USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= -0.0909 (180deg=-1.1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= -0.0903 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 31:sc= 0.19 USER MOD Single : A 49 HIS : no HD1:sc= -2.52! K(o=-2.5!,f=-1) USER MOD Single : A 50 ASN : amide:sc= -0.0275 K(o=-0.027,f=-1.3) USER MOD Single : A 58 HIS : no HD1:sc= -1.24! C(o=-1.2!,f=-6.1!) USER MOD Single : A 59 GLN : amide:sc= -0.0435 K(o=-0.043,f=-0.97) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.585 11.506 1.229 1.00 0.00 N ATOM 82 CA PRO A 9 -0.571 10.048 1.074 1.00 0.00 C ATOM 83 C PRO A 9 -0.994 9.610 -0.324 1.00 0.00 C ATOM 84 O PRO A 9 -1.649 10.360 -1.048 1.00 0.00 O ATOM 85 CB PRO A 9 -1.588 9.571 2.114 1.00 0.00 C ATOM 86 CG PRO A 9 -2.508 10.728 2.303 1.00 0.00 C ATOM 87 CD PRO A 9 -1.666 11.960 2.119 1.00 0.00 C ATOM 0 HA PRO A 9 0.427 9.633 1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.127 8.690 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.099 9.297 3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.323 10.701 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.961 10.709 3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.238 12.774 1.674 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.277 12.326 3.069 1.00 0.00 H new ATOM 95 N ILE A 10 -0.616 8.392 -0.697 1.00 0.00 N ATOM 96 CA ILE A 10 -0.958 7.854 -2.008 1.00 0.00 C ATOM 97 C ILE A 10 -2.020 6.766 -1.896 1.00 0.00 C ATOM 98 O ILE A 10 -1.799 5.732 -1.267 1.00 0.00 O ATOM 99 CB ILE A 10 0.280 7.276 -2.720 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.399 8.318 -2.769 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.084 6.814 -4.123 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.758 7.730 -3.082 1.00 0.00 C ATOM 0 H ILE A 10 -0.073 7.759 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.351 8.683 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 10 0.637 6.414 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.154 9.067 -3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.447 8.833 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.801 6.408 -4.613 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.852 6.043 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.462 7.659 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.503 8.525 -3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.024 7.001 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.727 7.239 -4.055 1.00 0.00 H new ATOM 114 N GLU A 11 -3.174 7.006 -2.511 1.00 0.00 N ATOM 115 CA GLU A 11 -4.270 6.046 -2.481 1.00 0.00 C ATOM 116 C GLU A 11 -4.005 4.887 -3.438 1.00 0.00 C ATOM 117 O GLU A 11 -4.117 5.035 -4.655 1.00 0.00 O ATOM 118 CB GLU A 11 -5.589 6.731 -2.845 1.00 0.00 C ATOM 119 CG GLU A 11 -6.296 7.361 -1.657 1.00 0.00 C ATOM 120 CD GLU A 11 -7.217 8.496 -2.060 1.00 0.00 C ATOM 121 OE1 GLU A 11 -6.756 9.408 -2.777 1.00 0.00 O ATOM 122 OE2 GLU A 11 -8.399 8.471 -1.659 1.00 0.00 O ATOM 0 H GLU A 11 -3.374 7.857 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.343 5.649 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.395 7.501 -3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.253 6.000 -3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.873 6.597 -1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.552 7.734 -0.953 1.00 0.00 H new ATOM 129 N ALA A 12 -3.652 3.734 -2.879 1.00 0.00 N ATOM 130 CA ALA A 12 -3.372 2.550 -3.682 1.00 0.00 C ATOM 131 C ALA A 12 -4.502 1.532 -3.571 1.00 0.00 C ATOM 132 O ALA A 12 -5.344 1.621 -2.676 1.00 0.00 O ATOM 133 CB ALA A 12 -2.052 1.925 -3.258 1.00 0.00 C ATOM 0 H ALA A 12 -3.553 3.595 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.297 2.858 -4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.856 1.042 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.247 2.647 -3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.106 1.638 -2.208 1.00 0.00 H new ATOM 139 N ILE A 13 -4.514 0.567 -4.484 1.00 0.00 N ATOM 140 CA ILE A 13 -5.541 -0.468 -4.487 1.00 0.00 C ATOM 141 C ILE A 13 -4.920 -1.858 -4.575 1.00 0.00 C ATOM 142 O ILE A 13 -4.062 -2.113 -5.420 1.00 0.00 O ATOM 143 CB ILE A 13 -6.525 -0.282 -5.657 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.171 1.103 -5.592 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.588 -1.370 -5.633 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.057 1.301 -4.382 1.00 0.00 C ATOM 0 H ILE A 13 -3.825 0.480 -5.231 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.086 -0.375 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.973 -0.362 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.387 1.860 -5.586 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.761 1.262 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.276 -1.225 -6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.111 -2.346 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.139 -1.319 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.481 2.305 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.862 0.567 -4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.467 1.174 -3.474 1.00 0.00 H new ATOM 158 N ALA A 14 -5.361 -2.754 -3.699 1.00 0.00 N ATOM 159 CA ALA A 14 -4.851 -4.120 -3.681 1.00 0.00 C ATOM 160 C ALA A 14 -4.979 -4.772 -5.053 1.00 0.00 C ATOM 161 O ALA A 14 -6.072 -4.853 -5.614 1.00 0.00 O ATOM 162 CB ALA A 14 -5.586 -4.943 -2.633 1.00 0.00 C ATOM 0 H ALA A 14 -6.070 -2.559 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.793 -4.083 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.196 -5.961 -2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.439 -4.495 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.650 -4.963 -2.867 1.00 0.00 H new ATOM 168 N LYS A 15 -3.855 -5.235 -5.590 1.00 0.00 N ATOM 169 CA LYS A 15 -3.841 -5.880 -6.897 1.00 0.00 C ATOM 170 C LYS A 15 -4.264 -7.342 -6.787 1.00 0.00 C ATOM 171 O LYS A 15 -4.936 -7.872 -7.672 1.00 0.00 O ATOM 172 CB LYS A 15 -2.445 -5.788 -7.519 1.00 0.00 C ATOM 173 CG LYS A 15 -2.460 -5.690 -9.035 1.00 0.00 C ATOM 174 CD LYS A 15 -1.123 -5.210 -9.575 1.00 0.00 C ATOM 175 CE LYS A 15 -0.194 -6.376 -9.880 1.00 0.00 C ATOM 176 NZ LYS A 15 0.981 -5.952 -10.690 1.00 0.00 N ATOM 0 H LYS A 15 -2.942 -5.175 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.553 -5.361 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.932 -4.917 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.867 -6.664 -7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.697 -6.665 -9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.248 -5.005 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.284 -4.625 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.652 -4.549 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.150 -6.820 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.745 -7.149 -10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.589 -6.775 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.654 -5.551 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.522 -5.233 -10.168 1.00 0.00 H new ATOM 190 N PHE A 16 -3.867 -7.987 -5.696 1.00 0.00 N ATOM 191 CA PHE A 16 -4.206 -9.387 -5.470 1.00 0.00 C ATOM 192 C PHE A 16 -4.296 -9.691 -3.977 1.00 0.00 C ATOM 193 O PHE A 16 -3.462 -9.243 -3.190 1.00 0.00 O ATOM 194 CB PHE A 16 -3.165 -10.298 -6.126 1.00 0.00 C ATOM 195 CG PHE A 16 -2.812 -9.892 -7.528 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.755 -9.961 -8.541 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.538 -9.442 -7.833 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.433 -9.589 -9.833 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.210 -9.068 -9.123 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.159 -9.141 -10.124 1.00 0.00 C ATOM 0 H PHE A 16 -3.310 -7.563 -4.954 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.180 -9.576 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.260 -10.299 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.543 -11.320 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.753 -10.309 -8.319 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.792 -9.383 -7.054 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.177 -9.649 -10.614 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.213 -8.719 -9.348 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.906 -8.848 -11.132 1.00 0.00 H new ATOM 210 N ASP A 17 -5.313 -10.455 -3.596 1.00 0.00 N ATOM 211 CA ASP A 17 -5.514 -10.820 -2.198 1.00 0.00 C ATOM 212 C ASP A 17 -4.192 -11.213 -1.545 1.00 0.00 C ATOM 213 O ASP A 17 -3.650 -12.286 -1.814 1.00 0.00 O ATOM 214 CB ASP A 17 -6.514 -11.972 -2.088 1.00 0.00 C ATOM 215 CG ASP A 17 -6.200 -13.105 -3.045 1.00 0.00 C ATOM 216 OD1 ASP A 17 -6.640 -13.035 -4.211 1.00 0.00 O ATOM 217 OD2 ASP A 17 -5.515 -14.062 -2.627 1.00 0.00 O ATOM 0 H ASP A 17 -6.012 -10.834 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.914 -9.952 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.514 -12.353 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.518 -11.598 -2.289 1.00 0.00 H new ATOM 222 N TYR A 18 -3.679 -10.339 -0.687 1.00 0.00 N ATOM 223 CA TYR A 18 -2.420 -10.593 0.002 1.00 0.00 C ATOM 224 C TYR A 18 -2.644 -10.763 1.502 1.00 0.00 C ATOM 225 O TYR A 18 -3.672 -10.350 2.039 1.00 0.00 O ATOM 226 CB TYR A 18 -1.436 -9.449 -0.251 1.00 0.00 C ATOM 227 CG TYR A 18 -0.050 -9.711 0.294 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.809 -10.604 -0.335 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.400 -9.066 1.440 1.00 0.00 C ATOM 230 CE1 TYR A 18 2.075 -10.847 0.161 1.00 0.00 C ATOM 231 CE2 TYR A 18 1.666 -9.301 1.941 1.00 0.00 C ATOM 232 CZ TYR A 18 2.499 -10.192 1.298 1.00 0.00 C ATOM 233 OH TYR A 18 3.760 -10.430 1.796 1.00 0.00 O ATOM 0 H TYR A 18 -4.116 -9.448 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.000 -11.519 -0.392 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.368 -9.270 -1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.828 -8.537 0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.481 -11.117 -1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.251 -8.369 1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.729 -11.546 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.001 -8.790 2.831 1.00 0.00 H new ATOM 0 HH TYR A 18 3.902 -9.888 2.600 1.00 0.00 H new ATOM 243 N VAL A 19 -1.672 -11.373 2.173 1.00 0.00 N ATOM 244 CA VAL A 19 -1.761 -11.597 3.611 1.00 0.00 C ATOM 245 C VAL A 19 -0.418 -11.349 4.289 1.00 0.00 C ATOM 246 O VAL A 19 0.540 -12.094 4.085 1.00 0.00 O ATOM 247 CB VAL A 19 -2.227 -13.030 3.928 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.231 -14.047 3.392 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.426 -13.206 5.426 1.00 0.00 C ATOM 0 H VAL A 19 -0.814 -11.721 1.744 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.496 -10.891 3.997 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.184 -13.199 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.578 -15.054 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.143 -13.935 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.258 -13.882 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.755 -14.224 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.485 -13.017 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.181 -12.502 5.778 1.00 0.00 H new ATOM 259 N GLY A 20 -0.356 -10.297 5.100 1.00 0.00 N ATOM 260 CA GLY A 20 0.874 -9.969 5.797 1.00 0.00 C ATOM 261 C GLY A 20 1.480 -11.168 6.499 1.00 0.00 C ATOM 262 O GLY A 20 1.000 -11.586 7.553 1.00 0.00 O ATOM 0 H GLY A 20 -1.136 -9.666 5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.595 -9.566 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.676 -9.186 6.528 1.00 0.00 H new ATOM 266 N ARG A 21 2.535 -11.725 5.913 1.00 0.00 N ATOM 267 CA ARG A 21 3.205 -12.885 6.488 1.00 0.00 C ATOM 268 C ARG A 21 3.626 -12.611 7.929 1.00 0.00 C ATOM 269 O ARG A 21 3.535 -13.485 8.792 1.00 0.00 O ATOM 270 CB ARG A 21 4.428 -13.261 5.651 1.00 0.00 C ATOM 271 CG ARG A 21 4.081 -13.938 4.335 1.00 0.00 C ATOM 272 CD ARG A 21 5.286 -14.646 3.737 1.00 0.00 C ATOM 273 NE ARG A 21 5.134 -14.870 2.302 1.00 0.00 N ATOM 274 CZ ARG A 21 4.432 -15.873 1.785 1.00 0.00 C ATOM 275 NH1 ARG A 21 3.822 -16.739 2.582 1.00 0.00 N ATOM 276 NH2 ARG A 21 4.340 -16.010 0.469 1.00 0.00 N ATOM 0 H ARG A 21 2.944 -11.391 5.040 1.00 0.00 H new ATOM 0 HA ARG A 21 2.502 -13.718 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.007 -12.361 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.067 -13.925 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.278 -14.657 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.707 -13.195 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.182 -14.052 3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.431 -15.602 4.240 1.00 0.00 H new ATOM 0 HE ARG A 21 5.592 -14.221 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.891 -16.636 3.594 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.284 -17.508 2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.808 -15.345 -0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.801 -16.780 0.073 1.00 0.00 H new ATOM 290 N THR A 22 4.089 -11.391 8.183 1.00 0.00 N ATOM 291 CA THR A 22 4.526 -11.002 9.518 1.00 0.00 C ATOM 292 C THR A 22 3.777 -9.766 10.003 1.00 0.00 C ATOM 293 O THR A 22 3.226 -9.009 9.205 1.00 0.00 O ATOM 294 CB THR A 22 6.039 -10.717 9.553 1.00 0.00 C ATOM 295 OG1 THR A 22 6.350 -9.614 8.694 1.00 0.00 O ATOM 296 CG2 THR A 22 6.830 -11.942 9.120 1.00 0.00 C ATOM 0 H THR A 22 4.171 -10.655 7.481 1.00 0.00 H new ATOM 0 HA THR A 22 4.306 -11.840 10.179 1.00 0.00 H new ATOM 0 HB THR A 22 6.316 -10.468 10.577 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.314 -9.438 8.723 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.896 -11.717 9.153 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.613 -12.772 9.793 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.548 -12.217 8.104 1.00 0.00 H new ATOM 304 N ALA A 23 3.760 -9.568 11.317 1.00 0.00 N ATOM 305 CA ALA A 23 3.081 -8.422 11.909 1.00 0.00 C ATOM 306 C ALA A 23 3.373 -7.146 11.127 1.00 0.00 C ATOM 307 O ALA A 23 2.466 -6.373 10.821 1.00 0.00 O ATOM 308 CB ALA A 23 3.493 -8.258 13.364 1.00 0.00 C ATOM 0 H ALA A 23 4.209 -10.187 11.992 1.00 0.00 H new ATOM 0 HA ALA A 23 2.007 -8.605 11.866 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.978 -7.398 13.793 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.226 -9.156 13.921 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.570 -8.102 13.422 1.00 0.00 H new ATOM 314 N ARG A 24 4.645 -6.933 10.807 1.00 0.00 N ATOM 315 CA ARG A 24 5.058 -5.749 10.062 1.00 0.00 C ATOM 316 C ARG A 24 4.163 -5.535 8.844 1.00 0.00 C ATOM 317 O ARG A 24 3.603 -4.455 8.657 1.00 0.00 O ATOM 318 CB ARG A 24 6.516 -5.881 9.620 1.00 0.00 C ATOM 319 CG ARG A 24 7.515 -5.425 10.672 1.00 0.00 C ATOM 320 CD ARG A 24 8.826 -4.984 10.041 1.00 0.00 C ATOM 321 NE ARG A 24 9.911 -4.929 11.017 1.00 0.00 N ATOM 322 CZ ARG A 24 11.174 -4.667 10.697 1.00 0.00 C ATOM 323 NH1 ARG A 24 11.508 -4.436 9.435 1.00 0.00 N ATOM 324 NH2 ARG A 24 12.105 -4.634 11.642 1.00 0.00 N ATOM 0 H ARG A 24 5.408 -7.565 11.052 1.00 0.00 H new ATOM 0 HA ARG A 24 4.962 -4.885 10.719 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.717 -6.922 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.666 -5.297 8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.091 -4.601 11.245 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.703 -6.238 11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.093 -5.674 9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.697 -4.002 9.586 1.00 0.00 H new ATOM 0 HE ARG A 24 9.687 -5.101 11.997 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.795 -4.459 8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.478 -4.235 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.851 -4.810 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.074 -4.433 11.396 1.00 0.00 H new ATOM 338 N GLU A 25 4.036 -6.570 8.020 1.00 0.00 N ATOM 339 CA GLU A 25 3.211 -6.493 6.820 1.00 0.00 C ATOM 340 C GLU A 25 1.735 -6.355 7.182 1.00 0.00 C ATOM 341 O GLU A 25 1.357 -6.473 8.348 1.00 0.00 O ATOM 342 CB GLU A 25 3.420 -7.735 5.951 1.00 0.00 C ATOM 343 CG GLU A 25 4.768 -7.768 5.250 1.00 0.00 C ATOM 344 CD GLU A 25 5.040 -6.509 4.449 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.066 -5.870 3.999 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.227 -6.163 4.274 1.00 0.00 O ATOM 0 H GLU A 25 4.493 -7.471 8.161 1.00 0.00 H new ATOM 0 HA GLU A 25 3.513 -5.609 6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.322 -8.624 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.629 -7.781 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.556 -7.900 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.807 -8.632 4.586 1.00 0.00 H new ATOM 353 N LEU A 26 0.907 -6.103 6.175 1.00 0.00 N ATOM 354 CA LEU A 26 -0.529 -5.947 6.386 1.00 0.00 C ATOM 355 C LEU A 26 -1.319 -6.830 5.425 1.00 0.00 C ATOM 356 O LEU A 26 -1.042 -6.864 4.226 1.00 0.00 O ATOM 357 CB LEU A 26 -0.935 -4.484 6.204 1.00 0.00 C ATOM 358 CG LEU A 26 -0.055 -3.450 6.907 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.394 -2.047 6.428 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.215 -3.554 8.417 1.00 0.00 C ATOM 0 H LEU A 26 1.204 -6.002 5.204 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.758 -6.256 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.942 -4.260 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.958 -4.365 6.562 1.00 0.00 H new ATOM 0 HG LEU A 26 0.986 -3.655 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.242 -1.324 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.228 -1.980 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.439 -1.830 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.418 -2.811 8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.256 -3.375 8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.078 -4.551 8.746 1.00 0.00 H new ATOM 372 N SER A 27 -2.306 -7.542 5.960 1.00 0.00 N ATOM 373 CA SER A 27 -3.136 -8.427 5.151 1.00 0.00 C ATOM 374 C SER A 27 -4.333 -7.674 4.578 1.00 0.00 C ATOM 375 O SER A 27 -5.037 -6.964 5.297 1.00 0.00 O ATOM 376 CB SER A 27 -3.617 -9.615 5.986 1.00 0.00 C ATOM 377 OG SER A 27 -4.829 -10.141 5.472 1.00 0.00 O ATOM 0 H SER A 27 -2.550 -7.523 6.950 1.00 0.00 H new ATOM 0 HA SER A 27 -2.531 -8.797 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.853 -10.392 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.762 -9.302 7.020 1.00 0.00 H new ATOM 0 HG SER A 27 -5.115 -10.900 6.022 1.00 0.00 H new ATOM 383 N PHE A 28 -4.558 -7.835 3.278 1.00 0.00 N ATOM 384 CA PHE A 28 -5.669 -7.171 2.607 1.00 0.00 C ATOM 385 C PHE A 28 -6.264 -8.067 1.524 1.00 0.00 C ATOM 386 O PHE A 28 -5.756 -9.156 1.254 1.00 0.00 O ATOM 387 CB PHE A 28 -5.205 -5.849 1.993 1.00 0.00 C ATOM 388 CG PHE A 28 -3.905 -5.957 1.249 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.878 -6.394 -0.066 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.710 -5.622 1.864 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.683 -6.495 -0.753 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.512 -5.720 1.182 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.498 -6.158 -0.128 1.00 0.00 C ATOM 0 H PHE A 28 -3.986 -8.419 2.669 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.440 -6.967 3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.974 -5.484 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.101 -5.107 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.801 -6.659 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.714 -5.280 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.676 -6.837 -1.777 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.587 -5.454 1.673 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.563 -6.237 -0.662 1.00 0.00 H new ATOM 403 N LYS A 29 -7.344 -7.601 0.906 1.00 0.00 N ATOM 404 CA LYS A 29 -8.009 -8.357 -0.148 1.00 0.00 C ATOM 405 C LYS A 29 -8.134 -7.523 -1.420 1.00 0.00 C ATOM 406 O LYS A 29 -8.445 -6.333 -1.366 1.00 0.00 O ATOM 407 CB LYS A 29 -9.396 -8.808 0.316 1.00 0.00 C ATOM 408 CG LYS A 29 -9.358 -9.867 1.405 1.00 0.00 C ATOM 409 CD LYS A 29 -9.006 -11.233 0.841 1.00 0.00 C ATOM 410 CE LYS A 29 -10.246 -11.979 0.371 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.555 -11.696 -1.057 1.00 0.00 N ATOM 0 H LYS A 29 -7.778 -6.702 1.117 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.402 -9.236 -0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.947 -7.942 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.947 -9.198 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.627 -9.585 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.328 -9.916 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.313 -11.116 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.493 -11.821 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.098 -13.051 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.097 -11.695 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.945 -12.550 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.252 -10.926 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.685 -11.413 -1.551 1.00 0.00 H new ATOM 425 N LYS A 30 -7.891 -8.156 -2.563 1.00 0.00 N ATOM 426 CA LYS A 30 -7.979 -7.474 -3.849 1.00 0.00 C ATOM 427 C LYS A 30 -9.108 -6.448 -3.845 1.00 0.00 C ATOM 428 O LYS A 30 -10.236 -6.754 -3.462 1.00 0.00 O ATOM 429 CB LYS A 30 -8.201 -8.488 -4.973 1.00 0.00 C ATOM 430 CG LYS A 30 -8.252 -7.862 -6.356 1.00 0.00 C ATOM 431 CD LYS A 30 -8.158 -8.915 -7.448 1.00 0.00 C ATOM 432 CE LYS A 30 -8.829 -8.448 -8.731 1.00 0.00 C ATOM 433 NZ LYS A 30 -8.878 -9.527 -9.755 1.00 0.00 N ATOM 0 H LYS A 30 -7.632 -9.141 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.038 -6.952 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.400 -9.227 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.134 -9.022 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.180 -7.301 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.434 -7.150 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.111 -9.143 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.626 -9.838 -7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.842 -8.111 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.289 -7.591 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.342 -9.169 -10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.911 -9.831 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.415 -10.335 -9.382 1.00 0.00 H new ATOM 447 N GLY A 31 -8.796 -5.230 -4.275 1.00 0.00 N ATOM 448 CA GLY A 31 -9.795 -4.178 -4.314 1.00 0.00 C ATOM 449 C GLY A 31 -9.757 -3.296 -3.082 1.00 0.00 C ATOM 450 O GLY A 31 -9.954 -2.084 -3.172 1.00 0.00 O ATOM 0 H GLY A 31 -7.869 -4.952 -4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.638 -3.565 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.785 -4.625 -4.407 1.00 0.00 H new ATOM 454 N ALA A 32 -9.504 -3.904 -1.928 1.00 0.00 N ATOM 455 CA ALA A 32 -9.441 -3.166 -0.673 1.00 0.00 C ATOM 456 C ALA A 32 -8.625 -1.887 -0.829 1.00 0.00 C ATOM 457 O ALA A 32 -7.586 -1.879 -1.489 1.00 0.00 O ATOM 458 CB ALA A 32 -8.851 -4.040 0.424 1.00 0.00 C ATOM 0 H ALA A 32 -9.339 -4.906 -1.836 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.457 -2.886 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.810 -3.476 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.476 -4.923 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.844 -4.348 0.142 1.00 0.00 H new ATOM 464 N SER A 33 -9.104 -0.807 -0.219 1.00 0.00 N ATOM 465 CA SER A 33 -8.421 0.479 -0.295 1.00 0.00 C ATOM 466 C SER A 33 -7.306 0.563 0.743 1.00 0.00 C ATOM 467 O SER A 33 -7.518 0.284 1.924 1.00 0.00 O ATOM 468 CB SER A 33 -9.416 1.622 -0.085 1.00 0.00 C ATOM 469 OG SER A 33 -8.806 2.879 -0.319 1.00 0.00 O ATOM 0 H SER A 33 -9.962 -0.797 0.333 1.00 0.00 H new ATOM 0 HA SER A 33 -7.979 0.570 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.266 1.496 -0.756 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.805 1.587 0.933 1.00 0.00 H new ATOM 0 HG SER A 33 -9.463 3.593 -0.180 1.00 0.00 H new ATOM 475 N LEU A 34 -6.117 0.950 0.294 1.00 0.00 N ATOM 476 CA LEU A 34 -4.966 1.072 1.183 1.00 0.00 C ATOM 477 C LEU A 34 -4.289 2.429 1.014 1.00 0.00 C ATOM 478 O LEU A 34 -4.032 2.871 -0.106 1.00 0.00 O ATOM 479 CB LEU A 34 -3.962 -0.049 0.906 1.00 0.00 C ATOM 480 CG LEU A 34 -4.547 -1.456 0.776 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.702 -2.299 -0.167 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.649 -2.120 2.142 1.00 0.00 C ATOM 0 H LEU A 34 -5.924 1.185 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.321 0.989 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.428 0.188 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.225 -0.056 1.709 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.551 -1.375 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.133 -3.297 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.680 -1.832 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.686 -2.373 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.067 -3.120 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.657 -2.189 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.296 -1.526 2.788 1.00 0.00 H new ATOM 494 N LEU A 35 -4.002 3.084 2.134 1.00 0.00 N ATOM 495 CA LEU A 35 -3.353 4.390 2.111 1.00 0.00 C ATOM 496 C LEU A 35 -1.848 4.253 2.322 1.00 0.00 C ATOM 497 O LEU A 35 -1.399 3.681 3.316 1.00 0.00 O ATOM 498 CB LEU A 35 -3.950 5.297 3.188 1.00 0.00 C ATOM 499 CG LEU A 35 -3.980 6.792 2.865 1.00 0.00 C ATOM 500 CD1 LEU A 35 -5.114 7.107 1.901 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.119 7.610 4.140 1.00 0.00 C ATOM 0 H LEU A 35 -4.208 2.732 3.069 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.525 4.837 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.970 4.968 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.384 5.156 4.109 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.038 7.060 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.120 8.175 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.971 6.548 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.065 6.824 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.139 8.671 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.045 7.339 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.273 7.407 4.797 1.00 0.00 H new ATOM 513 N LEU A 36 -1.074 4.785 1.382 1.00 0.00 N ATOM 514 CA LEU A 36 0.382 4.725 1.466 1.00 0.00 C ATOM 515 C LEU A 36 0.951 6.040 1.988 1.00 0.00 C ATOM 516 O LEU A 36 0.463 7.118 1.649 1.00 0.00 O ATOM 517 CB LEU A 36 0.978 4.406 0.094 1.00 0.00 C ATOM 518 CG LEU A 36 0.393 3.191 -0.626 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.041 3.016 -1.991 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.570 1.935 0.215 1.00 0.00 C ATOM 0 H LEU A 36 -1.430 5.262 0.554 1.00 0.00 H new ATOM 0 HA LEU A 36 0.650 3.932 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.851 5.279 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.050 4.251 0.213 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.674 3.359 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.612 2.146 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.862 3.905 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.114 2.871 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.148 1.081 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.632 1.763 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.058 2.061 1.169 1.00 0.00 H new ATOM 532 N TYR A 37 1.988 5.943 2.813 1.00 0.00 N ATOM 533 CA TYR A 37 2.625 7.125 3.382 1.00 0.00 C ATOM 534 C TYR A 37 4.014 7.336 2.786 1.00 0.00 C ATOM 535 O TYR A 37 4.369 8.446 2.392 1.00 0.00 O ATOM 536 CB TYR A 37 2.725 6.994 4.903 1.00 0.00 C ATOM 537 CG TYR A 37 1.387 6.815 5.584 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.308 7.629 5.262 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.203 5.834 6.551 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.916 7.471 5.883 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.018 5.668 7.175 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.074 6.488 6.838 1.00 0.00 C ATOM 543 OH TYR A 37 -2.292 6.326 7.459 1.00 0.00 O ATOM 0 H TYR A 37 2.405 5.058 3.102 1.00 0.00 H new ATOM 0 HA TYR A 37 2.010 7.991 3.138 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.363 6.144 5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.212 7.883 5.305 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.428 8.398 4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.028 5.191 6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.744 8.113 5.622 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.145 4.900 7.923 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.009 6.593 6.847 1.00 0.00 H new ATOM 553 N GLN A 38 4.793 6.261 2.724 1.00 0.00 N ATOM 554 CA GLN A 38 6.143 6.327 2.176 1.00 0.00 C ATOM 555 C GLN A 38 6.564 4.979 1.601 1.00 0.00 C ATOM 556 O GLN A 38 5.903 3.965 1.823 1.00 0.00 O ATOM 557 CB GLN A 38 7.133 6.767 3.256 1.00 0.00 C ATOM 558 CG GLN A 38 6.986 6.004 4.563 1.00 0.00 C ATOM 559 CD GLN A 38 7.461 6.802 5.761 1.00 0.00 C ATOM 560 OE1 GLN A 38 8.661 6.892 6.025 1.00 0.00 O ATOM 561 NE2 GLN A 38 6.521 7.387 6.494 1.00 0.00 N ATOM 0 H GLN A 38 4.513 5.335 3.046 1.00 0.00 H new ATOM 0 HA GLN A 38 6.146 7.061 1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.148 6.637 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.998 7.831 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.940 5.731 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.552 5.075 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.539 7.286 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.781 7.937 7.312 1.00 0.00 H new ATOM 570 N ARG A 39 7.668 4.976 0.862 1.00 0.00 N ATOM 571 CA ARG A 39 8.177 3.752 0.254 1.00 0.00 C ATOM 572 C ARG A 39 9.356 3.198 1.050 1.00 0.00 C ATOM 573 O ARG A 39 10.448 3.764 1.034 1.00 0.00 O ATOM 574 CB ARG A 39 8.602 4.014 -1.192 1.00 0.00 C ATOM 575 CG ARG A 39 9.046 2.763 -1.932 1.00 0.00 C ATOM 576 CD ARG A 39 7.874 2.072 -2.611 1.00 0.00 C ATOM 577 NE ARG A 39 8.310 1.167 -3.671 1.00 0.00 N ATOM 578 CZ ARG A 39 8.811 1.580 -4.830 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.938 2.877 -5.077 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.186 0.695 -5.745 1.00 0.00 N ATOM 0 H ARG A 39 8.227 5.807 0.670 1.00 0.00 H new ATOM 0 HA ARG A 39 7.376 3.012 0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.770 4.468 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.417 4.737 -1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.796 3.027 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.520 2.074 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.304 1.513 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.203 2.823 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 39 8.225 0.163 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.651 3.560 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.323 3.191 -5.968 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.090 -0.303 -5.559 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.571 1.013 -6.635 1.00 0.00 H new ATOM 594 N ALA A 40 9.125 2.090 1.745 1.00 0.00 N ATOM 595 CA ALA A 40 10.167 1.459 2.546 1.00 0.00 C ATOM 596 C ALA A 40 11.280 0.908 1.662 1.00 0.00 C ATOM 597 O ALA A 40 12.463 1.090 1.950 1.00 0.00 O ATOM 598 CB ALA A 40 9.575 0.352 3.405 1.00 0.00 C ATOM 0 H ALA A 40 8.225 1.610 1.770 1.00 0.00 H new ATOM 0 HA ALA A 40 10.599 2.218 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.364 -0.110 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.820 0.772 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.115 -0.400 2.764 1.00 0.00 H new ATOM 604 N SER A 41 10.894 0.232 0.584 1.00 0.00 N ATOM 605 CA SER A 41 11.860 -0.350 -0.340 1.00 0.00 C ATOM 606 C SER A 41 11.281 -0.437 -1.749 1.00 0.00 C ATOM 607 O SER A 41 10.142 -0.035 -1.989 1.00 0.00 O ATOM 608 CB SER A 41 12.280 -1.742 0.137 1.00 0.00 C ATOM 609 OG SER A 41 13.396 -1.668 1.007 1.00 0.00 O ATOM 0 H SER A 41 9.919 0.074 0.329 1.00 0.00 H new ATOM 0 HA SER A 41 12.736 0.298 -0.365 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.446 -2.221 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.526 -2.366 -0.723 1.00 0.00 H new ATOM 0 HG SER A 41 13.367 -0.825 1.505 1.00 0.00 H new ATOM 615 N ASP A 42 12.073 -0.964 -2.676 1.00 0.00 N ATOM 616 CA ASP A 42 11.640 -1.105 -4.061 1.00 0.00 C ATOM 617 C ASP A 42 10.564 -2.180 -4.188 1.00 0.00 C ATOM 618 O ASP A 42 9.876 -2.266 -5.204 1.00 0.00 O ATOM 619 CB ASP A 42 12.830 -1.449 -4.958 1.00 0.00 C ATOM 620 CG ASP A 42 14.056 -0.616 -4.637 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.059 0.587 -4.970 1.00 0.00 O ATOM 622 OD2 ASP A 42 15.013 -1.168 -4.054 1.00 0.00 O ATOM 0 H ASP A 42 13.018 -1.301 -2.493 1.00 0.00 H new ATOM 0 HA ASP A 42 11.217 -0.153 -4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.073 -2.506 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.552 -1.295 -6.001 1.00 0.00 H new ATOM 627 N ASP A 43 10.428 -2.997 -3.149 1.00 0.00 N ATOM 628 CA ASP A 43 9.436 -4.067 -3.144 1.00 0.00 C ATOM 629 C ASP A 43 8.605 -4.031 -1.865 1.00 0.00 C ATOM 630 O ASP A 43 8.087 -5.056 -1.421 1.00 0.00 O ATOM 631 CB ASP A 43 10.122 -5.427 -3.284 1.00 0.00 C ATOM 632 CG ASP A 43 9.231 -6.459 -3.947 1.00 0.00 C ATOM 633 OD1 ASP A 43 8.189 -6.810 -3.355 1.00 0.00 O ATOM 634 OD2 ASP A 43 9.577 -6.916 -5.056 1.00 0.00 O ATOM 0 H ASP A 43 10.991 -2.939 -2.300 1.00 0.00 H new ATOM 0 HA ASP A 43 8.769 -3.916 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.036 -5.312 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.417 -5.785 -2.298 1.00 0.00 H new ATOM 639 N TRP A 44 8.483 -2.846 -1.278 1.00 0.00 N ATOM 640 CA TRP A 44 7.716 -2.677 -0.050 1.00 0.00 C ATOM 641 C TRP A 44 7.209 -1.245 0.084 1.00 0.00 C ATOM 642 O TRP A 44 7.710 -0.336 -0.579 1.00 0.00 O ATOM 643 CB TRP A 44 8.571 -3.044 1.165 1.00 0.00 C ATOM 644 CG TRP A 44 8.878 -4.508 1.255 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.108 -5.095 1.165 1.00 0.00 C ATOM 646 CD2 TRP A 44 7.938 -5.570 1.450 1.00 0.00 C ATOM 647 NE1 TRP A 44 9.989 -6.457 1.293 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.669 -6.774 1.469 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.551 -5.621 1.612 1.00 0.00 C ATOM 650 CZ2 TRP A 44 8.057 -8.013 1.643 1.00 0.00 C ATOM 651 CZ3 TRP A 44 5.945 -6.851 1.784 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.697 -8.033 1.799 1.00 0.00 C ATOM 0 H TRP A 44 8.906 -1.988 -1.633 1.00 0.00 H new ATOM 0 HA TRP A 44 6.855 -3.344 -0.095 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.506 -2.486 1.124 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.053 -2.732 2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.037 -4.566 1.015 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.760 -7.125 1.262 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.963 -4.715 1.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.635 -8.925 1.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.873 -6.902 1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.194 -8.979 1.936 1.00 0.00 H new ATOM 663 N TRP A 45 6.215 -1.052 0.943 1.00 0.00 N ATOM 664 CA TRP A 45 5.641 0.271 1.162 1.00 0.00 C ATOM 665 C TRP A 45 5.315 0.485 2.636 1.00 0.00 C ATOM 666 O TRP A 45 5.301 -0.462 3.421 1.00 0.00 O ATOM 667 CB TRP A 45 4.379 0.449 0.316 1.00 0.00 C ATOM 668 CG TRP A 45 4.666 0.811 -1.109 1.00 0.00 C ATOM 669 CD1 TRP A 45 4.999 -0.043 -2.122 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.647 2.124 -1.680 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.188 0.660 -3.287 1.00 0.00 N ATOM 672 CE2 TRP A 45 4.977 1.991 -3.043 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.381 3.399 -1.173 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.049 3.085 -3.902 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.453 4.484 -2.027 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.784 4.321 -3.379 1.00 0.00 C ATOM 0 H TRP A 45 5.790 -1.794 1.499 1.00 0.00 H new ATOM 0 HA TRP A 45 6.379 1.015 0.861 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.801 -0.475 0.339 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.757 1.225 0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.099 -1.114 -2.022 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.444 0.256 -4.188 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.124 3.534 -0.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.305 2.962 -4.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.251 5.474 -1.646 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.831 5.188 -4.021 1.00 0.00 H new ATOM 687 N GLU A 46 5.053 1.735 3.004 1.00 0.00 N ATOM 688 CA GLU A 46 4.727 2.072 4.385 1.00 0.00 C ATOM 689 C GLU A 46 3.435 2.881 4.457 1.00 0.00 C ATOM 690 O GLU A 46 3.446 4.103 4.313 1.00 0.00 O ATOM 691 CB GLU A 46 5.872 2.860 5.025 1.00 0.00 C ATOM 692 CG GLU A 46 7.178 2.088 5.094 1.00 0.00 C ATOM 693 CD GLU A 46 8.035 2.495 6.277 1.00 0.00 C ATOM 694 OE1 GLU A 46 7.782 1.997 7.393 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.960 3.313 6.085 1.00 0.00 O ATOM 0 H GLU A 46 5.060 2.531 2.366 1.00 0.00 H new ATOM 0 HA GLU A 46 4.584 1.142 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.032 3.777 4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.580 3.155 6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.962 1.021 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.738 2.246 4.173 1.00 0.00 H new ATOM 702 N GLY A 47 2.322 2.189 4.681 1.00 0.00 N ATOM 703 CA GLY A 47 1.037 2.859 4.768 1.00 0.00 C ATOM 704 C GLY A 47 0.206 2.369 5.937 1.00 0.00 C ATOM 705 O GLY A 47 0.747 1.886 6.933 1.00 0.00 O ATOM 0 H GLY A 47 2.287 1.177 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.196 3.933 4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.485 2.701 3.842 1.00 0.00 H new ATOM 709 N ARG A 48 -1.111 2.493 5.818 1.00 0.00 N ATOM 710 CA ARG A 48 -2.018 2.062 6.875 1.00 0.00 C ATOM 711 C ARG A 48 -3.168 1.238 6.302 1.00 0.00 C ATOM 712 O ARG A 48 -3.621 1.478 5.183 1.00 0.00 O ATOM 713 CB ARG A 48 -2.571 3.274 7.628 1.00 0.00 C ATOM 714 CG ARG A 48 -3.681 2.928 8.607 1.00 0.00 C ATOM 715 CD ARG A 48 -4.606 4.112 8.841 1.00 0.00 C ATOM 716 NE ARG A 48 -5.675 4.176 7.847 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.342 5.287 7.557 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.052 6.421 8.180 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.301 5.266 6.640 1.00 0.00 N ATOM 0 H ARG A 48 -1.574 2.889 5.000 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.456 1.437 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.758 3.757 8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.947 3.999 6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.256 2.085 8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.246 2.612 9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.041 4.040 9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.028 5.035 8.811 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.922 3.321 7.349 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.315 6.442 8.884 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.566 7.273 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.526 4.396 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.813 6.120 6.418 1.00 0.00 H new ATOM 733 N HIS A 49 -3.635 0.264 7.078 1.00 0.00 N ATOM 734 CA HIS A 49 -4.732 -0.596 6.648 1.00 0.00 C ATOM 735 C HIS A 49 -5.702 -0.855 7.796 1.00 0.00 C ATOM 736 O HIS A 49 -5.354 -1.508 8.779 1.00 0.00 O ATOM 737 CB HIS A 49 -4.189 -1.922 6.114 1.00 0.00 C ATOM 738 CG HIS A 49 -5.254 -2.939 5.841 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.332 -4.145 6.506 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.290 -2.923 4.970 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.368 -4.827 6.054 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.967 -4.108 5.122 1.00 0.00 N ATOM 0 H HIS A 49 -3.271 0.051 8.007 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.270 -0.085 5.850 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.634 -1.734 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.482 -2.333 6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.538 -2.127 4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.674 -5.807 6.390 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.798 -4.388 4.600 1.00 0.00 H new ATOM 751 N ASN A 50 -6.919 -0.337 7.665 1.00 0.00 N ATOM 752 CA ASN A 50 -7.939 -0.511 8.693 1.00 0.00 C ATOM 753 C ASN A 50 -7.430 -0.036 10.050 1.00 0.00 C ATOM 754 O ASN A 50 -7.700 -0.655 11.078 1.00 0.00 O ATOM 755 CB ASN A 50 -8.360 -1.980 8.779 1.00 0.00 C ATOM 756 CG ASN A 50 -9.746 -2.150 9.370 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.365 -1.185 9.818 1.00 0.00 O ATOM 758 ND2 ASN A 50 -10.240 -3.383 9.374 1.00 0.00 N ATOM 0 H ASN A 50 -7.223 0.207 6.857 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.804 0.093 8.418 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.336 -2.421 7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.639 -2.527 9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.168 -3.559 9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.691 -4.153 8.992 1.00 0.00 H new ATOM 765 N GLY A 51 -6.691 1.070 10.045 1.00 0.00 N ATOM 766 CA GLY A 51 -6.157 1.611 11.281 1.00 0.00 C ATOM 767 C GLY A 51 -4.958 0.831 11.784 1.00 0.00 C ATOM 768 O GLY A 51 -4.761 0.694 12.992 1.00 0.00 O ATOM 0 H GLY A 51 -6.453 1.600 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.871 2.651 11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.936 1.606 12.043 1.00 0.00 H new ATOM 772 N ILE A 52 -4.156 0.319 10.857 1.00 0.00 N ATOM 773 CA ILE A 52 -2.971 -0.452 11.214 1.00 0.00 C ATOM 774 C ILE A 52 -1.787 -0.081 10.327 1.00 0.00 C ATOM 775 O ILE A 52 -1.849 -0.212 9.105 1.00 0.00 O ATOM 776 CB ILE A 52 -3.229 -1.966 11.100 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.466 -2.357 11.911 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.011 -2.747 11.571 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.957 -3.759 11.625 1.00 0.00 C ATOM 0 H ILE A 52 -4.305 0.424 9.853 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.736 -0.209 12.250 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.412 -2.211 10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.237 -2.271 12.973 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.268 -1.650 11.700 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.208 -3.816 11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.151 -2.486 10.955 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.800 -2.500 12.612 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.836 -3.968 12.235 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.218 -3.845 10.570 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.171 -4.476 11.864 1.00 0.00 H new ATOM 791 N ASP A 53 -0.709 0.381 10.952 1.00 0.00 N ATOM 792 CA ASP A 53 0.491 0.768 10.220 1.00 0.00 C ATOM 793 C ASP A 53 1.436 -0.419 10.060 1.00 0.00 C ATOM 794 O ASP A 53 1.744 -1.116 11.026 1.00 0.00 O ATOM 795 CB ASP A 53 1.207 1.912 10.940 1.00 0.00 C ATOM 796 CG ASP A 53 2.146 1.417 12.023 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.660 0.789 12.987 1.00 0.00 O ATOM 798 OD2 ASP A 53 3.366 1.658 11.907 1.00 0.00 O ATOM 0 H ASP A 53 -0.642 0.496 11.963 1.00 0.00 H new ATOM 0 HA ASP A 53 0.189 1.106 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.771 2.498 10.214 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.467 2.579 11.382 1.00 0.00 H new ATOM 803 N GLY A 54 1.893 -0.644 8.831 1.00 0.00 N ATOM 804 CA GLY A 54 2.798 -1.747 8.567 1.00 0.00 C ATOM 805 C GLY A 54 3.454 -1.645 7.204 1.00 0.00 C ATOM 806 O GLY A 54 3.758 -0.548 6.734 1.00 0.00 O ATOM 0 H GLY A 54 1.652 -0.082 8.014 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.569 -1.773 9.337 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.250 -2.687 8.634 1.00 0.00 H new ATOM 810 N LEU A 55 3.676 -2.790 6.569 1.00 0.00 N ATOM 811 CA LEU A 55 4.303 -2.826 5.252 1.00 0.00 C ATOM 812 C LEU A 55 3.318 -3.310 4.193 1.00 0.00 C ATOM 813 O LEU A 55 2.367 -4.030 4.499 1.00 0.00 O ATOM 814 CB LEU A 55 5.533 -3.735 5.275 1.00 0.00 C ATOM 815 CG LEU A 55 6.796 -3.140 5.900 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.893 -4.189 5.988 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.270 -1.936 5.099 1.00 0.00 C ATOM 0 H LEU A 55 3.431 -3.706 6.944 1.00 0.00 H new ATOM 0 HA LEU A 55 4.613 -1.813 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.277 -4.645 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.762 -4.029 4.251 1.00 0.00 H new ATOM 0 HG LEU A 55 6.557 -2.808 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.784 -3.747 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.552 -5.021 6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.131 -4.552 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.169 -1.525 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.492 -2.243 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.489 -1.176 5.088 1.00 0.00 H new ATOM 829 N ILE A 56 3.554 -2.913 2.947 1.00 0.00 N ATOM 830 CA ILE A 56 2.690 -3.309 1.842 1.00 0.00 C ATOM 831 C ILE A 56 3.507 -3.665 0.605 1.00 0.00 C ATOM 832 O ILE A 56 4.378 -2.911 0.168 1.00 0.00 O ATOM 833 CB ILE A 56 1.691 -2.194 1.481 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.755 -1.917 2.659 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.893 -2.578 0.244 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.080 -0.565 2.590 1.00 0.00 C ATOM 0 H ILE A 56 4.337 -2.317 2.678 1.00 0.00 H new ATOM 0 HA ILE A 56 2.137 -4.188 2.174 1.00 0.00 H new ATOM 0 HB ILE A 56 2.249 -1.284 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.009 -2.694 2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.323 -1.984 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.191 -1.780 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.573 -2.731 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.343 -3.499 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.568 -0.437 3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.837 0.220 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.516 -0.502 1.679 1.00 0.00 H new ATOM 848 N PRO A 57 3.221 -4.839 0.024 1.00 0.00 N ATOM 849 CA PRO A 57 3.917 -5.321 -1.173 1.00 0.00 C ATOM 850 C PRO A 57 3.563 -4.509 -2.414 1.00 0.00 C ATOM 851 O PRO A 57 2.410 -4.125 -2.609 1.00 0.00 O ATOM 852 CB PRO A 57 3.421 -6.762 -1.316 1.00 0.00 C ATOM 853 CG PRO A 57 2.094 -6.774 -0.639 1.00 0.00 C ATOM 854 CD PRO A 57 2.196 -5.788 0.491 1.00 0.00 C ATOM 0 HA PRO A 57 5.000 -5.237 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.333 -7.049 -2.364 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.110 -7.466 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.300 -6.493 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.855 -7.770 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.244 -5.291 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.491 -6.272 1.422 1.00 0.00 H new ATOM 862 N HIS A 58 4.563 -4.252 -3.252 1.00 0.00 N ATOM 863 CA HIS A 58 4.356 -3.486 -4.477 1.00 0.00 C ATOM 864 C HIS A 58 3.917 -4.397 -5.619 1.00 0.00 C ATOM 865 O HIS A 58 3.646 -3.932 -6.726 1.00 0.00 O ATOM 866 CB HIS A 58 5.637 -2.746 -4.863 1.00 0.00 C ATOM 867 CG HIS A 58 5.491 -1.895 -6.086 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.250 -0.538 -6.035 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.556 -2.215 -7.400 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.171 -0.061 -7.264 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.353 -1.058 -8.111 1.00 0.00 N ATOM 0 H HIS A 58 5.524 -4.562 -3.106 1.00 0.00 H new ATOM 0 HA HIS A 58 3.566 -2.758 -4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.950 -2.118 -4.029 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.431 -3.474 -5.029 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.734 -3.197 -7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.989 0.969 -7.531 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.344 -0.981 -9.128 1.00 0.00 H new ATOM 879 N GLN A 59 3.850 -5.696 -5.342 1.00 0.00 N ATOM 880 CA GLN A 59 3.445 -6.671 -6.348 1.00 0.00 C ATOM 881 C GLN A 59 1.957 -6.984 -6.235 1.00 0.00 C ATOM 882 O GLN A 59 1.330 -7.423 -7.199 1.00 0.00 O ATOM 883 CB GLN A 59 4.261 -7.956 -6.200 1.00 0.00 C ATOM 884 CG GLN A 59 5.613 -7.901 -6.893 1.00 0.00 C ATOM 885 CD GLN A 59 5.501 -8.010 -8.401 1.00 0.00 C ATOM 886 OE1 GLN A 59 4.625 -8.702 -8.921 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.390 -7.326 -9.112 1.00 0.00 N ATOM 0 H GLN A 59 4.071 -6.097 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 59 3.633 -6.240 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.413 -8.160 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.688 -8.789 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.111 -6.966 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.241 -8.710 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.099 -6.765 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.364 -7.361 -10.131 1.00 0.00 H new ATOM 896 N TYR A 60 1.398 -6.755 -5.052 1.00 0.00 N ATOM 897 CA TYR A 60 -0.017 -7.015 -4.812 1.00 0.00 C ATOM 898 C TYR A 60 -0.786 -5.711 -4.621 1.00 0.00 C ATOM 899 O TYR A 60 -1.768 -5.660 -3.880 1.00 0.00 O ATOM 900 CB TYR A 60 -0.191 -7.908 -3.582 1.00 0.00 C ATOM 901 CG TYR A 60 0.435 -9.276 -3.734 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.813 -9.425 -3.823 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.353 -10.420 -3.787 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.389 -10.673 -3.962 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.214 -11.672 -3.925 1.00 0.00 C ATOM 906 CZ TYR A 60 1.585 -11.793 -4.012 1.00 0.00 C ATOM 907 OH TYR A 60 2.155 -13.038 -4.149 1.00 0.00 O ATOM 0 H TYR A 60 1.903 -6.390 -4.244 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.420 -7.528 -5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.248 -7.411 -2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.255 -8.025 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.445 -8.550 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.427 -10.328 -3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.462 -10.771 -4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.413 -12.551 -3.965 1.00 0.00 H new ATOM 0 HH TYR A 60 1.451 -13.720 -4.166 1.00 0.00 H new ATOM 917 N ILE A 61 -0.332 -4.660 -5.295 1.00 0.00 N ATOM 918 CA ILE A 61 -0.977 -3.357 -5.201 1.00 0.00 C ATOM 919 C ILE A 61 -0.611 -2.475 -6.390 1.00 0.00 C ATOM 920 O ILE A 61 0.438 -2.655 -7.011 1.00 0.00 O ATOM 921 CB ILE A 61 -0.592 -2.630 -3.900 1.00 0.00 C ATOM 922 CG1 ILE A 61 0.893 -2.260 -3.917 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.913 -3.498 -2.693 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.169 -0.895 -4.506 1.00 0.00 C ATOM 0 H ILE A 61 0.480 -4.686 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.052 -3.537 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.175 -1.712 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.279 -2.292 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.440 -3.010 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.635 -2.970 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.981 -3.716 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.353 -4.431 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.241 -0.700 -4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.814 -0.865 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.651 -0.135 -3.921 1.00 0.00 H new ATOM 936 N VAL A 62 -1.480 -1.520 -6.702 1.00 0.00 N ATOM 937 CA VAL A 62 -1.247 -0.607 -7.815 1.00 0.00 C ATOM 938 C VAL A 62 -1.186 0.839 -7.337 1.00 0.00 C ATOM 939 O VAL A 62 -2.190 1.402 -6.899 1.00 0.00 O ATOM 940 CB VAL A 62 -2.346 -0.736 -8.887 1.00 0.00 C ATOM 941 CG1 VAL A 62 -2.091 0.231 -10.033 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.430 -2.168 -9.394 1.00 0.00 C ATOM 0 H VAL A 62 -2.353 -1.358 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.288 -0.882 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.303 -0.479 -8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.878 0.125 -10.780 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.087 1.253 -9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.126 0.009 -10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.211 -2.241 -10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.474 -2.456 -9.831 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.665 -2.835 -8.564 1.00 0.00 H new ATOM 952 N VAL A 63 -0.002 1.436 -7.424 1.00 0.00 N ATOM 953 CA VAL A 63 0.191 2.818 -7.001 1.00 0.00 C ATOM 954 C VAL A 63 -0.360 3.791 -8.037 1.00 0.00 C ATOM 955 O VAL A 63 0.144 3.871 -9.157 1.00 0.00 O ATOM 956 CB VAL A 63 1.680 3.130 -6.761 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.872 4.603 -6.437 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.234 2.254 -5.647 1.00 0.00 C ATOM 0 H VAL A 63 0.839 0.984 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.353 2.941 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 63 2.232 2.909 -7.675 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.930 4.804 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.514 5.208 -7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.309 4.854 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.287 2.487 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.680 2.441 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.132 1.205 -5.924 1.00 0.00 H new