM 541 HE22 GLN A 36 -6.847 14.134 2.027 1.00 0.00 H ATOM 542 HE21 GLN A 36 -8.038 14.422 0.706 1.00 0.00 H ATOM 543 H GLN A 36 -8.009 9.581 4.934 1.00 0.00 H ATOM 544 N HIS A 37 -9.399 10.796 7.406 1.00 24.50 N ATOM 545 CA HIS A 37 -10.458 10.840 8.412 1.00 25.52 C ATOM 546 C HIS A 37 -10.051 10.093 9.677 1.00 21.87 C ATOM 547 O HIS A 37 -10.830 9.295 10.198 1.00 22.37 O ATOM 548 CB HIS A 37 -11.741 10.182 7.885 1.00 29.25 C ATOM 549 CG HIS A 37 -12.422 10.936 6.786 1.00 33.76 C ATOM 550 ND1 HIS A 37 -12.200 10.671 5.449 1.00 34.78 N ATOM 551 CD2 HIS A 37 -13.351 11.920 6.821 1.00 36.02 C ATOM 552 CE1 HIS A 37 -12.946 11.473 4.713 1.00 35.26 C ATOM 553 NE2 HIS A 37 -13.658 12.240 5.521 1.00 36.39 N ATOM 554 HA HIS A 37 -10.631 11.893 8.636 1.00 0.00 H ATOM 555 HB2 HIS A 37 -11.486 9.191 7.510 1.00 0.00 H ATOM 556 HB3 HIS A 37 -12.440 10.086 8.716 1.00 0.00 H ATOM 557 HD2 HIS A 37 -13.777 12.374 7.716 1.00 0.00 H ATOM 558 HE1 HIS A 37 -12.971 11.499 3.624 1.00 0.00 H ATOM 559 H HIS A 37 -8.890 9.903 7.246 1.00 0.00 H ATOM 560 N ILE A 38 -8.842 10.333 10.172 1.00 19.70 N ATOM 561 CA ILE A 38 -8.384 9.630 11.364 1.00 15.99 C ATOM 562 C ILE A 38 -9.190 10.112 12.563 1.00 13.00 C ATOM 563 O ILE A 38 -9.292 11.316 12.792 1.00 14.01 O ATOM 564 CB ILE A 38 -6.888 9.866 11.645 1.00 16.84 C ATOM 565 CG1 ILE A 38 -6.035 9.496 10.425 1.00 19.15 C ATOM 566 CG2 ILE A 38 -6.453 9.065 12.864 1.00 15.76 C ATOM 567 CD1 ILE A 38 -5.992 8.014 10.118 1.00 19.64 C ATOM 568 HA ILE A 38 -8.527 8.563 11.194 1.00 0.00 H ATOM 569 HB ILE A 38 -6.739 10.926 11.849 1.00 0.00 H ATOM 570 HG12 ILE A 38 -6.441 10.013 9.555 1.00 0.00 H ATOM 571 HG13 ILE A 38 -5.015 9.837 10.606 1.00 0.00 H ATOM 572 HD11 ILE A 38 -5.576 7.479 10.972 1.00 0.00 H ATOM 573 HD12 ILE A 38 -7.002 7.656 9.921 1.00 0.00 H ATOM 574 HD13 ILE A 38 -5.367 7.844 9.241 1.00 0.00 H ATOM 575 HG21 ILE A 38 -7.035 9.380 13.730 1.00 0.00 H ATOM 576 HG22 ILE A 38 -6.620 8.004 12.679 1.00 0.00 H ATOM 577 HG23 ILE A 38 -5.394 9.240 13.053 1.00 0.00 H ATOM 578 H ILE A 38 -8.220 11.025 9.707 1.00 0.00 H ATOM 579 N PRO A 39 -9.774 9.178 13.329 1.00 12.32 N ATOM 580 CA PRO A 39 -10.585 9.555 14.491 1.00 13.04 C ATOM 581 C PRO A 39 -9.731 10.054 15.656 1.00 12.76 C ATOM 582 O PRO A 39 -8.545 9.745 15.720 1.00 12.78 O ATOM 583 CB PRO A 39 -11.281 8.244 14.861 1.00 15.20 C ATOM 584 CG PRO A 39 -10.324 7.195 14.431 1.00 15.13 C ATOM 585 CD PRO A 39 -9.725 7.715 13.153 1.00 13.64 C ATOM 586 HA PRO A 39 -11.269 10.375 14.271 1.00 0.00 H ATOM 587 HD3 PRO A 39 -8.698 7.370 13.033 1.00 0.00 H ATOM 588 HD2 PRO A 39 -10.314 7.405 12.290 1.00 0.00 H ATOM 589 HG3 PRO A 39 -10.842 6.252 14.256 1.00 0.00 H ATOM 590 HG2 PRO A 39 -9.551 7.049 15.185 1.00 0.00 H ATOM 591 HB2 PRO A 39 -11.459 8.189 15.935 1.00 0.00 H ATOM 592 HB3 PRO A 39 -12.228 8.145 14.331 1.00 0.00 H ATOM 593 N ASP A 40 -10.329 10.820 16.563 1.00 13.91 N ATOM 594 CA ASP A 40 -9.609 11.308 17.734 1.00 14.02 C ATOM 595 C ASP A 40 -9.208 10.152 18.635 1.00 11.73 C ATOM 596 O ASP A 40 -8.077 10.091 19.121 1.00 11.52 O ATOM 597 CB ASP A 40 -10.470 12.296 18.516 1.00 18.31 C ATOM 598 CG ASP A 40 -10.467 13.680 17.906 1.00 23.60 C ATOM 599 OD1 ASP A 40 -9.699 13.912 16.947 1.00 26.00 O ATOM 600 OD2 ASP A 40 -11.221 14.541 18.404 1.00 25.57 O ATOM 601 HA ASP A 40 -8.708 11.816 17.391 1.00 0.00 H ATOM 602 HB2 ASP A 40 -11.495 11.926 18.537 1.00 0.00 H ATOM 603 HB3 ASP A 40 -10.088 12.362 19.535 1.00 0.00 H ATOM 604 H ASP A 40 -11.329 11.076 16.435 1.00 0.00 H ATOM 605 N THR A 41 -10.149 9.241 18.853 1.00 11.42 N ATOM 606 CA THR A 41 -9.921 8.065 19.676 1.00 11.79 C ATOM 607 C THR A 41 -10.062 6.839 18.791 1.00 11.95 C ATOM 608 O THR A 41 -10.954 6.779 17.949 1.00 15.24 O ATOM 609 CB THR A 41 -10.946 7.979 20.827 1.00 12.76 C ATOM 610 OG1 THR A 41 -10.760 9.083 21.723 1.00 13.69 O ATOM 611 CG2 THR A 41 -10.798 6.677 21.603 1.00 14.89 C ATOM 612 HA THR A 41 -8.925 8.124 20.116 1.00 0.00 H ATOM 613 HB THR A 41 -11.945 8.012 20.391 1.00 0.00 H ATOM 614 HG1 THR A 41 -10.889 9.932 21.230 1.00 0.00 H ATOM 615 HG23 THR A 41 -10.939 5.834 20.926 1.00 0.00 H ATOM 616 HG21 THR A 41 -9.802 6.629 22.043 1.00 0.00 H ATOM 617 HG22 THR A 41 -11.548 6.639 22.393 1.00 0.00 H ATOM 618 H THR A 41 -11.084 9.374 18.418 1.00 0.00 H ATOM 619 N TYR A 42 -9.179 5.862 18.969 1.00 9.84 N ATOM 620 CA TYR A 42 -9.253 4.644 18.173 1.00 8.80 C ATOM 621 C TYR A 42 -9.161 3.405 19.042 1.00 8.50 C ATOM 622 O TYR A 42 -8.267 3.292 19.876 1.00 8.58 O ATOM 623 CB TYR A 42 -8.144 4.586 17.121 1.00 8.60 C ATOM 624 CG TYR A 42 -8.171 3.277 16.366 1.00 8.35 C ATOM 625 CD1 TYR A 42 -9.071 3.074 15.336 1.00 8.72 C ATOM 626 CD2 TYR A 42 -7.329 2.232 16.709 1.00 8.32 C ATOM 627 CE1 TYR A 42 -9.127 1.879 14.656 1.00 7.64 C ATOM 628 CE2 TYR A 42 -7.376 1.019 16.029 1.00 8.45 C ATOM 629 CZ TYR A 42 -8.283 0.855 15.003 1.00 8.32 C ATOM 630 OH TYR A 42 -8.357 -0.333 14.307 1.00 9.67 O ATOM 631 HA TYR A 42 -10.221 4.666 17.673 1.00 0.00 H ATOM 632 HB3 TYR A 42 -7.179 4.691 17.616 1.00 0.00 H ATOM 633 HB2 TYR A 42 -8.280 5.406 16.416 1.00 0.00 H ATOM 634 HD2 TYR A 42 -6.618 2.362 17.525 1.00 0.00 H ATOM 635 HE2 TYR A 42 -6.703 0.207 16.304 1.00 0.00 H ATOM 636 HE1 TYR A 42 -9.841 1.746 13.843 1.00 0.00 H ATOM 637 HD1 TYR A 42 -9.751 3.879 15.056 1.00 0.00 H ATOM 638 HH TYR A 42 -8.579 -1.067 14.933 1.00 0.00 H ATOM 639 H TYR A 42 -8.429 5.968 19.682 1.00 0.00 H ATOM 640 N LEU A 43 -10.089 2.477 18.832 1.00 8.82 N ATOM 641 CA LEU A 43 -10.044 1.174 19.487 1.00 8.25 C ATOM 642 C LEU A 43 -9.986 0.068 18.444 1.00 7.98 C ATOM 643 O LEU A 43 -10.649 0.144 17.406 1.00 8.49 O ATOM 644 CB LEU A 43 -11.274 0.963 20.367 1.00 10.69 C ATOM 645 CG LEU A 43 -11.450 1.920 21.543 1.00 15.02 C ATOM 646 CD1 LEU A 43 -12.734 1.586 22.279 1.00 16.81 C ATOM 647 CD2 LEU A 43 -10.253 1.843 22.475 1.00 17.83 C ATOM 648 HA LEU A 43 -9.151 1.143 20.111 1.00 0.00 H ATOM 649 HB2 LEU A 43 -12.155 1.055 19.731 1.00 0.00 H ATOM 650 HB3 LEU A 43 -11.223 -0.049 20.769 1.00 0.00 H ATOM 651 HG LEU A 43 -11.515 2.942 21.169 1.00 0.00 H ATOM 652 HD21 LEU A 43 -10.156 0.826 22.856 1.00 0.00 H ATOM 653 HD22 LEU A 43 -9.350 2.115 21.928 1.00 0.00 H ATOM 654 HD23 LEU A 43 -10.397 2.532 23.307 1.00 0.00 H ATOM 655 HD11 LEU A 43 -13.579 1.687 21.598 1.00 0.00 H ATOM 656 HD12 LEU A 43 -12.684 0.562 22.648 1.00 0.00 H ATOM 657 HD13 LEU A 43 -12.859 2.270 23.118 1.00 0.00 H ATOM 658 H LEU A 43 -10.872 2.686 18.180 1.00 0.00 H ATOM 659 N CYS A 44 -9.191 -0.959 18.725 1.00 8.38 N ATOM 660 CA CYS A 44 -9.097 -2.116 17.845 1.00 9.25 C ATOM 661 C CYS A 44 -10.406 -2.909 17.850 1.00 9.85 C ATOM 662 O CYS A 44 -11.346 -2.589 18.588 1.00 8.71 O ATOM 663 CB CYS A 44 -7.926 -3.020 18.244 1.00 8.00 C ATOM 664 SG CYS A 44 -8.202 -4.009 19.732 1.00 9.44 S ATOM 665 HA CYS A 44 -8.916 -1.750 16.834 1.00 0.00 H ATOM 666 HB2 CYS A 44 -7.053 -2.389 18.413 1.00 0.00 H ATOM 667 HB3 CYS A 44 -7.726 -3.701 17.417 1.00 0.00 H ATOM 668 HG CYS A 44 -8.440 -3.171 20.802 1.00 0.00 H ATOM 669 H CYS A 44 -8.622 -0.936 19.595 1.00 0.00 H ATOM 670 N GLU A 45 -10.459 -3.948 17.027 1.00 10.37 N ATOM 671 CA GLU A 45 -11.696 -4.693 16.823 1.00 11.12 C ATOM 672 C GLU A 45 -11.980 -5.688 17.948 1.00 11.27 C ATOM 673 O GLU A 45 -13.032 -6.324 17.972 1.00 13.50 O ATOM 674 CB GLU A 45 -11.693 -5.383 15.451 1.00 11.39 C ATOM 675 CG GLU A 45 -11.051 -6.762 15.390 1.00 12.06 C ATOM 676 CD GLU A 45 -9.571 -6.772 15.709 1.00 12.30 C ATOM 677 OE1 GLU A 45 -8.960 -5.689 15.852 1.00 12.68 O ATOM 678 OE2 GLU A 45 -9.012 -7.883 15.809 1.00 12.95 O ATOM 679 HA GLU A 45 -12.511 -3.970 16.844 1.00 0.00 H ATOM 680 HB2 GLU A 45 -12.729 -5.484 15.128 1.00 0.00 H ATOM 681 HB3 GLU A 45 -11.158 -4.737 14.755 1.00 0.00 H ATOM 682 HG2 GLU A 45 -11.560 -7.408 16.105 1.00 0.00 H ATOM 683 HG3 GLU A 45 -11.187 -7.158 14.384 1.00 0.00 H ATOM 684 H GLU A 45 -9.600 -4.237 16.517 1.00 0.00 H ATOM 685 N ARG A 46 -11.049 -5.823 18.884 1.00 10.62 N ATOM 686 CA ARG A 46 -11.320 -6.597 20.089 1.00 13.03 C ATOM 687 C ARG A 46 -11.818 -5.705 21.209 1.00 12.21 C ATOM 688 O ARG A 46 -12.697 -6.095 21.977 1.00 15.16 O ATOM 689 CB ARG A 46 -10.072 -7.327 20.551 1.00 16.44 C ATOM 690 CG ARG A 46 -9.664 -8.452 19.644 1.00 19.92 C ATOM 691 CD ARG A 46 -8.596 -9.271 20.310 1.00 25.83 C ATOM 692 NE ARG A 46 -8.211 -10.436 19.524 1.00 30.72 N ATOM 693 CZ ARG A 46 -7.212 -11.245 19.858 1.00 31.75 C ATOM 694 NH1 ARG A 46 -6.503 -10.998 20.954 1.00 31.95 N ATOM 695 NH2 ARG A 46 -6.913 -12.289 19.100 1.00 33.27 N ATOM 696 HA ARG A 46 -12.094 -7.324 19.843 1.00 0.00 H ATOM 697 HB2 ARG A 46 -9.252 -6.610 20.602 1.00 0.00 H ATOM 698 HB3 ARG A 46 -10.259 -7.735 21.544 1.00 0.00 H ATOM 699 HG2 ARG A 46 -10.528 -9.082 19.435 1.00 0.00 H ATOM 700 HG3 ARG A 46 -9.279 -8.044 18.709 1.00 0.00 H ATOM 701 HD2 ARG A 46 -8.967 -9.609 21.277 1.00 0.00 H ATOM 702 HD3 ARG A 46 -7.717 -8.644 20.459 1.00 0.00 H ATOM 703 HE ARG A 46 -8.746 -10.645 18.657 1.00 0.00 H ATOM 704 HH12 ARG A 46 -5.720 -11.629 21.220 1.00 0.00 H ATOM 705 HH11 ARG A 46 -6.731 -10.174 21.546 1.00 0.00 H ATOM 706 HH22 ARG A 46 -6.129 -12.918 19.367 1.00 0.00 H ATOM 707 HH21 ARG A 46 -7.462 -12.479 18.237 1.00 0.00 H ATOM 708 H ARG A 46 -10.120 -5.374 18.757 1.00 0.00 H ATOM 709 N CYS A 47 -11.248 -4.509 21.305 1.00 10.95 N ATOM 710 CA CYS A 47 -11.626 -3.570 22.350 1.00 10.13 C ATOM 711 C CYS A 47 -12.954 -2.898 22.020 1.00 11.47 C ATOM 712 O CYS A 47 -13.674 -2.451 22.913 1.00 13.01 O ATOM 713 CB CYS A 47 -10.523 -2.531 22.550 1.00 10.29 C ATOM 714 SG CYS A 47 -9.010 -3.214 23.292 1.00 10.67 S ATOM 715 HA CYS A 47 -11.754 -4.121 23.282 1.00 0.00 H ATOM 716 HB2 CYS A 47 -10.903 -1.745 23.202 1.00 0.00 H ATOM 717 HB3 CYS A 47 -10.270 -2.105 21.579 1.00 0.00 H ATOM 718 HG CYS A 47 -8.504 -4.203 22.473 1.00 0.00 H ATOM 719 H CYS A 47 -10.516 -4.238 20.618 1.00 0.00 H ATOM 720 N GLN A 48 -13.271 -2.843 20.731 1.00 12.40 N ATOM 721 CA GLN A 48 -14.555 -2.345 20.258 1.00 13.26 C ATOM 722 C GLN A 48 -15.028 -3.287 19.161 1.00 13.45 C ATOM 723 O GLN A 48 -14.819 -3.032 17.971 1.00 12.01 O ATOM 724 CB GLN A 48 -14.427 -0.921 19.718 1.00 14.46 C ATOM 725 CG GLN A 48 -15.731 -0.323 19.223 1.00 20.38 C ATOM 726 CD GLN A 48 -15.500 0.792 18.226 1.00 26.10 C ATOM 727 OE1 GLN A 48 -14.525 1.538 18.332 1.00 26.31 O ATOM 728 NE2 GLN A 48 -16.391 0.910 17.249 1.00 30.97 N ATOM 729 HA GLN A 48 -15.272 -2.313 21.079 1.00 0.00 H ATOM 730 HB2 GLN A 48 -14.041 -0.286 20.515 1.00 0.00 H ATOM 731 HB3 GLN A 48 -13.719 -0.932 18.889 1.00 0.00 H ATOM 732 HG2 GLN A 48 -16.319 -1.107 18.745 1.00 0.00 H ATOM 733 HG3 GLN A 48 -16.282 0.075 20.075 1.00 0.00 H ATOM 734 HE22 GLN A 48 -17.199 0.257 17.200 1.00 0.00 H ATOM 735 HE21 GLN A 48 -16.281 1.656 16.532 1.00 0.00 H ATOM 736 H GLN A 48 -12.574 -3.169 20.031 1.00 0.00 H ATOM 737 N PRO A 49 -15.649 -4.403 19.558 1.00 14.88 N ATOM 738 CA PRO A 49 -16.004 -5.441 18.591 1.00 14.49 C ATOM 739 C PRO A 49 -16.828 -4.923 17.423 1.00 13.00 C ATOM 740 O PRO A 49 -17.794 -4.175 17.586 1.00 14.76 O ATOM 741 CB PRO A 49 -16.791 -6.442 19.436 1.00 16.49 C ATOM 742 CG PRO A 49 -16.216 -6.281 20.799 1.00 17.05 C ATOM 743 CD PRO A 49 -15.987 -4.805 20.932 1.00 17.04 C ATOM 744 HA PRO A 49 -15.124 -5.868 18.109 1.00 0.00 H ATOM 745 HD3 PRO A 49 -16.887 -4.297 21.280 1.00 0.00 H ATOM 746 HD2 PRO A 49 -15.165 -4.595 21.616 1.00 0.00 H ATOM 747 HG3 PRO A 49 -15.277 -6.828 20.890 1.00 0.00 H ATOM 748 HG2 PRO A 49 -16.915 -6.634 21.557 1.00 0.00 H ATOM 749 HB2 PRO A 49 -17.855 -6.204 19.432 1.00 0.00 H ATOM 750 HB3 PRO A 49 -16.646 -7.459 19.070 1.00 0.00 H ATOM 751 N ARG A 50 -16.411 -5.330 16.233 1.00 12.11 N ATOM 752 CA ARG A 50 -17.077 -4.949 15.009 1.00 11.89 C ATOM 753 C ARG A 50 -16.580 -5.866 13.914 1.00 13.22 C ATOM 754 O ARG A 50 -15.511 -6.466 14.034 1.00 15.72 O ATOM 755 CB ARG A 50 -16.781 -3.493 14.659 1.00 12.01 C ATOM 756 CG ARG A 50 -15.308 -3.176 14.441 1.00 11.94 C ATOM 757 CD ARG A 50 -15.108 -1.672 14.422 1.00 11.55 C ATOM 758 NE ARG A 50 -13.733 -1.265 14.140 1.00 10.16 N ATOM 759 CZ ARG A 50 -12.774 -1.139 15.055 1.00 10.85 C ATOM 760 NH1 ARG A 50 -13.017 -1.408 16.332 1.00 10.40 N ATOM 761 NH2 ARG A 50 -11.561 -0.741 14.690 1.00 10.34 N ATOM 762 HA ARG A 50 -18.157 -5.041 15.125 1.00 0.00 H ATOM 763 HB2 ARG A 50 -17.320 -3.247 13.744 1.00 0.00 H ATOM 764 HB3 ARG A 50 -17.146 -2.867 15.473 1.00 0.00 H ATOM 765 HG2 ARG A 50 -14.720 -3.610 15.249 1.00 0.00 H ATOM 766 HG3 ARG A 50 -14.983 -3.597 13.490 1.00 0.00 H ATOM 767 HD2 ARG A 50 -15.392 -1.275 15.397 1.00 0.00 H ATOM 768 HD3 ARG A 50 -15.757 -1.248 13.655 1.00 0.00 H ATOM 769 HE ARG A 50 -13.485 -1.058 13.151 1.00 0.00 H ATOM 770 HH12 ARG A 50 -12.260 -1.306 17.038 1.00 0.00 H ATOM 771 HH11 ARG A 50 -13.964 -1.721 16.626 1.00 0.00 H ATOM 772 HH22 ARG A 50 -10.810 -0.642 15.403 1.00 0.00 H ATOM 773 HH21 ARG A 50 -11.362 -0.529 13.692 1.00 0.00 H ATOM 774 H ARG A 50 -15.575 -5.946 16.178 1.00 0.00 H ATOM 775 N ASN A 51 -17.357 -5.981 12.846 1.00 14.24 N ATOM 776 CA ASN A 51 -16.999 -6.874 11.759 1.00 15.05 C ATOM 777 C ASN A 51 -16.209 -6.161 10.676 1.00 13.57 C ATOM 778 O ASN A 51 -16.528 -5.036 10.288 1.00 14.17 O ATOM 779 CB ASN A 51 -18.250 -7.524 11.177 1.00 17.81 C ATOM 780 CG ASN A 51 -18.930 -8.446 12.165 1.00 21.32 C ATOM 781 OD1 ASN A 51 -18.274 -9.052 13.015 1.00 23.84 O ATOM 782 ND2 ASN A 51 -20.247 -8.552 12.071 1.00 21.10 N ATOM 783 HA ASN A 51 -16.354 -7.652 12.168 1.00 0.00 H ATOM 784 HB2 ASN A 51 -18.951 -6.740 10.889 1.00 0.00 H ATOM 785 HB3 ASN A 51 -17.968 -8.100 10.296 1.00 0.00 H ATOM 786 HD22 ASN A 51 -20.760 -8.022 11.338 1.00 0.00 H ATOM 787 HD21 ASN A 51 -20.768 -9.165 12.730 1.00 0.00 H ATOM 788 H ASN A 51 -18.234 -5.425 12.786 1.00 0.00 H ATOM 789 N LEU A 52 -15.164 -6.832 10.203 1.00 12.75 N ATOM 790 CA LEU A 52 -14.316 -6.311 9.148 1.00 13.27 C ATOM 791 C LEU A 52 -13.986 -7.441 8.188 1.00 14.00 C ATOM 792 O LEU A 52 -14.098 -8.615 8.543 1.00 16.13 O ATOM 793 CB LEU A 52 -13.042 -5.736 9.758 1.00 14.15 C ATOM 794 CG LEU A 52 -13.343 -4.649 10.791 1.00 18.42 C ATOM 795 CD1 LEU A 52 -12.280 -4.598 11.873 1.00 21.81 C ATOM 796 CD2 LEU A 52 -13.492 -3.300 10.105 1.00 23.04 C ATOM 797 HA LEU A 52 -14.828 -5.516 8.606 1.00 0.00 H ATOM 798 HB2 LEU A 52 -12.490 -6.540 10.244 1.00 0.00 H ATOM 799 HB3 LEU A 52 -12.433 -5.307 8.962 1.00 0.00 H ATOM 800 HG LEU A 52 -14.286 -4.897 11.279 1.00 0.00 H ATOM 801 HD21 LEU A 52 -12.566 -3.053 9.586 1.00 0.00 H ATOM 802 HD22 LEU A 52 -14.311 -3.347 9.387 1.00 0.00 H ATOM 803 HD23 LEU A 52 -13.706 -2.536 10.852 1.00 0.00 H ATOM 804 HD11 LEU A 52 -12.239 -5.559 12.386 1.00 0.00 H ATOM 805 HD12 LEU A 52 -11.312 -4.385 11.420 1.00 0.00 H ATOM 806 HD13 LEU A 52 -12.529 -3.814 12.588 1.00 0.00 H ATOM 807 H LEU A 52 -14.946 -7.766 10.605 1.00 0.00 H ATOM 808 N ASP A 53 -13.602 -7.083 6.967 1.00 12.59 N ATOM 809 CA ASP A 53 -13.256 -8.069 5.954 1.00 12.02 C ATOM 810 C ASP A 53 -11.782 -8.462 6.113 1.00 9.82 C ATOM 811 O ASP A 53 -10.868 -7.743 5.696 1.00 9.54 O ATOM 812 CB ASP A 53 -13.566 -7.518 4.558 1.00 12.71 C ATOM 813 CG ASP A 53 -13.350 -8.541 3.455 1.00 14.13 C ATOM 814 OD1 ASP A 53 -12.620 -9.526 3.679 1.00 14.22 O ATOM 815 OD2 ASP A 53 -13.906 -8.346 2.352 1.00 18.08 O ATOM 816 HA ASP A 53 -13.857 -8.969 6.082 1.00 0.00 H ATOM 817 HB2 ASP A 53 -14.607 -7.196 4.535 1.00 0.00 H ATOM 818 HB3 ASP A 53 -12.918 -6.662 4.370 1.00 0.00 H ATOM 819 H ASP A 53 -13.547 -6.072 6.729 1.00 0.00 H ATOM 820 N LYS A 54 -11.568 -9.608 6.747 1.00 10.44 N ATOM 821 CA LYS A 54 -10.229 -10.083 7.063 1.00 11.10 C ATOM 822 C LYS A 54 -9.488 -10.493 5.793 1.00 11.19 C ATOM 823 O LYS A 54 -8.291 -10.254 5.655 1.00 10.99 O ATOM 824 CB LYS A 54 -10.327 -11.245 8.058 1.00 18.92 C ATOM 825 CG LYS A 54 -9.024 -11.980 8.350 1.00 26.78 C ATOM 826 CD LYS A 54 -9.172 -12.944 9.534 1.00 32.37 C ATOM 827 CE LYS A 54 -9.573 -12.263 10.841 1.00 33.21 C ATOM 828 NZ LYS A 54 -8.450 -11.736 11.658 1.00 30.87 N ATOM 829 HA LYS A 54 -9.656 -9.278 7.523 1.00 0.00 H ATOM 830 HB2 LYS A 54 -10.706 -10.848 9.000 1.00 0.00 H ATOM 831 HB3 LYS A 54 -11.037 -11.969 7.658 1.00 0.00 H ATOM 832 HG2 LYS A 54 -8.732 -12.547 7.466 1.00 0.00 H ATOM 833 HG3 LYS A 54 -8.250 -11.249 8.583 1.00 0.00 H ATOM 834 HD2 LYS A 54 -9.934 -13.681 9.283 1.00 0.00 H ATOM 835 HD3 LYS A 54 -8.218 -13.448 9.688 1.00 0.00 H ATOM 836 HE2 LYS A 54 -10.117 -12.989 11.445 1.00 0.00 H ATOM 837 HE3 LYS A 54 -10.232 -11.429 10.597 1.00 0.00 H ATOM 838 HZ1 LYS A 54 -7.814 -12.518 11.917 1.00 0.00 H ATOM 839 HZ2 LYS A 54 -7.924 -11.028 11.107 1.00 0.00 H ATOM 840 HZ3 LYS A 54 -8.828 -11.295 12.521 1.00 0.00 H ATOM 841 H LYS A 54 -12.385 -10.187 7.028 1.00 0.00 H ATOM 842 N GLU A 55 -10.205 -11.081 4.844 1.00 10.79 N ATOM 843 CA GLU A 55 -9.566 -11.542 3.618 1.00 11.65 C ATOM 844 C GLU A 55 -9.068 -10.370 2.768 1.00 11.14 C ATOM 845 O GLU A 55 -8.018 -10.464 2.131 1.00 11.34 O ATOM 846 CB GLU A 55 -10.508 -12.448 2.822 1.00 14.71 C ATOM 847 CG GLU A 55 -10.762 -13.795 3.496 1.00 17.69 C ATOM 848 CD GLU A 55 -11.681 -13.706 4.707 1.00 21.63 C ATOM 849 OE1 GLU A 55 -12.560 -12.817 4.747 1.00 21.31 O ATOM 850 OE2 GLU A 55 -11.522 -14.536 5.626 1.00 26.34 O ATOM 851 HA GLU A 55 -8.692 -12.129 3.899 1.00 0.00 H ATOM 852 HB2 GLU A 55 -11.462 -11.935 2.702 1.00 0.00 H ATOM 853 HB3 GLU A 55 -10.068 -12.629 1.841 1.00 0.00 H ATOM 854 HG2 GLU A 55 -11.216 -14.466 2.767 1.00 0.00 H ATOM 855 HG3 GLU A 55 -9.805 -14.205 3.818 1.00 0.00 H ATOM 856 H GLU A 55 -11.228 -11.214 4.976 1.00 0.00 H ATOM 857 N ARG A 56 -9.817 -9.271 2.768 1.00 9.83 N ATOM 858 CA ARG A 56 -9.390 -8.045 2.096 1.00 10.37 C ATOM 859 C ARG A 56 -8.095 -7.541 2.712 1.00 9.25 C ATOM 860 O ARG A 56 -7.165 -7.142 2.015 1.00 9.72 O ATOM 861 CB ARG A 56 -10.456 -6.958 2.227 1.00 11.25 C ATOM 862 CG ARG A 56 -9.994 -5.571 1.785 1.00 12.25 C ATOM 863 CD ARG A 56 -11.088 -4.535 2.012 1.00 13.25 C ATOM 864 NE ARG A 56 -10.623 -3.168 1.784 1.00 13.89 N ATOM 865 CZ ARG A 56 -9.975 -2.433 2.681 1.00 13.73 C ATOM 866 NH1 ARG A 56 -9.697 -2.922 3.883 1.00 11.41 N ATOM 867 NH2 ARG A 56 -9.594 -1.199 2.378 1.00 14.68 N ATOM 868 HA ARG A 56 -9.237 -8.272 1.041 1.00 0.00 H ATOM 869 HB2 ARG A 56 -11.313 -7.244 1.617 1.00 0.00 H ATOM 870 HB3 ARG A 56 -10.759 -6.901 3.272 1.00 0.00 H ATOM 871 HG2 ARG A 56 -9.111 -5.289 2.358 1.00 0.00 H ATOM 872 HG3 ARG A 56 -9.743 -5.599 0.725 1.00 0.00 H ATOM 873 HD2 ARG A 56 -11.440 -4.618 3.040 1.00 0.00 H ATOM 874 HD3 ARG A 56 -11.912 -4.742 1.330 1.00 0.00 H ATOM 875 HE ARG A 56 -10.813 -2.741 0.855 1.00 0.00 H ATOM 876 HH12 ARG A 56 -9.189 -2.338 4.577 1.00 0.00 H ATOM 877 HH11 ARG A 56 -9.987 -3.890 4.131 1.00 0.00 H ATOM 878 HH22 ARG A 56 -9.087 -0.624 3.081 1.00 0.00 H ATOM 879 HH21 ARG A 56 -9.803 -0.806 1.438 1.00 0.00 H ATOM 880 H ARG A 56 -10.733 -9.284 3.260 1.00 0.00 H ATOM 881 N ALA A 57 -8.041 -7.552 4.034 1.00 8.73 N ATOM 882 CA ALA A 57 -6.861 -7.072 4.736 1.00 7.99 C ATOM 883 C ALA A 57 -5.643 -7.901 4.336 1.00 7.61 C ATOM 884 O ALA A 57 -4.580 -7.362 4.016 1.00 8.28 O ATOM 885 CB ALA A 57 -7.088 -7.132 6.234 1.00 7.71 C ATOM 886 HA ALA A 57 -6.675 -6.034 4.459 1.00 0.00 H ATOM 887 HB1 ALA A 57 -7.941 -6.506 6.496 1.00 0.00 H ATOM 888 HB2 ALA A 57 -7.287 -8.162 6.529 1.00 0.00 H ATOM 889 HB3 ALA A 57 -6.198 -6.770 6.750 1.00 0.00 H ATOM 890 H ALA A 57 -8.853 -7.908 4.578 1.00 0.00 H ATOM 891 N VAL A 58 -5.808 -9.216 4.337 1.00 8.29 N ATOM 892 CA VAL A 58 -4.719 -10.113 3.978 1.00 8.67 C ATOM 893 C VAL A 58 -4.233 -9.869 2.547 1.00 8.34 C ATOM 894 O VAL A 58 -3.032 -9.777 2.306 1.00 8.50 O ATOM 895 CB VAL A 58 -5.120 -11.589 4.164 1.00 9.60 C ATOM 896 CG1 VAL A 58 -4.046 -12.512 3.612 1.00 10.70 C ATOM 897 CG2 VAL A 58 -5.360 -11.882 5.639 1.00 11.55 C ATOM 898 HA VAL A 58 -3.894 -9.895 4.656 1.00 0.00 H ATOM 899 HB VAL A 58 -6.042 -11.769 3.612 1.00 0.00 H ATOM 900 HG11 VAL A 58 -3.911 -12.315 2.549 1.00 0.00 H ATOM 901 HG12 VAL A 58 -3.109 -12.332 4.138 1.00 0.00 H ATOM 902 HG13 VAL A 58 -4.351 -13.549 3.755 1.00 0.00 H ATOM 903 HG21 VAL A 58 -4.447 -11.684 6.201 1.00 0.00 H ATOM 904 HG22 VAL A 58 -6.161 -11.243 6.009 1.00 0.00 H ATOM 905 HG23 VAL A 58 -5.643 -12.928 5.759 1.00 0.00 H ATOM 906 H VAL A 58 -6.732 -9.614 4.599 1.00 0.00 H ATOM 907 N LEU A 59 -5.147 -9.751 1.592 1.00 8.90 N ATOM 908 CA LEU A 59 -4.712 -9.583 0.210 1.00 9.08 C ATOM 909 C LEU A 59 -4.039 -8.217 -0.016 1.00 9.62 C ATOM 910 O LEU A 59 -3.105 -8.102 -0.813 1.00 10.96 O ATOM 911 CB LEU A 59 -5.855 -9.852 -0.782 1.00 12.04 C ATOM 912 CG LEU A 59 -7.089 -8.952 -0.821 1.00 14.56 C ATOM 913 CD1 LEU A 59 -6.840 -7.741 -1.708 1.00 15.91 C ATOM 914 CD2 LEU A 59 -8.294 -9.749 -1.312 1.00 14.98 C ATOM 915 HA LEU A 59 -3.949 -10.336 0.014 1.00 0.00 H ATOM 916 HB2 LEU A 59 -5.415 -9.819 -1.779 1.00 0.00 H ATOM 917 HB3 LEU A 59 -6.213 -10.861 -0.577 1.00 0.00 H ATOM 918 HG LEU A 59 -7.297 -8.591 0.186 1.00 0.00 H ATOM 919 HD21 LEU A 59 -8.093 -10.130 -2.313 1.00 0.00 H ATOM 920 HD22 LEU A 59 -8.477 -10.583 -0.635 1.00 0.00 H ATOM 921 HD23 LEU A 59 -9.170 -9.101 -1.337 1.00 0.00 H ATOM 922 HD11 LEU A 59 -5.998 -7.171 -1.315 1.00 0.00 H ATOM 923 HD12 LEU A 59 -6.613 -8.074 -2.721 1.00 0.00 H ATOM 924 HD13 LEU A 59 -7.731 -7.113 -1.722 1.00 0.00 H ATOM 925 H LEU A 59 -6.160 -9.778 1.826 1.00 0.00 H ATOM 926 N LEU A 60 -4.481 -7.191 0.704 1.00 9.12 N ATOM 927 CA LEU A 60 -3.828 -5.892 0.607 1.00 7.99 C ATOM 928 C LEU A 60 -2.410 -5.943 1.162 1.00 7.92 C ATOM 929 O LEU A 60 -1.495 -5.331 0.604 1.00 10.56 O ATOM 930 CB LEU A 60 -4.619 -4.814 1.344 1.00 9.73 C ATOM 931 CG LEU A 60 -5.944 -4.408 0.710 1.00 10.24 C ATOM 932 CD1 LEU A 60 -6.659 -3.397 1.594 1.00 12.26 C ATOM 933 CD2 LEU A 60 -5.713 -3.846 -0.688 1.00 10.55 C ATOM 934 HA LEU A 60 -3.787 -5.638 -0.452 1.00 0.00 H ATOM 935 HB2 LEU A 60 -4.828 -5.181 2.349 1.00 0.00 H ATOM 936 HB3 LEU A 60 -3.992 -3.924 1.407 1.00 0.00 H ATOM 937 HG LEU A 60 -6.578 -5.290 0.618 1.00 0.00 H ATOM 938 HD21 LEU A 60 -5.066 -2.971 -0.624 1.00 0.00 H ATOM 939 HD22 LEU A 60 -5.239 -4.605 -1.310 1.00 0.00 H ATOM 940 HD23 LEU A 60 -6.669 -3.561 -1.126 1.00 0.00 H ATOM 941 HD11 LEU A 60 -6.851 -3.842 2.571 1.00 0.00 H ATOM 942 HD12 LEU A 60 -6.033 -2.513 1.712 1.00 0.00 H ATOM 943 HD13 LEU A 60 -7.604 -3.115 1.130 1.00 0.00 H ATOM 944 H LEU A 60 -5.295 -7.316 1.339 1.00 0.00 H ATOM 945 N GLN A 61 -2.217 -6.665 2.261 1.00 8.14 N ATOM 946 CA GLN A 61 -0.914 -6.665 2.917 1.00 7.91 C ATOM 947 C GLN A 61 0.108 -7.561 2.223 1.00 9.72 C ATOM 948 O GLN A 61 1.309 -7.313 2.307 1.00 9.19 O ATOM 949 CB GLN A 61 -1.055 -7.044 4.387 1.00 8.16 C ATOM 950 CG GLN A 61 -1.716 -5.952 5.210 1.00 7.93 C ATOM 951 CD GLN A 61 -0.949 -4.638 5.173 1.00 8.13 C ATOM 952 OE1 GLN A 61 0.274 -4.616 4.974 1.00 9.32 O ATOM 953 NE2 GLN A 61 -1.660 -3.536 5.363 1.00 8.82 N ATOM 954 HA GLN A 61 -0.529 -5.648 2.844 1.00 0.00 H ATOM 955 HB2 GLN A 61 -1.658 -7.949 4.458 1.00 0.00 H ATOM 956 HB3 GLN A 61 -0.063 -7.237 4.795 1.00 0.00 H ATOM 957 HG2 GLN A 61 -2.719 -5.781 4.820 1.00 0.00 H ATOM 958 HG3 GLN A 61 -1.782 -6.288 6.245 1.00 0.00 H ATOM 959 HE22 GLN A 61 -2.685 -3.600 5.527 1.00 0.00 H ATOM 960 HE21 GLN A 61 -1.193 -2.607 5.348 1.00 0.00 H ATOM 961 H GLN A 61 -2.996 -7.231 2.654 1.00 0.00 H ATOM 962 N ARG A 62 -0.361 -8.587 1.526 1.00 8.38 N ATOM 963 CA ARG A 62 0.556 -9.479 0.835 1.00 11.22 C ATOM 964 C ARG A 62 1.441 -8.712 -0.138 1.00 11.39 C ATOM 965 O ARG A 62 2.636 -8.983 -0.253 1.00 12.08 O ATOM 966 CB ARG A 62 -0.208 -10.572 0.095 1.00 13.93 C ATOM 967 CG ARG A 62 -0.607 -11.707 0.994 1.00 17.29 C ATOM 968 CD ARG A 62 -0.878 -12.974 0.224 1.00 22.72 C ATOM 969 NE ARG A 62 -1.550 -13.953 1.071 1.00 25.10 N ATOM 970 CZ ARG A 62 -0.948 -14.706 1.992 1.00 26.60 C ATOM 971 NH1 ARG A 62 -1.664 -15.563 2.707 1.00 30.22 N ATOM 972 NH2 ARG A 62 0.363 -14.608 2.206 1.00 22.98 N ATOM 973 HA ARG A 62 1.194 -9.943 1.587 1.00 0.00 H ATOM 974 HB2 ARG A 62 -1.108 -10.137 -0.339 1.00 0.00 H ATOM 975 HB3 ARG A 62 0.425 -10.963 -0.701 1.00 0.00 H ATOM 976 HG2 ARG A 62 0.199 -11.893 1.704 1.00 0.00 H ATOM 977 HG3 ARG A 62 -1.510 -11.425 1.536 1.00 0.00 H ATOM 978 HD2 ARG A 62 0.067 -13.390 -0.126 1.00 0.00 H ATOM 979 HD3 ARG A 62 -1.512 -12.745 -0.632 1.00 0.00 H ATOM 980 HE ARG A 62 -2.576 -14.073 0.947 1.00 0.00 H ATOM 981 HH12 ARG A 62 -1.201 -16.154 3.427 1.00 0.00 H ATOM 982 HH11 ARG A 62 -2.688 -15.645 2.548 1.00 0.00 H ATOM 983 HH22 ARG A 62 0.818 -15.202 2.928 1.00 0.00 H ATOM 984 HH21 ARG A 62 0.932 -13.937 1.651 1.00 0.00 H ATOM 985 H ARG A 62 -1.386 -8.754 1.474 1.00 0.00 H ATOM 986 N ARG A 63 0.859 -7.743 -0.829 1.00 12.70 N ATOM 987 CA ARG A 63 1.602 -7.038 -1.860 1.00 16.27 C ATOM 988 C ARG A 63 2.476 -5.938 -1.270 1.00 15.49 C ATOM 989 O ARG A 63 3.203 -5.270 -1.999 1.00 17.36 O ATOM 990 CB ARG A 63 0.673 -6.497 -2.957 1.00 22.07 C ATOM 991 CG ARG A 63 -0.656 -5.901 -2.497 1.00 26.08 C ATOM 992 CD ARG A 63 -1.471 -5.498 -3.707 1.00 29.95 C ATOM 993 NE ARG A 63 -0.928 -4.285 -4.304 1.00 35.81 N ATOM 994 CZ ARG A 63 -0.996 -3.980 -5.595 1.00 40.51 C ATOM 995 NH1 ARG A 63 -1.585 -4.791 -6.465 1.00 39.07 N ATOM 996 NH2 ARG A 63 -0.462 -2.851 -6.030 1.00 45.26 N ATOM 997 HA ARG A 63 2.268 -7.761 -2.330 1.00 0.00 H ATOM 998 HB2 ARG A 63 1.215 -5.720 -3.496 1.00 0.00 H ATOM 999 HB3 ARG A 63 0.449 -7.320 -3.636 1.00 0.00 H ATOM 1000 HG2 ARG A 63 -1.206 -6.642 -1.918 1.00 0.00 H ATOM 1001 HG3 ARG A 63 -0.467 -5.025 -1.877 1.00 0.00 H ATOM 1002 HD2 ARG A 63 -2.502 -5.318 -3.402 1.00 0.00 H ATOM 1003 HD3 ARG A 63 -1.446 -6.303 -4.442 1.00 0.00 H ATOM 1004 HE ARG A 63 -0.452 -3.609 -3.673 1.00 0.00 H ATOM 1005 HH12 ARG A 63 -1.627 -4.532 -7.471 1.00 0.00 H ATOM 1006 HH11 ARG A 63 -2.005 -5.685 -6.140 1.00 0.00 H ATOM 1007 HH22 ARG A 63 -0.512 -2.607 -7.040 1.00 0.00 H ATOM 1008 HH21 ARG A 63 0.008 -2.207 -5.362 1.00 0.00 H ATOM 1009 H ARG A 63 -0.130 -7.487 -0.634 1.00 0.00 H ATOM 1010 N LYS A 64 2.430 -5.777 0.052 1.00 14.08 N ATOM 1011 CA LYS A 64 3.232 -4.756 0.725 1.00 14.94 C ATOM 1012 C LYS A 64 4.481 -5.330 1.390 1.00 18.08 C ATOM 1013 O LYS A 64 5.252 -4.594 2.011 1.00 21.87 O ATOM 1014 CB LYS A 64 2.399 -4.029 1.780 1.00 14.72 C ATOM 1015 CG LYS A 64 1.213 -3.262 1.230 1.00 15.51 C ATOM 1016 CD LYS A 64 0.565 -2.452 2.333 1.00 20.05 C ATOM 1017 CE LYS A 64 -0.486 -1.501 1.806 1.00 21.22 C ATOM 1018 NZ LYS A 64 -0.897 -0.532 2.858 1.00 19.29 N ATOM 1019 HA LYS A 64 3.553 -4.060 -0.050 1.00 0.00 H ATOM 1020 HB2 LYS A 64 2.027 -4.769 2.489 1.00 0.00 H ATOM 1021 HB3 LYS A 64 3.048 -3.324 2.300 1.00 0.00 H ATOM 1022 HG2 LYS A 64 1.551 -2.591 0.440 1.00 0.00 H ATOM 1023 HG3 LYS A 64 0.486 -3.964 0.822 1.00 0.00 H ATOM 1024 HD2 LYS A 64 0.096 -3.135 3.041 1.00 0.00 H ATOM 1025 HD3 LYS A 64 1.336 -1.875 2.843 1.00 0.00 H ATOM 1026 HE2 LYS A 64 -1.357 -2.072 1.486 1.00 0.00 H ATOM 1027 HE3 LYS A 64 -0.079 -0.954 0.955 1.00 0.00 H ATOM 1028 HZ1 LYS A 64 -1.289 -1.050 3.670 1.00 0.00 H ATOM 1029 HZ2 LYS A 64 -0.069 0.018 3.163 1.00 0.00 H ATOM 1030 HZ3 LYS A 64 -1.619 0.110 2.473 1.00 0.00 H ATOM 1031 H LYS A 64 1.810 -6.391 0.618 1.00 0.00 H ATOM 1032 N ARG A 65 4.682 -6.636 1.263 1.00 16.95 N ATOM 1033 CA ARG A 65 5.836 -7.283 1.873 1.00 18.40 C ATOM 1034 C ARG A 65 7.084 -7.112 1.014 1.00 21.28 C ATOM 1035 O ARG A 65 7.002 -7.070 -0.214 1.00 21.88 O ATOM 1036 CB ARG A 65 5.549 -8.763 2.084 1.00 16.70 C ATOM 1037 CG ARG A 65 4.358 -9.018 2.981 1.00 16.71 C ATOM 1038 CD ARG A 65 4.178 -10.495 3.219 1.00 14.37 C ATOM 1039 NE ARG A 65 5.173 -11.015 4.150 1.00 11.39 N ATOM 1040 CZ ARG A 65 5.351 -12.307 4.401 1.00 10.04 C ATOM 1041 NH1 ARG A 65 4.605 -13.214 3.782 1.00 11.26 N ATOM 1042 NH2 ARG A 65 6.277 -12.692 5.270 1.00 8.86 N ATOM 1043 HA ARG A 65 6.021 -6.808 2.836 1.00 0.00 H ATOM 1044 HB2 ARG A 65 5.356 -9.220 1.114 1.00 0.00 H ATOM 1045 HB3 ARG A 65 6.427 -9.226 2.534 1.00 0.00 H ATOM 1046 HG2 ARG A 65 4.516 -8.518 3.937 1.00 0.00 H ATOM 1047 HG3 ARG A 65 3.461 -8.620 2.507 1.00 0.00 H ATOM 1048 HD2 ARG A 65 4.274 -11.021 2.269 1.00 0.00 H ATOM 1049 HD3 ARG A 65 3.184 -10.669 3.630 1.00 0.00 H ATOM 1050 HE ARG A 65 5.780 -10.333 4.648 1.00 0.00 H ATOM 1051 HH12 ARG A 65 4.745 -14.225 3.979 1.00 0.00 H ATOM 1052 HH11 ARG A 65 3.880 -12.913 3.100 1.00 0.00 H ATOM 1053 HH22 ARG A 65 6.417 -13.704 5.467 1.00 0.00 H ATOM 1054 HH21 ARG A 65 6.863 -11.982 5.754 1.00 0.00 H ATOM 1055 H ARG A 65 4.004 -7.207 0.719 1.00 0.00 H TER 1056 ARG A 65 HETATM 1057 ZN ZN A 1 -7.457 -2.864 21.638 1.00 10.04 ZN HETATM 1058 ZN ZN A 2 -3.141 -5.423 8.693 1.00 7.38 ZN HETATM 1059 O HOH 3 -2.156 1.006 6.200 1.00 10.15 O HETATM 1060 O HOH 4 -10.383 -4.999 5.632 1.00 10.66 O HETATM 1061 O HOH 5 3.266 -11.771 -0.494 1.00 12.24 O HETATM 1062 O HOH 6 -6.958 -13.074 1.437 1.00 18.13 O HETATM 1063 O HOH 7 -6.922 3.279 4.414 1.00 13.70 O HETATM 1064 O HOH 8 -2.875 -9.780 -2.825 1.00 17.76 O HETATM 1065 O HOH 9 -5.576 -11.218 16.124 1.00 17.14 O HETATM 1066 O HOH 10 -7.162 12.598 20.951 1.00 17.45 O HETATM 1067 O HOH 11 -5.531 -6.653 21.276 1.00 14.78 O HETATM 1068 O HOH 12 -0.812 -8.714 13.028 1.00 11.82 O HETATM 1069 O HOH 13 -6.549 5.734 3.525 1.00 21.90 O HETATM 1070 O HOH 14 4.495 -3.527 12.684 1.00 14.44 O HETATM 1071 O HOH 15 8.414 -3.852 8.867 1.00 21.66 O HETATM 1072 O HOH 16 -11.845 0.190 12.050 1.00 12.33 O HETATM 1073 O HOH 17 -13.311 -4.273 6.115 1.00 18.56 O HETATM 1074 O HOH 18 -1.925 -3.214 -1.026 1.00 14.62 O HETATM 1075 O HOH 19 -16.452 -11.830 4.354 1.00 27.17 O HETATM 1076 O HOH 20 3.005 -13.513 1.463 1.00 15.23 O HETATM 1077 O HOH 21 -3.101 -0.958 0.175 1.00 16.89 O HETATM 1078 O HOH 22 -8.928 1.744 3.319 1.00 24.05 O HETATM 1079 O HOH 23 -13.805 -8.762 17.976 1.00 31.49 O HETATM 1080 O HOH 24 -3.508 -10.933 14.240 1.00 13.99 O HETATM 1081 O HOH 25 -5.088 5.868 18.802 1.00 16.72 O HETATM 1082 O HOH 26 -12.358 2.392 16.924 1.00 21.70 O HETATM 1083 O HOH 27 0.191 -2.140 -2.635 1.00 24.70 O HETATM 1084 O HOH 28 -2.426 3.221 23.394 1.00 20.99 O HETATM 1085 O HOH 29 -13.739 -0.044 8.993 1.00 19.99 O HETATM 1086 O HOH 30 -14.271 -11.678 3.295 1.00 17.67 O HETATM 1087 O HOH 31 -0.218 -4.090 23.429 1.00 21.05 O HETATM 1088 O HOH 32 8.560 -0.171 11.684 1.00 24.36 O HETATM 1089 O HOH 33 4.236 -7.525 18.035 1.00 26.89 O HETATM 1090 O HOH 34 -6.909 -14.926 3.495 1.00 27.77 O HETATM 1091 O HOH 35 -19.843 -4.588 12.645 1.00 23.97 O HETATM 1092 O HOH 36 7.273 -3.150 13.154 1.00 31.76 O HETATM 1093 O HOH 37 -18.612 -8.068 15.871 1.00 36.17 O HETATM 1094 O HOH 38 -1.612 2.776 4.059 1.00 29.23 O HETATM 1095 O HOH 39 -13.114 9.475 18.296 1.00 29.38 O HETATM 1096 O HOH 40 -13.786 -11.516 7.146 1.00 19.33 O HETATM 1097 O HOH 41 2.041 -1.818 21.778 1.00 23.48 O HETATM 1098 O HOH 42 4.053 3.250 9.606 1.00 14.37 O HETATM 1099 O HOH 43 -2.839 5.037 21.679 1.00 31.27 O HETATM 1100 O HOH 44 0.734 -9.680 15.077 1.00 32.64 O HETATM 1101 O HOH 45 -13.399 -8.747 22.342 1.00 32.16 O HETATM 1102 O HOH 46 -13.383 -1.627 25.510 1.00 24.27 O HETATM 1103 O HOH 47 7.383 -2.734 15.868 1.00 31.34 O HETATM 1104 O HOH 48 8.988 -5.476 11.274 1.00 37.30 O HETATM 1105 O HOH 49 -2.599 -0.177 26.893 1.00 30.25 O HETATM 1106 O HOH 50 6.039 -4.989 -1.611 1.00 29.39 O HETATM 1107 O HOH 51 -15.007 -9.520 11.427 1.00 26.64 O HETATM 1108 O HOH 52 -18.560 -2.536 19.716 1.00 32.83 O HETATM 1109 O HOH 53 -12.579 4.036 14.842 1.00 36.55 O HETATM 1110 O HOH 54 4.161 -15.923 1.278 1.00 22.27 O HETATM 1111 O HOH 55 7.664 -6.699 13.494 1.00 32.49 O HETATM 1112 O HOH 56 -9.298 11.393 21.860 1.00 23.90 O HETATM 1113 O HOH 57 -7.608 15.105 21.758 1.00 27.53 O HETATM 1114 O HOH 58 -7.155 12.275 9.031 1.00 26.85 O HETATM 1115 O HOH 59 -16.933 -2.333 11.112 1.00 24.11 O HETATM 1116 O HOH 60 -4.038 -13.491 0.315 1.00 29.62 O HETATM 1117 O HOH 61 -2.800 11.521 6.642 1.00 29.43 O HETATM 1118 O HOH 62 -1.008 -6.891 23.679 1.00 30.45 O HETATM 1119 O HOH 63 -14.981 -0.573 11.472 1.00 27.99 O HETATM 1120 O HOH 64 -9.258 3.647 1.050 1.00 25.18 O HETATM 1121 O HOH 65 -16.660 -9.435 16.866 1.00 34.51 O HETATM 1122 O HOH 66 5.451 -4.391 16.480 1.00 29.91 O HETATM 1123 O HOH 67 -13.365 2.535 12.040 1.00 26.71 O HETATM 1124 O HOH 68 -14.639 -4.098 3.640 1.00 29.61 O HETATM 1125 O HOH 69 5.721 -6.665 14.650 1.00 29.42 O HETATM 1126 O HOH 70 -14.859 -6.099 1.732 1.00 30.53 O HETATM 1127 O HOH 71 -15.729 1.702 12.580 1.00 34.14 O HETATM 1128 O HOH 72 2.297 -17.552 0.721 1.00 42.53 O HETATM 1129 O HOH 73 -3.269 -8.229 22.197 1.00 29.70 O HETATM 1130 O HOH 74 -14.118 -5.734 24.186 1.00 29.88 O HETATM 1131 O HOH 75 -13.566 -8.141 13.140 1.00 31.00 O HETATM 1132 O HOH 76 -16.753 -5.410 6.214 1.00 35.00 O HETATM 1133 O HOH 77 -11.576 1.547 3.680 1.00 33.85 O HETATM 1134 O HOH 78 -1.557 1.630 28.868 1.00 34.64 O HETATM 1135 O HOH 79 -10.093 -10.109 15.833 1.00 28.07 O HETATM 1136 O HOH 80 -18.196 -11.595 14.304 1.00 38.69 O HETATM 1137 O HOH 81 -17.317 -8.007 7.197 1.00 36.45 O HETATM 1138 O HOH 82 -7.914 -10.619 14.039 1.00 32.77 O HETATM 1139 O HOH 83 -8.873 -5.933 23.793 1.00 39.82 O HETATM 1140 O HOH 84 -9.503 12.979 23.836 1.00 40.81 O HETATM 1141 O HOH 85 -13.622 10.936 16.170 1.00 31.44 O HETATM 1142 O HOH 86 5.940 0.508 20.705 1.00 30.05 O HETATM 1143 O HOH 87 -16.400 -10.479 6.676 1.00 27.88 O HETATM 1144 O HOH 88 3.613 0.846 21.251 1.00 31.83 O HETATM 1145 O HOH 89 -7.049 -7.900 23.310 1.00 38.11 O HETATM 1146 O HOH 90 -2.716 0.657 30.642 1.00 38.83 O HETATM 1147 O HOH 91 0.082 0.179 -3.260 1.00 33.14 O HETATM 1148 O HOH 92 -8.388 -12.117 16.912 1.00 50.22 O HETATM 1149 O HOH 93 10.126 1.431 13.308 1.00 40.61 O HETATM 1150 O HOH 94 -14.345 -1.946 7.000 1.00 32.82 O HETATM 1151 O HOH 95 -19.422 -2.253 12.286 1.00 39.72 O HETATM 1152 O HOH 96 -13.596 6.496 17.232 1.00 46.89 O HETATM 1153 O HOH 97 -16.469 -14.202 6.210 1.00 39.51 O HETATM 1154 O HOH 98 -11.874 6.636 8.629 1.00 41.39 O HETATM 1155 O HOH 99 -18.853 -0.294 13.657 1.00 40.05 O HETATM 1156 O HOH 100 8.594 -0.695 17.221 1.00 39.17 O HETATM 1157 O HOH 101 5.568 -2.625 4.071 1.00 43.33 O HETATM 1158 O HOH 102 -15.248 8.453 15.783 1.00 43.92 O HETATM 1159 O HOH 103 -6.984 17.911 21.337 1.00 37.85 O HETATM 1160 O HOH 104 7.694 -8.789 11.873 1.00 22.31 O HETATM 1161 O HOH 105 2.950 -19.594 0.297 1.00 40.11 O HETATM 1162 O HOH 106 -13.504 -13.307 9.550 1.00 40.70 O HETATM 1163 O HOH 107 -19.880 -2.702 16.413 1.00 42.16 O HETATM 1164 O HOH 108 -13.690 -14.886 7.236 1.00 39.08 O HETATM 1165 O HOH 109 -12.021 12.448 23.896 1.00 36.58 O HETATM 1166 O HOH 110 -4.621 6.625 -0.127 1.00 41.77 O HETATM 1167 O HOH 111 2.040 -2.819 24.224 1.00 42.93 O HETATM 1168 O HOH 112 -13.723 3.377 9.122 1.00 45.02 O HETATM 1169 O HOH 113 -12.531 6.455 10.789 1.00 45.52 O HETATM 1170 O HOH 114 -20.207 -4.871 20.439 1.00 43.23 O HETATM 1171 O HOH 115 1.201 -8.277 24.595 1.00 42.85 O HETATM 1172 O HOH 116 0.983 10.224 11.455 1.00 20.71 O HETATM 1173 O HOH 117 4.544 7.594 15.577 1.00 25.68 O HETATM 1174 O HOH 118 1.074 12.374 5.397 1.00 30.96 O HETATM 1175 O HOH 119 4.919 8.616 13.014 1.00 20.28 O HETATM 1176 O HOH 120 -0.282 12.362 7.594 1.00 21.63 O HETATM 1177 O HOH 121 6.074 8.809 17.076 1.00 31.30 O HETATM 1178 O HOH 122 5.043 5.669 5.565 1.00 30.89 O HETATM 1179 O HOH 123 -5.404 12.024 18.966 1.00 14.65 O HETATM 1180 O HOH 124 8.013 4.575 13.007 1.00 35.36 O HETATM 1181 O HOH 125 1.644 4.627 21.709 1.00 32.03 O HETATM 1182 O HOH 126 2.038 6.889 4.851 1.00 39.01 O HETATM 1183 O HOH 127 5.790 4.723 16.907 1.00 36.01 O HETATM 1184 N ALA A 128 -6.016 10.232 16.955 1.00 0.24 N HETATM 1185 CA ALA A 128 -5.509 8.907 17.395 1.00 0.06 C HETATM 1186 C ALA A 128 -3.997 8.945 17.325 1.00 0.23 C HETATM 1187 O ALA A 128 -3.438 9.858 16.713 1.00 -0.39 O HETATM 1188 N ALA A 128 -3.323 7.979 17.948 1.00 -0.26 N HETATM 1189 CA ALA A 128 -1.897 7.838 17.700 1.00 0.13 C HETATM 1190 C ALA A 128 -1.677 6.978 16.472 1.00 0.20 C HETATM 1191 O ALA A 128 -2.184 5.865 16.376 1.00 -0.39 O HETATM 1192 N ALA A 128 -0.905 7.512 15.537 1.00 -0.26 N HETATM 1193 CA ALA A 128 -0.582 6.799 14.316 1.00 0.16 C HETATM 1194 C ALA A 128 0.925 6.755 14.183 1.00 0.21 C HETATM 1195 O ALA A 128 1.644 7.363 14.979 1.00 -0.39 O HETATM 1196 N ALA A 128 1.407 6.035 13.177 1.00 -0.26 N HETATM 1197 CA ALA A 128 2.810 6.126 12.809 1.00 0.13 C HETATM 1198 CB ALA A 128 3.744 5.203 13.545 1.00 -0.01 C HETATM 1199 CG ALA A 128 3.595 3.725 13.286 1.00 -0.04 C HETATM 1200 CD ALA A 128 4.535 2.812 14.042 1.00 -0.01 C HETATM 1201 CE ALA A 128 4.264 1.299 13.960 1.00 -0.03 C HETATM 1202 NZ ALA A 128 5.146 0.398 14.763 1.00 0.24 N HETATM 1203 CM1 ALA A 128 4.974 0.692 16.177 1.00 -0.04 C HETATM 1204 H38 ALA A 128 5.622 0.030 16.770 1.00 0.08 H HETATM 1205 H39 ALA A 128 3.924 0.528 16.461 1.00 0.08 H HETATM 1206 H40 ALA A 128 5.246 1.740 16.369 1.00 0.08 H HETATM 1207 CM2 ALA A 128 6.503 0.580 14.339 1.00 -0.04 C HETATM 1208 H41 ALA A 128 6.587 0.347 13.267 1.00 0.08 H HETATM 1209 H42 ALA A 128 7.159 -0.091 14.912 1.00 0.08 H HETATM 1210 H43 ALA A 128 6.804 1.624 14.512 1.00 0.08 H HETATM 1211 CM3 ALA A 128 4.749 -0.974 14.523 1.00 -0.04 C HETATM 1212 H44 ALA A 128 3.708 -1.117 14.848 1.00 0.08 H HETATM 1213 H45 ALA A 128 5.406 -1.650 15.090 1.00 0.08 H HETATM 1214 H46 ALA A 128 4.832 -1.197 13.449 1.00 0.08 H HETATM 1215 H36 ALA A 128 4.362 1.003 12.905 1.00 0.08 H HETATM 1216 H37 ALA A 128 3.229 1.131 14.293 1.00 0.08 H HETATM 1217 H34 ALA A 128 4.492 3.099 15.103 1.00 0.03 H HETATM 1218 H35 ALA A 128 5.550 2.988 13.655 1.00 0.03 H HETATM 1219 H32 ALA A 128 3.756 3.555 12.211 1.00 0.03 H HETATM 1220 H33 ALA A 128 2.566 3.441 13.552 1.00 0.03 H HETATM 1221 H30 ALA A 128 3.592 5.368 14.622 1.00 0.03 H HETATM 1222 H31 ALA A 128 4.772 5.485 13.272 1.00 0.03 H HETATM 1223 C ALA A 128 2.921 5.927 11.342 1.00 0.20 C HETATM 1224 O ALA A 128 2.246 5.030 10.735 1.00 -0.39 O HETATM 1225 N ALA A 128 3.752 6.757 10.725 1.00 -0.26 N HETATM 1226 CA ALA A 128 4.014 6.676 9.302 1.00 0.13 C HETATM 1227 C ALA A 128 5.504 6.515 9.093 1.00 0.20 C HETATM 1228 O ALA A 128 6.238 7.495 8.933 1.00 -0.39 O HETATM 1229 N ALA A 128 5.942 5.266 9.101 1.00 -0.26 N HETATM 1230 CA ALA A 128 7.349 4.947 8.978 1.00 0.16 C HETATM 1231 C ALA A 128 7.800 5.142 7.539 1.00 0.21 C HETATM 1232 O ALA A 128 7.165 4.644 6.607 1.00 -0.39 O HETATM 1233 N ALA A 128 8.885 5.890 7.363 1.00 -0.27 N HETATM 1234 CA ALA A 128 9.476 6.093 6.044 1.00 0.09 C HETATM 1235 C ALA A 128 10.923 5.621 6.048 1.00 0.06 C HETATM 1236 O ALA A 128 11.600 5.651 7.110 1.00 -0.57 O HETATM 1237 O ALA A 128 11.447 5.198 4.983 1.00 -0.57 O HETATM 1238 CB ALA A 128 9.395 7.565 5.639 1.00 -0.03 C HETATM 1239 H64 ALA A 128 9.845 7.697 4.644 1.00 0.03 H HETATM 1240 H65 ALA A 128 9.941 8.178 6.372 1.00 0.03 H HETATM 1241 H66 ALA A 128 8.341 7.880 5.610 1.00 0.03 H HETATM 1242 H63 ALA A 128 8.913 5.497 5.311 1.00 0.07 H HETATM 1243 H62 ALA A 128 9.308 6.326 8.157 1.00 0.19 H HETATM 1244 CB ALA A 128 7.610 3.502 9.406 1.00 0.09 C HETATM 1245 OG1 ALA A 128 7.188 3.326 10.764 1.00 -0.39 O HETATM 1246 H58 ALA A 128 7.676 3.917 11.325 1.00 0.21 H HETATM 1247 CG2 ALA A 128 9.081 3.171 9.282 1.00 -0.03 C HETATM 1248 H59 ALA A 128 9.250 2.130 9.593 1.00 0.03 H HETATM 1249 H60 ALA A 128 9.664 3.845 9.926 1.00 0.03 H HETATM 1250 H61 ALA A 128 9.398 3.297 8.236 1.00 0.03 H HETATM 1251 H57 ALA A 128 7.035 2.825 8.757 1.00 0.06 H HETATM 1252 H56 ALA A 128 7.925 5.621 9.629 1.00 0.08 H HETATM 1253 H55 ALA A 128 5.282 4.521 9.195 1.00 0.19 H HETATM 1254 CB ALA A 128 3.521 7.932 8.597 1.00 0.00 C HETATM 1255 CG ALA A 128 2.018 8.000 8.459 1.00 0.04 C HETATM 1256 CD ALA A 128 1.563 9.299 7.841 1.00 0.17 C HETATM 1257 OE1 ALA A 128 1.011 10.162 8.524 1.00 -0.40 O HETATM 1258 NE2 ALA A 128 1.796 9.451 6.540 1.00 -0.30 N HETATM 1259 H53 ALA A 128 1.516 10.292 6.077 1.00 0.18 H HETATM 1260 H54 ALA A 128 2.251 8.724 6.025 1.00 0.18 H HETATM 1261 H51 ALA A 128 1.565 7.904 9.457 1.00 0.05 H HETATM 1262 H52 ALA A 128 1.682 7.168 7.823 1.00 0.05 H HETATM 1263 H49 ALA A 128 3.964 7.962 7.591 1.00 0.03 H HETATM 1264 H50 ALA A 128 3.857 8.808 9.172 1.00 0.03 H HETATM 1265 H48 ALA A 128 3.491 5.803 8.885 1.00 0.08 H HETATM 1266 H47 ALA A 128 4.214 7.464 11.261 1.00 0.19 H HETATM 1267 H29 ALA A 128 3.137 7.151 13.039 1.00 0.08 H HETATM 1268 H28 ALA A 128 0.799 5.425 12.668 1.00 0.19 H HETATM 1269 CB ALA A 128 -1.169 7.512 13.083 1.00 0.09 C HETATM 1270 OG1 ALA A 128 -0.522 8.780 12.904 1.00 -0.39 O HETATM 1271 H24 ALA A 128 0.409 8.644 12.776 1.00 0.21 H HETATM 1272 CG2 ALA A 128 -2.664 7.732 13.249 1.00 -0.03 C HETATM 1273 H25 ALA A 128 -3.061 8.242 12.358 1.00 0.03 H HETATM 1274 H26 ALA A 128 -2.847 8.353 14.139 1.00 0.03 H HETATM 1275 H27 ALA A 128 -3.166 6.761 13.370 1.00 0.03 H HETATM 1276 H23 ALA A 128 -0.995 6.888 12.194 1.00 0.06 H HETATM 1277 H22 ALA A 128 -0.984 5.777 14.371 1.00 0.08 H HETATM 1278 H21 ALA A 128 -0.535 8.431 15.677 1.00 0.19 H HETATM 1279 CB ALA A 128 -1.114 7.237 18.866 1.00 -0.01 C HETATM 1280 CG ALA A 128 0.369 7.224 18.519 1.00 -0.02 C HETATM 1281 CD ALA A 128 1.307 7.358 19.691 1.00 0.06 C HETATM 1282 NE ALA A 128 2.682 7.439 19.193 1.00 -0.27 N HETATM 1283 CZ ALA A 128 3.687 6.650 19.568 1.00 0.29 C HETATM 1284 NH1 ALA A 128 3.518 5.697 20.475 1.00 -0.28 N HETATM 1285 H17 ALA A 128 4.311 5.100 20.748 1.00 0.26 H HETATM 1286 H18 ALA A 128 2.594 5.554 20.906 1.00 0.26 H HETATM 1287 NH2 ALA A 128 4.888 6.825 19.031 1.00 -0.28 N HETATM 1288 H19 ALA A 128 5.034 7.561 18.326 1.00 0.26 H HETATM 1289 H20 ALA A 128 5.674 6.225 19.320 1.00 0.26 H HETATM 1290 H16 ALA A 128 2.889 8.167 18.494 1.00 0.26 H HETATM 1291 H14 ALA A 128 1.204 6.482 20.348 1.00 0.07 H HETATM 1292 H15 ALA A 128 1.065 8.271 20.255 1.00 0.07 H HETATM 1293 H12 ALA A 128 0.564 8.059 17.831 1.00 0.03 H HETATM 1294 H13 ALA A 128 0.591 6.273 18.013 1.00 0.03 H HETATM 1295 H10 ALA A 128 -1.458 6.208 19.049 1.00 0.03 H HETATM 1296 H11 ALA A 128 -1.275 7.844 19.769 1.00 0.03 H HETATM 1297 H9 ALA A 128 -1.492 8.842 17.505 1.00 0.08 H HETATM 1298 H8 ALA A 128 -3.792 7.359 18.578 1.00 0.19 H HETATM 1299 CB ALA A 128 -6.045 7.816 16.485 1.00 -0.00 C HETATM 1300 H5 ALA A 128 -5.664 6.840 16.819 1.00 0.03 H HETATM 1301 H6 ALA A 128 -5.715 8.005 15.453 1.00 0.03 H HETATM 1302 H7 ALA A 128 -7.144 7.813 16.524 1.00 0.03 H HETATM 1303 H4 ALA A 128 -5.830 8.710 18.429 1.00 0.11 H HETATM 1304 H1 ALA A 128 -7.023 10.235 16.992 1.00 0.20 H HETATM 1305 H2 ALA A 128 -5.714 10.411 16.010 1.00 0.20 H HETATM 1306 H3 ALA A 128 -5.655 10.949 17.564 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 74 73 78 1058 CONECT 104 103 108 1058 CONECT 271 270 275 1057 CONECT 316 315 320 1057 CONECT 396 395 398 1058 CONECT 442 441 446 1058 CONECT 664 663 668 1057 CONECT 714 713 718 1057 CONECT 1057 271 316 664 714 CONECT 1058 74 104 396 442 CONECT 1184 1185 1304 1305 1306 CONECT 1185 1184 1186 1299 1303 CONECT 1186 1185 1187 1188 CONECT 1187 1186 CONECT 1188 1186 1189 1298 CONECT 1189 1188 1190 1279 1297 CONECT 1190 1189 1191 1192 CONECT 1191 1190 CONECT 1192 1190 1193 1278 CONECT 1193 1192 1194 1269 1277 CONECT 1194 1193 1195 1196 CONECT 1195 1194 CONECT 1196 1194 1197 1268 CONECT 1197 1196 1198 1223 1267 CONECT 1198 1197 1199 1221 1222 CONECT 1199 1198 1200 1219 1220 CONECT 1200 1199 1201 1217 1218 CONECT 1201 1200 1202 1215 1216 CONECT 1202 1201 1203 1207 1211 CONECT 1203 1202 1204 1205 1206 CONECT 1204 1203 CONECT 1205 1203 CONECT 1206 1203 CONECT 1207 1202 1208 1209 1210 CONECT 1208 1207 CONECT 1209 1207 CONECT 1210 1207 CONECT 1211 1202 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1201 CONECT 1216 1201 CONECT 1217 1200 CONECT 1218 1200 CONECT 1219 1199 CONECT 1220 1199 CONECT 1221 1198 CONECT 1222 1198 CONECT 1223 1197 1224 1225 CONECT 1224 1223 CONECT 1225 1223 1226 1266 CONECT 1226 1225 1227 1254 1265 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1253 CONECT 1230 1229 1231 1244 1252 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1243 CONECT 1234 1233 1235 1238 1242 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 CONECT 1238 1234 1239 1240 1241 CONECT 1239 1238 CONECT 1240 1238 CONECT 1241 1238 CONECT 1242 1234 CONECT 1243 1233 CONECT 1244 1230 1245 1247 1251 CONECT 1245 1244 1246 CONECT 1246 1245 CONECT 1247 1244 1248 1249 1250 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1247 CONECT 1251 1244 CONECT 1252 1230 CONECT 1253 1229 CONECT 1254 1226 1255 1263 1264 CONECT 1255 1254 1256 1261 1262 CONECT 1256 1255 1257 1258 CONECT 1257 1256 CONECT 1258 1256 1259 1260 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1255 CONECT 1262 1255 CONECT 1263 1254 CONECT 1264 1254 CONECT 1265 1226 CONECT 1266 1225 CONECT 1267 1197 CONECT 1268 1196 CONECT 1269 1193 1270 1272 1276 CONECT 1270 1269 1271 CONECT 1271 1270 CONECT 1272 1269 1273 1274 1275 CONECT 1273 1272 CONECT 1274 1272 CONECT 1275 1272 CONECT 1276 1269 CONECT 1277 1193 CONECT 1278 1192 CONECT 1279 1189 1280 1295 1296 CONECT 1280 1279 1281 1293 1294 CONECT 1281 1280 1282 1291 1292 CONECT 1282 1281 1283 1290 CONECT 1283 1282 1284 1287 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 CONECT 1287 1283 1288 1289 CONECT 1288 1287 CONECT 1289 1287 CONECT 1290 1282 CONECT 1291 1281 CONECT 1292 1281 CONECT 1293 1280 CONECT 1294 1280 CONECT 1295 1279 CONECT 1296 1279 CONECT 1297 1189 CONECT 1298 1188 CONECT 1299 1185 1300 1301 1302 CONECT 1300 1299 CONECT 1301 1299 CONECT 1302 1299 CONECT 1303 1185 CONECT 1304 1184 CONECT 1305 1184 CONECT 1306 1184 MASTER 0 0 0 0 0 0 0 0 1305 1 137 5 END
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Entry Information
PDB ID
4l58
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone-lysine N-methyltransferase MLL5
Ligand Name
12-mer
EC.Number
E.C.2.1.1.43
Resolution
1.48(Å)
Affinity (Kd/Ki/IC50)
Kd=21uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Proc.Natl.Acad.Sci.USA Vol. 110: pp. 11296-11301
Ligand Properties
Formula
C
3
4
H
6
7
N
1
2
O
1
1
Molecular Weight
819.970
Exact Mass
819.505
No. of atoms
124
No. of bonds
123
Polar Surface Area
389.1
LOGP Value
-4.37 (
Computed with XLOGP3
)
-3.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C34H64N12O11/c1-17(35)27(50)41-22(12-10-15-39-34(37)38)29(52)45-26(20(4)48)32(55)43-21(11-8-9-16-46(5,6)7)28(51)42-23(13-14-24(36)49)30(53)44-25(19(3)47)31(54)40-18(2)33(56)57/h17-23,25-26,47-48H,8-16,35H2,1-7H3,(H12-,36,37,38,39,40,41,42,43,44,45,49,50,51,52,53,54,55,56,57)/p+3/t17-,18-,19+,20+,21-,22-,23-,25-,26-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IZD2
P84243
Entrez Gene ID
NCBI Entrez Gene ID:
55904
3020
3021
ASD
Information of known allosteric effects of PDB entries
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