USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 522 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 9 HIS : no HD1:sc= -2.58! K(o=-2.6!,f=-0.93) USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= -0.0106 (180deg=-2.46!) USER MOD Single : A 15 MET CE :methyl 148:sc= -3.03! (180deg=-3.44!) USER MOD Single : A 16 HIS : no HD1:sc= -0.922 X(o=-0.92,f=-0.52) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.000907 USER MOD Single : A 37 THR OG1 : rot -39:sc= 0.773 USER MOD Single : A 41 SER OG : rot 52:sc= 0.361 USER MOD Single : A 42 SER OG : rot 156:sc= -1.11 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 145:sc= 0.324 USER MOD Single : A 51 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -53:sc= 0.218 USER MOD Single : A 65 MET CE :methyl -124:sc= 0 (180deg=-1.52!) USER MOD Single : A 67 MET CE :methyl -162:sc= -0.0195 (180deg=-0.609) USER MOD Single : A 70 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00908 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 100 TYR OH : rot -130:sc= -1.08! USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.153 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -7.638 -0.922 8.579 1.00 0.00 N ATOM 67 CA LEU A 8 -6.653 -0.433 7.629 1.00 0.00 C ATOM 68 C LEU A 8 -5.467 0.162 8.390 1.00 0.00 C ATOM 69 O LEU A 8 -4.322 0.039 7.957 1.00 0.00 O ATOM 70 CB LEU A 8 -7.300 0.540 6.641 1.00 0.00 C ATOM 71 CG LEU A 8 -8.459 -0.017 5.811 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.151 1.094 5.020 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.986 -1.157 4.906 1.00 0.00 C ATOM 0 HA LEU A 8 -6.265 -1.254 7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.661 1.405 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.530 0.899 5.958 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.199 -0.434 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.970 0.671 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.543 1.842 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.433 1.563 4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.828 -1.535 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.216 -0.788 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.576 -1.961 5.517 1.00 0.00 H new ATOM 85 N HIS A 9 -5.782 0.794 9.511 1.00 0.00 N ATOM 86 CA HIS A 9 -4.756 1.409 10.337 1.00 0.00 C ATOM 87 C HIS A 9 -3.777 0.337 10.822 1.00 0.00 C ATOM 88 O HIS A 9 -2.573 0.445 10.598 1.00 0.00 O ATOM 89 CB HIS A 9 -5.385 2.200 11.485 1.00 0.00 C ATOM 90 CG HIS A 9 -4.429 2.511 12.613 1.00 0.00 C ATOM 91 ND1 HIS A 9 -4.173 3.801 13.044 1.00 0.00 N ATOM 92 CD2 HIS A 9 -3.672 1.687 13.392 1.00 0.00 C ATOM 93 CE1 HIS A 9 -3.299 3.744 14.038 1.00 0.00 C ATOM 94 NE2 HIS A 9 -2.989 2.433 14.252 1.00 0.00 N ATOM 0 H HIS A 9 -6.733 0.894 9.867 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.190 2.128 9.745 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.784 3.135 11.092 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.228 1.635 11.882 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.634 0.610 13.321 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.902 4.587 14.583 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.340 2.083 14.957 1.00 0.00 H new ATOM 102 N ARG A 10 -4.332 -0.672 11.477 1.00 0.00 N ATOM 103 CA ARG A 10 -3.523 -1.763 11.995 1.00 0.00 C ATOM 104 C ARG A 10 -2.801 -2.478 10.851 1.00 0.00 C ATOM 105 O ARG A 10 -1.783 -3.133 11.068 1.00 0.00 O ATOM 106 CB ARG A 10 -4.383 -2.772 12.757 1.00 0.00 C ATOM 107 CG ARG A 10 -4.959 -3.827 11.810 1.00 0.00 C ATOM 108 CD ARG A 10 -4.118 -5.105 11.837 1.00 0.00 C ATOM 109 NE ARG A 10 -4.904 -6.217 12.416 1.00 0.00 N ATOM 110 CZ ARG A 10 -4.364 -7.308 12.975 1.00 0.00 C ATOM 111 NH1 ARG A 10 -3.031 -7.441 13.033 1.00 0.00 N ATOM 112 NH2 ARG A 10 -5.155 -8.267 13.476 1.00 0.00 N ATOM 0 H ARG A 10 -5.332 -0.757 11.661 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.791 -1.337 12.681 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.784 -3.258 13.527 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.195 -2.252 13.266 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.985 -4.057 12.096 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.992 -3.431 10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.799 -5.362 10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.214 -4.943 12.425 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.921 -6.148 12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.429 -6.712 12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.619 -8.272 13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.169 -8.166 13.432 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.743 -9.097 13.901 1.00 0.00 H new ATOM 126 N ILE A 11 -3.358 -2.330 9.658 1.00 0.00 N ATOM 127 CA ILE A 11 -2.780 -2.954 8.480 1.00 0.00 C ATOM 128 C ILE A 11 -1.593 -2.119 7.996 1.00 0.00 C ATOM 129 O ILE A 11 -0.556 -2.665 7.624 1.00 0.00 O ATOM 130 CB ILE A 11 -3.852 -3.175 7.411 1.00 0.00 C ATOM 131 CG1 ILE A 11 -4.907 -4.174 7.891 1.00 0.00 C ATOM 132 CG2 ILE A 11 -3.223 -3.601 6.083 1.00 0.00 C ATOM 133 CD1 ILE A 11 -6.066 -4.269 6.896 1.00 0.00 C ATOM 0 H ILE A 11 -4.203 -1.787 9.482 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.395 -3.944 8.724 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.361 -2.227 7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.451 -5.156 8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.285 -3.868 8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.007 -3.751 5.341 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.541 -2.824 5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.673 -4.531 6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.801 -4.986 7.261 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.535 -3.291 6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.688 -4.598 5.928 1.00 0.00 H new ATOM 145 N VAL A 12 -1.784 -0.808 8.017 1.00 0.00 N ATOM 146 CA VAL A 12 -0.742 0.108 7.586 1.00 0.00 C ATOM 147 C VAL A 12 0.476 -0.046 8.498 1.00 0.00 C ATOM 148 O VAL A 12 1.612 -0.062 8.025 1.00 0.00 O ATOM 149 CB VAL A 12 -1.284 1.538 7.549 1.00 0.00 C ATOM 150 CG1 VAL A 12 -0.159 2.545 7.306 1.00 0.00 C ATOM 151 CG2 VAL A 12 -2.385 1.681 6.496 1.00 0.00 C ATOM 0 H VAL A 12 -2.646 -0.358 8.326 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.421 -0.130 6.572 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.723 1.755 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.572 3.554 7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.575 2.471 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.322 2.329 6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.753 2.707 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.983 1.435 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.205 1.003 6.733 1.00 0.00 H new ATOM 161 N ASP A 13 0.199 -0.156 9.789 1.00 0.00 N ATOM 162 CA ASP A 13 1.258 -0.309 10.772 1.00 0.00 C ATOM 163 C ASP A 13 2.122 -1.516 10.400 1.00 0.00 C ATOM 164 O ASP A 13 3.343 -1.402 10.299 1.00 0.00 O ATOM 165 CB ASP A 13 0.683 -0.551 12.168 1.00 0.00 C ATOM 166 CG ASP A 13 0.312 0.715 12.943 1.00 0.00 C ATOM 167 OD1 ASP A 13 0.063 1.739 12.271 1.00 0.00 O ATOM 168 OD2 ASP A 13 0.285 0.630 14.190 1.00 0.00 O ATOM 0 H ASP A 13 -0.744 -0.142 10.177 1.00 0.00 H new ATOM 0 HA ASP A 13 1.847 0.608 10.779 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.205 -1.176 12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.410 -1.116 12.751 1.00 0.00 H new ATOM 173 N LYS A 14 1.455 -2.644 10.208 1.00 0.00 N ATOM 174 CA LYS A 14 2.147 -3.871 9.851 1.00 0.00 C ATOM 175 C LYS A 14 3.026 -3.617 8.624 1.00 0.00 C ATOM 176 O LYS A 14 4.230 -3.867 8.656 1.00 0.00 O ATOM 177 CB LYS A 14 1.148 -5.015 9.665 1.00 0.00 C ATOM 178 CG LYS A 14 1.524 -6.217 10.533 1.00 0.00 C ATOM 179 CD LYS A 14 0.291 -6.799 11.227 1.00 0.00 C ATOM 180 CE LYS A 14 0.695 -7.786 12.325 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.319 -8.856 12.459 1.00 0.00 N ATOM 0 H LYS A 14 0.443 -2.734 10.293 1.00 0.00 H new ATOM 0 HA LYS A 14 2.808 -4.184 10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.146 -4.673 9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.122 -5.313 8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.994 -6.983 9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.258 -5.915 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.303 -5.993 11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.340 -7.303 10.494 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.665 -8.224 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.804 -7.260 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.637 -8.911 13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.132 -8.643 11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.098 -9.766 12.178 1.00 0.00 H new ATOM 195 N MET A 15 2.390 -3.123 7.572 1.00 0.00 N ATOM 196 CA MET A 15 3.098 -2.832 6.338 1.00 0.00 C ATOM 197 C MET A 15 4.359 -2.009 6.610 1.00 0.00 C ATOM 198 O MET A 15 5.439 -2.341 6.124 1.00 0.00 O ATOM 199 CB MET A 15 2.178 -2.060 5.390 1.00 0.00 C ATOM 200 CG MET A 15 0.939 -2.884 5.036 1.00 0.00 C ATOM 201 SD MET A 15 -0.417 -1.800 4.620 1.00 0.00 S ATOM 202 CE MET A 15 -0.250 -1.764 2.843 1.00 0.00 C ATOM 0 H MET A 15 1.391 -2.917 7.549 1.00 0.00 H new ATOM 0 HA MET A 15 3.395 -3.776 5.881 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.875 -1.122 5.856 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.720 -1.803 4.480 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.159 -3.544 4.197 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.662 -3.520 5.877 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.234 -1.653 2.387 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.381 -0.924 2.554 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.205 -2.694 2.501 1.00 0.00 H new ATOM 212 N HIS A 16 4.179 -0.950 7.386 1.00 0.00 N ATOM 213 CA HIS A 16 5.289 -0.077 7.729 1.00 0.00 C ATOM 214 C HIS A 16 6.501 -0.920 8.129 1.00 0.00 C ATOM 215 O HIS A 16 7.639 -0.552 7.842 1.00 0.00 O ATOM 216 CB HIS A 16 4.878 0.923 8.812 1.00 0.00 C ATOM 217 CG HIS A 16 4.265 2.194 8.274 1.00 0.00 C ATOM 218 ND1 HIS A 16 4.883 2.977 7.314 1.00 0.00 N ATOM 219 CD2 HIS A 16 3.085 2.809 8.570 1.00 0.00 C ATOM 220 CE1 HIS A 16 4.101 4.014 7.053 1.00 0.00 C ATOM 221 NE2 HIS A 16 2.987 3.909 7.833 1.00 0.00 N ATOM 0 H HIS A 16 3.282 -0.677 7.787 1.00 0.00 H new ATOM 0 HA HIS A 16 5.574 0.514 6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.165 0.444 9.483 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.754 1.178 9.408 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.353 2.460 9.284 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.309 4.804 6.347 1.00 0.00 H new ATOM 0 HE2 HIS A 16 2.208 4.567 7.848 1.00 0.00 H new ATOM 229 N ASP A 17 6.216 -2.035 8.785 1.00 0.00 N ATOM 230 CA ASP A 17 7.268 -2.933 9.228 1.00 0.00 C ATOM 231 C ASP A 17 7.898 -3.612 8.010 1.00 0.00 C ATOM 232 O ASP A 17 7.325 -3.600 6.922 1.00 0.00 O ATOM 233 CB ASP A 17 6.712 -4.025 10.143 1.00 0.00 C ATOM 234 CG ASP A 17 7.759 -4.768 10.975 1.00 0.00 C ATOM 235 OD1 ASP A 17 8.058 -4.275 12.084 1.00 0.00 O ATOM 236 OD2 ASP A 17 8.238 -5.813 10.482 1.00 0.00 O ATOM 0 H ASP A 17 5.271 -2.337 9.020 1.00 0.00 H new ATOM 0 HA ASP A 17 8.005 -2.345 9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.985 -3.576 10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.174 -4.750 9.532 1.00 0.00 H new ATOM 241 N THR A 18 9.070 -4.189 8.235 1.00 0.00 N ATOM 242 CA THR A 18 9.784 -4.872 7.169 1.00 0.00 C ATOM 243 C THR A 18 9.863 -6.372 7.457 1.00 0.00 C ATOM 244 O THR A 18 9.938 -7.182 6.534 1.00 0.00 O ATOM 245 CB THR A 18 11.155 -4.209 7.018 1.00 0.00 C ATOM 246 OG1 THR A 18 11.907 -5.139 6.244 1.00 0.00 O ATOM 247 CG2 THR A 18 11.915 -4.127 8.344 1.00 0.00 C ATOM 0 H THR A 18 9.542 -4.198 9.139 1.00 0.00 H new ATOM 0 HA THR A 18 9.257 -4.782 6.219 1.00 0.00 H new ATOM 0 HB THR A 18 11.030 -3.207 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.810 -4.788 6.097 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.881 -3.649 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.337 -3.542 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.070 -5.132 8.737 1.00 0.00 H new ATOM 255 N SER A 19 9.844 -6.698 8.741 1.00 0.00 N ATOM 256 CA SER A 19 9.913 -8.087 9.162 1.00 0.00 C ATOM 257 C SER A 19 8.624 -8.815 8.775 1.00 0.00 C ATOM 258 O SER A 19 8.649 -9.741 7.966 1.00 0.00 O ATOM 259 CB SER A 19 10.151 -8.194 10.670 1.00 0.00 C ATOM 260 OG SER A 19 11.492 -8.569 10.973 1.00 0.00 O ATOM 0 H SER A 19 9.782 -6.024 9.504 1.00 0.00 H new ATOM 0 HA SER A 19 10.755 -8.557 8.654 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.927 -7.237 11.141 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.465 -8.927 11.094 1.00 0.00 H new ATOM 0 HG SER A 19 11.604 -8.625 11.945 1.00 0.00 H new ATOM 266 N THR A 20 7.528 -8.370 9.372 1.00 0.00 N ATOM 267 CA THR A 20 6.232 -8.968 9.100 1.00 0.00 C ATOM 268 C THR A 20 5.437 -8.096 8.126 1.00 0.00 C ATOM 269 O THR A 20 4.462 -8.554 7.532 1.00 0.00 O ATOM 270 CB THR A 20 5.522 -9.187 10.438 1.00 0.00 C ATOM 271 OG1 THR A 20 4.170 -9.452 10.074 1.00 0.00 O ATOM 272 CG2 THR A 20 5.439 -7.908 11.273 1.00 0.00 C ATOM 0 H THR A 20 7.511 -7.602 10.043 1.00 0.00 H new ATOM 0 HA THR A 20 6.338 -9.936 8.610 1.00 0.00 H new ATOM 0 HB THR A 20 6.045 -9.957 11.005 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.638 -9.608 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.926 -8.119 12.212 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.445 -7.544 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.886 -7.148 10.721 1.00 0.00 H new ATOM 280 N GLY A 21 5.883 -6.856 7.992 1.00 0.00 N ATOM 281 CA GLY A 21 5.225 -5.916 7.100 1.00 0.00 C ATOM 282 C GLY A 21 5.472 -6.285 5.636 1.00 0.00 C ATOM 283 O GLY A 21 5.816 -7.426 5.329 1.00 0.00 O ATOM 0 H GLY A 21 6.692 -6.480 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.154 -5.907 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.593 -4.908 7.292 1.00 0.00 H new ATOM 287 N ILE A 22 5.288 -5.299 4.771 1.00 0.00 N ATOM 288 CA ILE A 22 5.487 -5.505 3.346 1.00 0.00 C ATOM 289 C ILE A 22 6.979 -5.409 3.025 1.00 0.00 C ATOM 290 O ILE A 22 7.734 -4.764 3.751 1.00 0.00 O ATOM 291 CB ILE A 22 4.620 -4.537 2.538 1.00 0.00 C ATOM 292 CG1 ILE A 22 4.272 -5.125 1.169 1.00 0.00 C ATOM 293 CG2 ILE A 22 5.292 -3.168 2.420 1.00 0.00 C ATOM 294 CD1 ILE A 22 2.898 -5.798 1.195 1.00 0.00 C ATOM 0 H ILE A 22 5.003 -4.354 5.029 1.00 0.00 H new ATOM 0 HA ILE A 22 5.162 -6.504 3.057 1.00 0.00 H new ATOM 0 HB ILE A 22 3.682 -4.390 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.280 -4.336 0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.031 -5.851 0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.655 -2.499 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.446 -2.751 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.254 -3.277 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.675 -6.208 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.901 -6.603 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.138 -5.064 1.463 1.00 0.00 H new ATOM 306 N ARG A 23 7.361 -6.060 1.936 1.00 0.00 N ATOM 307 CA ARG A 23 8.750 -6.056 1.509 1.00 0.00 C ATOM 308 C ARG A 23 8.857 -5.590 0.056 1.00 0.00 C ATOM 309 O ARG A 23 8.823 -6.404 -0.865 1.00 0.00 O ATOM 310 CB ARG A 23 9.370 -7.449 1.638 1.00 0.00 C ATOM 311 CG ARG A 23 9.362 -7.921 3.093 1.00 0.00 C ATOM 312 CD ARG A 23 10.558 -8.831 3.381 1.00 0.00 C ATOM 313 NE ARG A 23 10.119 -10.243 3.429 1.00 0.00 N ATOM 314 CZ ARG A 23 10.799 -11.220 4.045 1.00 0.00 C ATOM 315 NH1 ARG A 23 11.953 -10.944 4.667 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.325 -12.474 4.037 1.00 0.00 N ATOM 0 H ARG A 23 6.732 -6.594 1.336 1.00 0.00 H new ATOM 0 HA ARG A 23 9.294 -5.368 2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.816 -8.156 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.393 -7.431 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.388 -7.058 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.435 -8.456 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.317 -8.703 2.609 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.018 -8.552 4.329 1.00 0.00 H new ATOM 0 HE ARG A 23 9.245 -10.488 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.314 -9.990 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.470 -11.688 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.447 -12.684 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.842 -13.218 4.506 1.00 0.00 H new ATOM 330 N PRO A 24 8.989 -4.246 -0.108 1.00 0.00 N ATOM 331 CA PRO A 24 9.102 -3.661 -1.433 1.00 0.00 C ATOM 332 C PRO A 24 10.492 -3.904 -2.023 1.00 0.00 C ATOM 333 O PRO A 24 11.494 -3.825 -1.313 1.00 0.00 O ATOM 334 CB PRO A 24 8.787 -2.187 -1.241 1.00 0.00 C ATOM 335 CG PRO A 24 8.966 -1.913 0.244 1.00 0.00 C ATOM 336 CD PRO A 24 9.033 -3.251 0.960 1.00 0.00 C ATOM 0 HA PRO A 24 8.416 -4.110 -2.151 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.454 -1.564 -1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.770 -1.960 -1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.877 -1.340 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.136 -1.317 0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.947 -3.341 1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.198 -3.373 1.650 1.00 0.00 H new ATOM 529 N THR A 37 8.274 0.187 -3.266 1.00 0.00 N ATOM 530 CA THR A 37 7.068 -0.208 -3.973 1.00 0.00 C ATOM 531 C THR A 37 6.921 -1.731 -3.970 1.00 0.00 C ATOM 532 O THR A 37 7.913 -2.453 -4.050 1.00 0.00 O ATOM 533 CB THR A 37 7.125 0.394 -5.379 1.00 0.00 C ATOM 534 OG1 THR A 37 8.489 0.248 -5.763 1.00 0.00 O ATOM 535 CG2 THR A 37 6.898 1.907 -5.378 1.00 0.00 C ATOM 0 HA THR A 37 6.176 0.174 -3.476 1.00 0.00 H new ATOM 0 HB THR A 37 6.376 -0.085 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.067 0.427 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.949 2.283 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.916 2.127 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.667 2.390 -4.775 1.00 0.00 H new ATOM 543 N PHE A 38 5.676 -2.173 -3.877 1.00 0.00 N ATOM 544 CA PHE A 38 5.387 -3.597 -3.863 1.00 0.00 C ATOM 545 C PHE A 38 4.280 -3.942 -4.862 1.00 0.00 C ATOM 546 O PHE A 38 3.188 -3.379 -4.803 1.00 0.00 O ATOM 547 CB PHE A 38 4.908 -3.942 -2.451 1.00 0.00 C ATOM 548 CG PHE A 38 3.875 -2.964 -1.888 1.00 0.00 C ATOM 549 CD1 PHE A 38 2.554 -3.137 -2.165 1.00 0.00 C ATOM 550 CD2 PHE A 38 4.276 -1.923 -1.111 1.00 0.00 C ATOM 551 CE1 PHE A 38 1.595 -2.229 -1.642 1.00 0.00 C ATOM 552 CE2 PHE A 38 3.317 -1.016 -0.588 1.00 0.00 C ATOM 553 CZ PHE A 38 1.997 -1.188 -0.865 1.00 0.00 C ATOM 0 H PHE A 38 4.856 -1.570 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 38 6.278 -4.160 -4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.478 -4.944 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.769 -3.970 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.235 -3.964 -2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.325 -1.786 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.546 -2.365 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.636 -0.190 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.268 -0.498 -0.468 1.00 0.00 H new ATOM 563 N LEU A 39 4.601 -4.866 -5.755 1.00 0.00 N ATOM 564 CA LEU A 39 3.648 -5.293 -6.766 1.00 0.00 C ATOM 565 C LEU A 39 2.275 -5.482 -6.118 1.00 0.00 C ATOM 566 O LEU A 39 2.178 -5.689 -4.909 1.00 0.00 O ATOM 567 CB LEU A 39 4.161 -6.537 -7.494 1.00 0.00 C ATOM 568 CG LEU A 39 5.616 -6.488 -7.963 1.00 0.00 C ATOM 569 CD1 LEU A 39 5.962 -7.715 -8.809 1.00 0.00 C ATOM 570 CD2 LEU A 39 5.910 -5.181 -8.703 1.00 0.00 C ATOM 0 H LEU A 39 5.508 -5.331 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 39 3.536 -4.527 -7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.042 -7.395 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.526 -6.713 -8.362 1.00 0.00 H new ATOM 0 HG LEU A 39 6.259 -6.512 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.002 -7.655 -9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.817 -8.618 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.314 -7.748 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.951 -5.172 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.259 -5.102 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.729 -4.337 -8.037 1.00 0.00 H new ATOM 582 N GLY A 40 1.247 -5.403 -6.951 1.00 0.00 N ATOM 583 CA GLY A 40 -0.116 -5.563 -6.474 1.00 0.00 C ATOM 584 C GLY A 40 -0.334 -6.962 -5.895 1.00 0.00 C ATOM 585 O GLY A 40 -1.183 -7.152 -5.025 1.00 0.00 O ATOM 0 H GLY A 40 1.331 -5.230 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.329 -4.813 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.814 -5.392 -7.293 1.00 0.00 H new ATOM 589 N SER A 41 0.447 -7.906 -6.401 1.00 0.00 N ATOM 590 CA SER A 41 0.349 -9.282 -5.945 1.00 0.00 C ATOM 591 C SER A 41 0.971 -9.417 -4.553 1.00 0.00 C ATOM 592 O SER A 41 0.440 -10.124 -3.699 1.00 0.00 O ATOM 593 CB SER A 41 1.032 -10.237 -6.926 1.00 0.00 C ATOM 594 OG SER A 41 0.565 -11.575 -6.781 1.00 0.00 O ATOM 0 H SER A 41 1.150 -7.745 -7.122 1.00 0.00 H new ATOM 0 HA SER A 41 -0.706 -9.551 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.852 -9.899 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.110 -10.210 -6.767 1.00 0.00 H new ATOM 0 HG SER A 41 -0.414 -11.586 -6.825 1.00 0.00 H new ATOM 600 N SER A 42 2.087 -8.728 -4.369 1.00 0.00 N ATOM 601 CA SER A 42 2.786 -8.762 -3.096 1.00 0.00 C ATOM 602 C SER A 42 1.836 -8.360 -1.966 1.00 0.00 C ATOM 603 O SER A 42 1.785 -9.020 -0.929 1.00 0.00 O ATOM 604 CB SER A 42 4.009 -7.842 -3.114 1.00 0.00 C ATOM 605 OG SER A 42 4.106 -7.060 -1.927 1.00 0.00 O ATOM 0 H SER A 42 2.525 -8.143 -5.080 1.00 0.00 H new ATOM 0 HA SER A 42 3.134 -9.781 -2.924 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.912 -8.442 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.953 -7.182 -3.980 1.00 0.00 H new ATOM 0 HG SER A 42 5.038 -6.792 -1.787 1.00 0.00 H new ATOM 611 N LEU A 43 1.107 -7.280 -2.205 1.00 0.00 N ATOM 612 CA LEU A 43 0.162 -6.782 -1.220 1.00 0.00 C ATOM 613 C LEU A 43 -0.910 -7.844 -0.967 1.00 0.00 C ATOM 614 O LEU A 43 -1.082 -8.301 0.162 1.00 0.00 O ATOM 615 CB LEU A 43 -0.404 -5.429 -1.657 1.00 0.00 C ATOM 616 CG LEU A 43 -1.577 -4.895 -0.832 1.00 0.00 C ATOM 617 CD1 LEU A 43 -1.352 -5.137 0.662 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.837 -3.420 -1.141 1.00 0.00 C ATOM 0 H LEU A 43 1.152 -6.736 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 43 0.663 -6.600 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.400 -4.694 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.723 -5.509 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.473 -5.446 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.200 -4.748 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.254 -6.207 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.442 -4.629 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.675 -3.065 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.948 -2.836 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.073 -3.306 -2.199 1.00 0.00 H new ATOM 630 N VAL A 44 -1.604 -8.206 -2.037 1.00 0.00 N ATOM 631 CA VAL A 44 -2.654 -9.206 -1.945 1.00 0.00 C ATOM 632 C VAL A 44 -2.166 -10.375 -1.088 1.00 0.00 C ATOM 633 O VAL A 44 -2.612 -10.547 0.046 1.00 0.00 O ATOM 634 CB VAL A 44 -3.093 -9.634 -3.347 1.00 0.00 C ATOM 635 CG1 VAL A 44 -3.906 -10.929 -3.294 1.00 0.00 C ATOM 636 CG2 VAL A 44 -3.880 -8.520 -4.039 1.00 0.00 C ATOM 0 H VAL A 44 -1.459 -7.824 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.535 -8.791 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.196 -9.825 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.206 -11.212 -4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.298 -11.723 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.794 -10.776 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.180 -8.850 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.768 -8.283 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.254 -7.632 -4.125 1.00 0.00 H new ATOM 646 N ASP A 45 -1.256 -11.149 -1.662 1.00 0.00 N ATOM 647 CA ASP A 45 -0.702 -12.297 -0.964 1.00 0.00 C ATOM 648 C ASP A 45 -0.423 -11.918 0.492 1.00 0.00 C ATOM 649 O ASP A 45 -0.895 -12.584 1.412 1.00 0.00 O ATOM 650 CB ASP A 45 0.617 -12.742 -1.598 1.00 0.00 C ATOM 651 CG ASP A 45 0.932 -14.233 -1.455 1.00 0.00 C ATOM 652 OD1 ASP A 45 0.305 -14.864 -0.577 1.00 0.00 O ATOM 653 OD2 ASP A 45 1.793 -14.707 -2.228 1.00 0.00 O ATOM 0 H ASP A 45 -0.889 -11.004 -2.602 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.425 -13.111 -1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.596 -12.490 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 45 1.429 -12.170 -1.150 1.00 0.00 H new ATOM 658 N TRP A 46 0.343 -10.849 0.655 1.00 0.00 N ATOM 659 CA TRP A 46 0.690 -10.374 1.983 1.00 0.00 C ATOM 660 C TRP A 46 -0.588 -10.343 2.824 1.00 0.00 C ATOM 661 O TRP A 46 -0.742 -11.132 3.755 1.00 0.00 O ATOM 662 CB TRP A 46 1.393 -9.017 1.914 1.00 0.00 C ATOM 663 CG TRP A 46 1.874 -8.494 3.269 1.00 0.00 C ATOM 664 CD1 TRP A 46 3.000 -8.811 3.923 1.00 0.00 C ATOM 665 CD2 TRP A 46 1.192 -7.544 4.115 1.00 0.00 C ATOM 666 NE1 TRP A 46 3.094 -8.137 5.124 1.00 0.00 N ATOM 667 CE2 TRP A 46 1.960 -7.342 5.244 1.00 0.00 C ATOM 668 CE3 TRP A 46 -0.032 -6.877 3.932 1.00 0.00 C ATOM 669 CZ2 TRP A 46 1.588 -6.474 6.278 1.00 0.00 C ATOM 670 CZ3 TRP A 46 -0.388 -6.013 4.974 1.00 0.00 C ATOM 671 CH2 TRP A 46 0.373 -5.799 6.117 1.00 0.00 C ATOM 0 H TRP A 46 0.733 -10.299 -0.110 1.00 0.00 H new ATOM 0 HA TRP A 46 1.403 -11.047 2.459 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.248 -9.096 1.243 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.711 -8.288 1.476 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.741 -9.506 3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 46 3.855 -8.209 5.799 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.649 -7.020 3.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 2.206 -6.333 7.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.320 -5.475 4.883 1.00 0.00 H new ATOM 0 HH2 TRP A 46 0.028 -5.115 6.878 1.00 0.00 H new ATOM 682 N LEU A 47 -1.472 -9.423 2.465 1.00 0.00 N ATOM 683 CA LEU A 47 -2.731 -9.279 3.174 1.00 0.00 C ATOM 684 C LEU A 47 -3.227 -10.659 3.611 1.00 0.00 C ATOM 685 O LEU A 47 -3.457 -10.895 4.796 1.00 0.00 O ATOM 686 CB LEU A 47 -3.740 -8.504 2.324 1.00 0.00 C ATOM 687 CG LEU A 47 -3.535 -6.990 2.255 1.00 0.00 C ATOM 688 CD1 LEU A 47 -4.238 -6.397 1.032 1.00 0.00 C ATOM 689 CD2 LEU A 47 -3.980 -6.316 3.554 1.00 0.00 C ATOM 0 H LEU A 47 -1.340 -8.770 1.692 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.592 -8.688 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.711 -8.901 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.739 -8.698 2.714 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.469 -6.795 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.077 -5.319 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.832 -6.846 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.307 -6.602 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.823 -5.240 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.038 -6.518 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.397 -6.710 4.386 1.00 0.00 H new ATOM 701 N ILE A 48 -3.378 -11.536 2.629 1.00 0.00 N ATOM 702 CA ILE A 48 -3.842 -12.887 2.896 1.00 0.00 C ATOM 703 C ILE A 48 -2.931 -13.538 3.939 1.00 0.00 C ATOM 704 O ILE A 48 -3.405 -14.030 4.962 1.00 0.00 O ATOM 705 CB ILE A 48 -3.953 -13.683 1.594 1.00 0.00 C ATOM 706 CG1 ILE A 48 -4.888 -12.986 0.604 1.00 0.00 C ATOM 707 CG2 ILE A 48 -4.381 -15.126 1.869 1.00 0.00 C ATOM 708 CD1 ILE A 48 -4.630 -13.468 -0.825 1.00 0.00 C ATOM 0 H ILE A 48 -3.187 -11.337 1.647 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.847 -12.868 3.317 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.967 -13.722 1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.925 -13.183 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.744 -11.907 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.452 -15.670 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.644 -15.608 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.352 -15.129 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.308 -12.957 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.599 -13.247 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.799 -14.543 -0.882 1.00 0.00 H new ATOM 720 N SER A 49 -1.639 -13.519 3.644 1.00 0.00 N ATOM 721 CA SER A 49 -0.658 -14.100 4.544 1.00 0.00 C ATOM 722 C SER A 49 -0.781 -13.469 5.932 1.00 0.00 C ATOM 723 O SER A 49 -0.563 -14.136 6.942 1.00 0.00 O ATOM 724 CB SER A 49 0.762 -13.919 4.002 1.00 0.00 C ATOM 725 OG SER A 49 1.750 -14.207 4.987 1.00 0.00 O ATOM 0 H SER A 49 -1.249 -13.110 2.794 1.00 0.00 H new ATOM 0 HA SER A 49 -0.856 -15.169 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.907 -14.572 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.888 -12.895 3.651 1.00 0.00 H new ATOM 0 HG SER A 49 2.642 -14.081 4.602 1.00 0.00 H new ATOM 731 N SER A 50 -1.129 -12.191 5.937 1.00 0.00 N ATOM 732 CA SER A 50 -1.283 -11.462 7.184 1.00 0.00 C ATOM 733 C SER A 50 -2.625 -11.810 7.831 1.00 0.00 C ATOM 734 O SER A 50 -2.898 -11.406 8.960 1.00 0.00 O ATOM 735 CB SER A 50 -1.179 -9.953 6.957 1.00 0.00 C ATOM 736 OG SER A 50 0.168 -9.493 7.030 1.00 0.00 O ATOM 0 H SER A 50 -1.309 -11.641 5.097 1.00 0.00 H new ATOM 0 HA SER A 50 -0.476 -11.757 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.595 -9.704 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.781 -9.432 7.702 1.00 0.00 H new ATOM 0 HG SER A 50 0.301 -8.766 6.386 1.00 0.00 H new ATOM 742 N ASN A 51 -3.429 -12.557 7.087 1.00 0.00 N ATOM 743 CA ASN A 51 -4.736 -12.964 7.574 1.00 0.00 C ATOM 744 C ASN A 51 -5.705 -11.785 7.466 1.00 0.00 C ATOM 745 O ASN A 51 -6.732 -11.758 8.141 1.00 0.00 O ATOM 746 CB ASN A 51 -4.669 -13.388 9.042 1.00 0.00 C ATOM 747 CG ASN A 51 -5.857 -14.280 9.410 1.00 0.00 C ATOM 748 OD1 ASN A 51 -6.540 -14.829 8.561 1.00 0.00 O ATOM 749 ND2 ASN A 51 -6.064 -14.393 10.719 1.00 0.00 N ATOM 0 H ASN A 51 -3.200 -12.891 6.151 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.074 -13.807 6.971 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.737 -13.922 9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.662 -12.504 9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.833 -14.967 11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.454 -13.906 11.376 1.00 0.00 H new ATOM 756 N PHE A 52 -5.344 -10.840 6.610 1.00 0.00 N ATOM 757 CA PHE A 52 -6.169 -9.661 6.405 1.00 0.00 C ATOM 758 C PHE A 52 -7.205 -9.902 5.305 1.00 0.00 C ATOM 759 O PHE A 52 -8.203 -9.188 5.220 1.00 0.00 O ATOM 760 CB PHE A 52 -5.234 -8.531 5.970 1.00 0.00 C ATOM 761 CG PHE A 52 -4.352 -7.985 7.095 1.00 0.00 C ATOM 762 CD1 PHE A 52 -4.865 -7.828 8.345 1.00 0.00 C ATOM 763 CD2 PHE A 52 -3.057 -7.657 6.845 1.00 0.00 C ATOM 764 CE1 PHE A 52 -4.046 -7.321 9.389 1.00 0.00 C ATOM 765 CE2 PHE A 52 -2.238 -7.150 7.889 1.00 0.00 C ATOM 766 CZ PHE A 52 -2.750 -6.993 9.139 1.00 0.00 C ATOM 0 H PHE A 52 -4.492 -10.867 6.051 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.703 -9.416 7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.595 -8.892 5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.831 -7.716 5.562 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.894 -8.089 8.544 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.650 -7.782 5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.453 -7.196 10.382 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.209 -6.889 7.690 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.128 -6.608 9.933 1.00 0.00 H new ATOM 776 N ALA A 53 -6.932 -10.911 4.490 1.00 0.00 N ATOM 777 CA ALA A 53 -7.828 -11.255 3.399 1.00 0.00 C ATOM 778 C ALA A 53 -8.006 -12.774 3.350 1.00 0.00 C ATOM 779 O ALA A 53 -7.121 -13.519 3.768 1.00 0.00 O ATOM 780 CB ALA A 53 -7.278 -10.689 2.089 1.00 0.00 C ATOM 0 H ALA A 53 -6.103 -11.501 4.564 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.812 -10.813 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.950 -10.947 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.199 -9.605 2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.292 -11.111 1.896 1.00 0.00 H new ATOM 786 N ALA A 54 -9.155 -13.187 2.836 1.00 0.00 N ATOM 787 CA ALA A 54 -9.459 -14.604 2.727 1.00 0.00 C ATOM 788 C ALA A 54 -8.943 -15.130 1.386 1.00 0.00 C ATOM 789 O ALA A 54 -8.377 -16.220 1.319 1.00 0.00 O ATOM 790 CB ALA A 54 -10.964 -14.817 2.897 1.00 0.00 C ATOM 0 H ALA A 54 -9.886 -12.566 2.491 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.959 -15.166 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.193 -15.880 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.275 -14.453 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.499 -14.270 2.121 1.00 0.00 H new ATOM 796 N SER A 55 -9.158 -14.331 0.351 1.00 0.00 N ATOM 797 CA SER A 55 -8.722 -14.702 -0.984 1.00 0.00 C ATOM 798 C SER A 55 -8.125 -13.487 -1.697 1.00 0.00 C ATOM 799 O SER A 55 -8.301 -12.354 -1.252 1.00 0.00 O ATOM 800 CB SER A 55 -9.879 -15.281 -1.801 1.00 0.00 C ATOM 801 OG SER A 55 -10.697 -16.152 -1.024 1.00 0.00 O ATOM 0 H SER A 55 -9.629 -13.428 0.410 1.00 0.00 H new ATOM 0 HA SER A 55 -7.957 -15.473 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.488 -14.467 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.481 -15.825 -2.658 1.00 0.00 H new ATOM 0 HG SER A 55 -11.425 -16.500 -1.580 1.00 0.00 H new ATOM 807 N ARG A 56 -7.431 -13.765 -2.791 1.00 0.00 N ATOM 808 CA ARG A 56 -6.807 -12.708 -3.570 1.00 0.00 C ATOM 809 C ARG A 56 -7.772 -11.533 -3.738 1.00 0.00 C ATOM 810 O ARG A 56 -7.351 -10.377 -3.758 1.00 0.00 O ATOM 811 CB ARG A 56 -6.387 -13.216 -4.950 1.00 0.00 C ATOM 812 CG ARG A 56 -4.965 -13.779 -4.918 1.00 0.00 C ATOM 813 CD ARG A 56 -4.979 -15.293 -4.697 1.00 0.00 C ATOM 814 NE ARG A 56 -3.718 -15.722 -4.052 1.00 0.00 N ATOM 815 CZ ARG A 56 -3.262 -16.982 -4.057 1.00 0.00 C ATOM 816 NH1 ARG A 56 -3.961 -17.944 -4.674 1.00 0.00 N ATOM 817 NH2 ARG A 56 -2.107 -17.279 -3.446 1.00 0.00 N ATOM 0 H ARG A 56 -7.287 -14.706 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.919 -12.379 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.080 -13.988 -5.284 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.444 -12.403 -5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.458 -13.549 -5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.397 -13.297 -4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.829 -15.570 -4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.103 -15.807 -5.650 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.161 -15.014 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.840 -17.717 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.614 -18.903 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.575 -16.546 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.760 -18.238 -3.450 1.00 0.00 H new ATOM 831 N LEU A 57 -9.048 -11.868 -3.855 1.00 0.00 N ATOM 832 CA LEU A 57 -10.076 -10.855 -4.022 1.00 0.00 C ATOM 833 C LEU A 57 -10.083 -9.936 -2.798 1.00 0.00 C ATOM 834 O LEU A 57 -9.783 -8.748 -2.908 1.00 0.00 O ATOM 835 CB LEU A 57 -11.430 -11.507 -4.308 1.00 0.00 C ATOM 836 CG LEU A 57 -12.337 -10.765 -5.293 1.00 0.00 C ATOM 837 CD1 LEU A 57 -13.068 -9.612 -4.603 1.00 0.00 C ATOM 838 CD2 LEU A 57 -11.548 -10.294 -6.516 1.00 0.00 C ATOM 0 H LEU A 57 -9.394 -12.827 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.859 -10.232 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.253 -12.511 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.965 -11.617 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.097 -11.461 -5.649 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.705 -9.101 -5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.681 -10.004 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.339 -8.908 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.216 -9.770 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.752 -9.620 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.113 -11.156 -7.022 1.00 0.00 H new ATOM 850 N GLU A 58 -10.428 -10.521 -1.661 1.00 0.00 N ATOM 851 CA GLU A 58 -10.478 -9.769 -0.418 1.00 0.00 C ATOM 852 C GLU A 58 -9.256 -8.857 -0.300 1.00 0.00 C ATOM 853 O GLU A 58 -9.375 -7.703 0.108 1.00 0.00 O ATOM 854 CB GLU A 58 -10.581 -10.708 0.786 1.00 0.00 C ATOM 855 CG GLU A 58 -11.960 -11.367 0.852 1.00 0.00 C ATOM 856 CD GLU A 58 -13.059 -10.380 0.455 1.00 0.00 C ATOM 857 OE1 GLU A 58 -13.182 -9.354 1.159 1.00 0.00 O ATOM 858 OE2 GLU A 58 -13.752 -10.673 -0.543 1.00 0.00 O ATOM 0 H GLU A 58 -10.676 -11.507 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.372 -9.145 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.810 -11.476 0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.397 -10.150 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.986 -12.232 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.144 -11.734 1.862 1.00 0.00 H new ATOM 865 N ALA A 59 -8.108 -9.410 -0.664 1.00 0.00 N ATOM 866 CA ALA A 59 -6.864 -8.660 -0.604 1.00 0.00 C ATOM 867 C ALA A 59 -6.937 -7.481 -1.575 1.00 0.00 C ATOM 868 O ALA A 59 -6.524 -6.371 -1.243 1.00 0.00 O ATOM 869 CB ALA A 59 -5.690 -9.593 -0.907 1.00 0.00 C ATOM 0 H ALA A 59 -8.013 -10.368 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.708 -8.254 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.757 -9.031 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.665 -10.397 -0.171 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.810 -10.017 -1.904 1.00 0.00 H new ATOM 875 N VAL A 60 -7.466 -7.761 -2.757 1.00 0.00 N ATOM 876 CA VAL A 60 -7.599 -6.737 -3.780 1.00 0.00 C ATOM 877 C VAL A 60 -8.467 -5.596 -3.243 1.00 0.00 C ATOM 878 O VAL A 60 -8.197 -4.427 -3.513 1.00 0.00 O ATOM 879 CB VAL A 60 -8.149 -7.351 -5.068 1.00 0.00 C ATOM 880 CG1 VAL A 60 -8.643 -6.266 -6.026 1.00 0.00 C ATOM 881 CG2 VAL A 60 -7.103 -8.242 -5.741 1.00 0.00 C ATOM 0 H VAL A 60 -7.808 -8.683 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.625 -6.316 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.001 -7.977 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.029 -6.730 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.436 -5.691 -5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.817 -5.602 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.520 -8.666 -6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.222 -7.648 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.821 -9.047 -5.063 1.00 0.00 H new ATOM 891 N THR A 61 -9.491 -5.976 -2.494 1.00 0.00 N ATOM 892 CA THR A 61 -10.400 -5.000 -1.917 1.00 0.00 C ATOM 893 C THR A 61 -9.730 -4.272 -0.750 1.00 0.00 C ATOM 894 O THR A 61 -9.881 -3.061 -0.601 1.00 0.00 O ATOM 895 CB THR A 61 -11.686 -5.728 -1.522 1.00 0.00 C ATOM 896 OG1 THR A 61 -12.726 -4.889 -2.018 1.00 0.00 O ATOM 897 CG2 THR A 61 -11.909 -5.742 -0.008 1.00 0.00 C ATOM 0 H THR A 61 -9.712 -6.947 -2.273 1.00 0.00 H new ATOM 0 HA THR A 61 -10.657 -4.224 -2.638 1.00 0.00 H new ATOM 0 HB THR A 61 -11.652 -6.752 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.596 -5.287 -1.807 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.835 -6.271 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.074 -6.247 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.977 -4.718 0.359 1.00 0.00 H new ATOM 905 N LEU A 62 -9.004 -5.042 0.048 1.00 0.00 N ATOM 906 CA LEU A 62 -8.311 -4.485 1.197 1.00 0.00 C ATOM 907 C LEU A 62 -7.271 -3.471 0.717 1.00 0.00 C ATOM 908 O LEU A 62 -6.951 -2.521 1.430 1.00 0.00 O ATOM 909 CB LEU A 62 -7.726 -5.603 2.063 1.00 0.00 C ATOM 910 CG LEU A 62 -8.521 -5.965 3.318 1.00 0.00 C ATOM 911 CD1 LEU A 62 -9.034 -7.405 3.247 1.00 0.00 C ATOM 912 CD2 LEU A 62 -7.696 -5.713 4.582 1.00 0.00 C ATOM 0 H LEU A 62 -8.881 -6.047 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.008 -3.947 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.628 -6.498 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.720 -5.312 2.366 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.394 -5.314 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.596 -7.636 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.683 -7.518 2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.189 -8.088 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.285 -5.979 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.792 -6.321 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.423 -4.659 4.634 1.00 0.00 H new ATOM 924 N ALA A 63 -6.773 -3.706 -0.487 1.00 0.00 N ATOM 925 CA ALA A 63 -5.776 -2.825 -1.070 1.00 0.00 C ATOM 926 C ALA A 63 -6.434 -1.496 -1.447 1.00 0.00 C ATOM 927 O ALA A 63 -6.030 -0.440 -0.963 1.00 0.00 O ATOM 928 CB ALA A 63 -5.124 -3.514 -2.271 1.00 0.00 C ATOM 0 H ALA A 63 -7.041 -4.495 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.987 -2.610 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.376 -2.852 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.646 -4.438 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.885 -3.743 -3.016 1.00 0.00 H new ATOM 934 N SER A 64 -7.436 -1.592 -2.308 1.00 0.00 N ATOM 935 CA SER A 64 -8.154 -0.411 -2.756 1.00 0.00 C ATOM 936 C SER A 64 -8.613 0.411 -1.550 1.00 0.00 C ATOM 937 O SER A 64 -8.708 1.635 -1.628 1.00 0.00 O ATOM 938 CB SER A 64 -9.354 -0.792 -3.625 1.00 0.00 C ATOM 939 OG SER A 64 -10.532 -0.996 -2.850 1.00 0.00 O ATOM 0 H SER A 64 -7.768 -2.470 -2.708 1.00 0.00 H new ATOM 0 HA SER A 64 -7.477 0.191 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.534 -0.006 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.124 -1.701 -4.181 1.00 0.00 H new ATOM 0 HG SER A 64 -10.347 -1.644 -2.138 1.00 0.00 H new ATOM 945 N MET A 65 -8.885 -0.295 -0.462 1.00 0.00 N ATOM 946 CA MET A 65 -9.331 0.354 0.759 1.00 0.00 C ATOM 947 C MET A 65 -8.224 1.230 1.350 1.00 0.00 C ATOM 948 O MET A 65 -8.483 2.347 1.797 1.00 0.00 O ATOM 949 CB MET A 65 -9.742 -0.707 1.781 1.00 0.00 C ATOM 950 CG MET A 65 -11.117 -1.288 1.445 1.00 0.00 C ATOM 951 SD MET A 65 -12.201 -1.148 2.857 1.00 0.00 S ATOM 952 CE MET A 65 -11.590 -2.499 3.851 1.00 0.00 C ATOM 0 H MET A 65 -8.805 -1.310 -0.401 1.00 0.00 H new ATOM 0 HA MET A 65 -10.183 0.990 0.519 1.00 0.00 H new ATOM 0 HB2 MET A 65 -9.000 -1.506 1.800 1.00 0.00 H new ATOM 0 HB3 MET A 65 -9.763 -0.268 2.778 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.546 -0.760 0.593 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.018 -2.334 1.155 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.410 -3.179 4.084 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.819 -3.037 3.300 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.168 -2.108 4.777 1.00 0.00 H new ATOM 962 N LEU A 66 -7.014 0.691 1.333 1.00 0.00 N ATOM 963 CA LEU A 66 -5.867 1.409 1.862 1.00 0.00 C ATOM 964 C LEU A 66 -5.587 2.631 0.985 1.00 0.00 C ATOM 965 O LEU A 66 -5.401 3.736 1.493 1.00 0.00 O ATOM 966 CB LEU A 66 -4.668 0.470 2.010 1.00 0.00 C ATOM 967 CG LEU A 66 -4.902 -0.790 2.845 1.00 0.00 C ATOM 968 CD1 LEU A 66 -4.064 -1.958 2.322 1.00 0.00 C ATOM 969 CD2 LEU A 66 -4.644 -0.519 4.329 1.00 0.00 C ATOM 0 H LEU A 66 -6.803 -0.235 0.961 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.079 1.778 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.344 0.167 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.846 1.030 2.456 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.949 -1.076 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.249 -2.841 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.338 -2.168 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.007 -1.698 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.817 -1.431 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.612 -0.196 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.319 0.262 4.679 1.00 0.00 H new ATOM 981 N MET A 67 -5.566 2.392 -0.318 1.00 0.00 N ATOM 982 CA MET A 67 -5.312 3.459 -1.271 1.00 0.00 C ATOM 983 C MET A 67 -6.289 4.618 -1.070 1.00 0.00 C ATOM 984 O MET A 67 -5.903 5.783 -1.155 1.00 0.00 O ATOM 985 CB MET A 67 -5.450 2.915 -2.695 1.00 0.00 C ATOM 986 CG MET A 67 -4.207 2.122 -3.102 1.00 0.00 C ATOM 987 SD MET A 67 -3.954 2.245 -4.865 1.00 0.00 S ATOM 988 CE MET A 67 -5.527 1.633 -5.447 1.00 0.00 C ATOM 0 H MET A 67 -5.721 1.475 -0.736 1.00 0.00 H new ATOM 0 HA MET A 67 -4.300 3.831 -1.111 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.331 2.276 -2.760 1.00 0.00 H new ATOM 0 HB3 MET A 67 -5.603 3.740 -3.390 1.00 0.00 H new ATOM 0 HG2 MET A 67 -3.333 2.503 -2.574 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.322 1.077 -2.815 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.439 1.340 -6.493 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.824 0.769 -4.852 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.280 2.415 -5.351 1.00 0.00 H new ATOM 998 N GLU A 68 -7.537 4.259 -0.806 1.00 0.00 N ATOM 999 CA GLU A 68 -8.573 5.255 -0.592 1.00 0.00 C ATOM 1000 C GLU A 68 -8.269 6.075 0.663 1.00 0.00 C ATOM 1001 O GLU A 68 -8.355 7.302 0.643 1.00 0.00 O ATOM 1002 CB GLU A 68 -9.953 4.600 -0.497 1.00 0.00 C ATOM 1003 CG GLU A 68 -10.707 4.716 -1.823 1.00 0.00 C ATOM 1004 CD GLU A 68 -11.917 5.642 -1.687 1.00 0.00 C ATOM 1005 OE1 GLU A 68 -12.504 5.649 -0.583 1.00 0.00 O ATOM 1006 OE2 GLU A 68 -12.228 6.321 -2.689 1.00 0.00 O ATOM 0 H GLU A 68 -7.854 3.292 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.585 5.928 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.843 3.550 -0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.531 5.074 0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.037 5.098 -2.594 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.035 3.728 -2.146 1.00 0.00 H new ATOM 1013 N GLU A 69 -7.920 5.365 1.726 1.00 0.00 N ATOM 1014 CA GLU A 69 -7.603 6.012 2.988 1.00 0.00 C ATOM 1015 C GLU A 69 -6.381 6.919 2.826 1.00 0.00 C ATOM 1016 O GLU A 69 -6.064 7.704 3.719 1.00 0.00 O ATOM 1017 CB GLU A 69 -7.376 4.979 4.092 1.00 0.00 C ATOM 1018 CG GLU A 69 -8.704 4.542 4.715 1.00 0.00 C ATOM 1019 CD GLU A 69 -8.829 5.050 6.153 1.00 0.00 C ATOM 1020 OE1 GLU A 69 -8.301 4.356 7.048 1.00 0.00 O ATOM 1021 OE2 GLU A 69 -9.449 6.121 6.324 1.00 0.00 O ATOM 0 H GLU A 69 -7.850 4.348 1.739 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.453 6.628 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.859 4.111 3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.730 5.400 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.533 4.923 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.775 3.454 4.702 1.00 0.00 H new ATOM 1028 N ASN A 70 -5.729 6.782 1.681 1.00 0.00 N ATOM 1029 CA ASN A 70 -4.549 7.579 1.392 1.00 0.00 C ATOM 1030 C ASN A 70 -3.323 6.915 2.021 1.00 0.00 C ATOM 1031 O ASN A 70 -2.424 7.599 2.509 1.00 0.00 O ATOM 1032 CB ASN A 70 -4.678 8.987 1.978 1.00 0.00 C ATOM 1033 CG ASN A 70 -4.087 10.032 1.030 1.00 0.00 C ATOM 1034 OD1 ASN A 70 -2.968 9.916 0.556 1.00 0.00 O ATOM 1035 ND2 ASN A 70 -4.898 11.056 0.780 1.00 0.00 N ATOM 0 H ASN A 70 -5.995 6.131 0.942 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.446 7.647 0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.728 9.212 2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.167 9.033 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.596 11.806 0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.822 11.091 1.210 1.00 0.00 H new ATOM 1042 N PHE A 71 -3.326 5.591 1.991 1.00 0.00 N ATOM 1043 CA PHE A 71 -2.225 4.827 2.552 1.00 0.00 C ATOM 1044 C PHE A 71 -1.317 4.280 1.448 1.00 0.00 C ATOM 1045 O PHE A 71 -0.147 3.988 1.690 1.00 0.00 O ATOM 1046 CB PHE A 71 -2.840 3.653 3.318 1.00 0.00 C ATOM 1047 CG PHE A 71 -3.549 4.058 4.612 1.00 0.00 C ATOM 1048 CD1 PHE A 71 -2.959 4.939 5.464 1.00 0.00 C ATOM 1049 CD2 PHE A 71 -4.769 3.537 4.910 1.00 0.00 C ATOM 1050 CE1 PHE A 71 -3.618 5.314 6.665 1.00 0.00 C ATOM 1051 CE2 PHE A 71 -5.428 3.913 6.111 1.00 0.00 C ATOM 1052 CZ PHE A 71 -4.838 4.793 6.963 1.00 0.00 C ATOM 0 H PHE A 71 -4.074 5.027 1.587 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.622 5.464 3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.552 3.143 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.054 2.936 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.990 5.353 5.227 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.237 2.837 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -3.150 6.013 7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.398 3.500 6.347 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.338 5.078 7.877 1.00 0.00 H new ATOM 1062 N LEU A 72 -1.891 4.159 0.260 1.00 0.00 N ATOM 1063 CA LEU A 72 -1.149 3.653 -0.881 1.00 0.00 C ATOM 1064 C LEU A 72 -1.731 4.246 -2.166 1.00 0.00 C ATOM 1065 O LEU A 72 -2.753 4.929 -2.131 1.00 0.00 O ATOM 1066 CB LEU A 72 -1.121 2.123 -0.867 1.00 0.00 C ATOM 1067 CG LEU A 72 -2.228 1.440 -0.062 1.00 0.00 C ATOM 1068 CD1 LEU A 72 -2.895 0.331 -0.878 1.00 0.00 C ATOM 1069 CD2 LEU A 72 -1.695 0.926 1.276 1.00 0.00 C ATOM 0 H LEU A 72 -2.862 4.403 0.063 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.107 3.968 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.176 1.769 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.158 1.800 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.995 2.181 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.678 -0.138 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.332 0.757 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.151 -0.417 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.502 0.445 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.897 0.205 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.305 1.761 1.857 1.00 0.00 H new ATOM 1081 N ARG A 73 -1.054 3.964 -3.270 1.00 0.00 N ATOM 1082 CA ARG A 73 -1.491 4.461 -4.563 1.00 0.00 C ATOM 1083 C ARG A 73 -1.058 3.501 -5.674 1.00 0.00 C ATOM 1084 O ARG A 73 -0.096 2.752 -5.512 1.00 0.00 O ATOM 1085 CB ARG A 73 -0.913 5.849 -4.844 1.00 0.00 C ATOM 1086 CG ARG A 73 0.587 5.889 -4.547 1.00 0.00 C ATOM 1087 CD ARG A 73 0.854 6.429 -3.141 1.00 0.00 C ATOM 1088 NE ARG A 73 2.106 7.220 -3.132 1.00 0.00 N ATOM 1089 CZ ARG A 73 2.237 8.426 -3.700 1.00 0.00 C ATOM 1090 NH1 ARG A 73 1.194 8.988 -4.327 1.00 0.00 N ATOM 1091 NH2 ARG A 73 3.410 9.070 -3.642 1.00 0.00 N ATOM 0 H ARG A 73 -0.206 3.398 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.579 4.531 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.088 6.115 -5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.428 6.591 -4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.007 4.887 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.090 6.516 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.019 7.050 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.931 5.603 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 73 2.920 6.821 -2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.301 8.497 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.293 9.906 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.204 8.642 -3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.510 9.988 -4.075 1.00 0.00 H new ATOM 1105 N PRO A 74 -1.809 3.557 -6.807 1.00 0.00 N ATOM 1106 CA PRO A 74 -1.513 2.702 -7.944 1.00 0.00 C ATOM 1107 C PRO A 74 -0.278 3.201 -8.697 1.00 0.00 C ATOM 1108 O PRO A 74 -0.091 4.405 -8.862 1.00 0.00 O ATOM 1109 CB PRO A 74 -2.775 2.724 -8.791 1.00 0.00 C ATOM 1110 CG PRO A 74 -3.557 3.949 -8.344 1.00 0.00 C ATOM 1111 CD PRO A 74 -2.956 4.432 -7.033 1.00 0.00 C ATOM 0 HA PRO A 74 -1.264 1.682 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.532 2.782 -9.852 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.358 1.814 -8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.504 4.733 -9.100 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.611 3.703 -8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.651 5.476 -7.098 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.675 4.361 -6.217 1.00 0.00 H new ATOM 1361 N PHE A 92 -8.102 -2.145 -8.335 1.00 0.00 N ATOM 1362 CA PHE A 92 -6.837 -2.762 -7.973 1.00 0.00 C ATOM 1363 C PHE A 92 -6.707 -4.152 -8.598 1.00 0.00 C ATOM 1364 O PHE A 92 -7.614 -4.975 -8.485 1.00 0.00 O ATOM 1365 CB PHE A 92 -6.826 -2.898 -6.449 1.00 0.00 C ATOM 1366 CG PHE A 92 -5.464 -3.284 -5.869 1.00 0.00 C ATOM 1367 CD1 PHE A 92 -5.058 -4.582 -5.892 1.00 0.00 C ATOM 1368 CD2 PHE A 92 -4.659 -2.329 -5.331 1.00 0.00 C ATOM 1369 CE1 PHE A 92 -3.794 -4.940 -5.353 1.00 0.00 C ATOM 1370 CE2 PHE A 92 -3.394 -2.687 -4.792 1.00 0.00 C ATOM 1371 CZ PHE A 92 -2.989 -3.985 -4.815 1.00 0.00 C ATOM 0 HA PHE A 92 -6.009 -2.152 -8.333 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.143 -1.953 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.560 -3.649 -6.156 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.697 -5.340 -6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.981 -1.298 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.472 -5.971 -5.370 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.755 -1.929 -4.364 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.027 -4.258 -4.406 1.00 0.00 H new ATOM 1381 N LEU A 93 -5.571 -4.372 -9.244 1.00 0.00 N ATOM 1382 CA LEU A 93 -5.310 -5.648 -9.887 1.00 0.00 C ATOM 1383 C LEU A 93 -4.342 -6.460 -9.025 1.00 0.00 C ATOM 1384 O LEU A 93 -3.625 -5.902 -8.196 1.00 0.00 O ATOM 1385 CB LEU A 93 -4.825 -5.436 -11.323 1.00 0.00 C ATOM 1386 CG LEU A 93 -5.872 -4.925 -12.316 1.00 0.00 C ATOM 1387 CD1 LEU A 93 -6.833 -3.943 -11.643 1.00 0.00 C ATOM 1388 CD2 LEU A 93 -5.205 -4.319 -13.552 1.00 0.00 C ATOM 0 H LEU A 93 -4.821 -3.687 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.229 -6.228 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.995 -4.729 -11.305 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.431 -6.381 -11.696 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.465 -5.774 -12.654 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.566 -3.595 -12.371 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.346 -4.442 -10.821 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.272 -3.091 -11.258 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.971 -3.964 -14.241 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.572 -3.484 -13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.596 -5.077 -14.045 1.00 0.00 H new ATOM 1400 N ASP A 94 -4.352 -7.766 -9.250 1.00 0.00 N ATOM 1401 CA ASP A 94 -3.483 -8.661 -8.504 1.00 0.00 C ATOM 1402 C ASP A 94 -2.505 -9.335 -9.467 1.00 0.00 C ATOM 1403 O ASP A 94 -2.666 -10.508 -9.802 1.00 0.00 O ATOM 1404 CB ASP A 94 -4.291 -9.757 -7.806 1.00 0.00 C ATOM 1405 CG ASP A 94 -3.482 -10.984 -7.381 1.00 0.00 C ATOM 1406 OD1 ASP A 94 -2.321 -10.782 -6.965 1.00 0.00 O ATOM 1407 OD2 ASP A 94 -4.043 -12.096 -7.481 1.00 0.00 O ATOM 0 H ASP A 94 -4.948 -8.226 -9.938 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.953 -8.071 -7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.767 -9.330 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.090 -10.080 -8.474 1.00 0.00 H new ATOM 1412 N ASP A 95 -1.511 -8.565 -9.886 1.00 0.00 N ATOM 1413 CA ASP A 95 -0.506 -9.073 -10.804 1.00 0.00 C ATOM 1414 C ASP A 95 0.857 -8.480 -10.442 1.00 0.00 C ATOM 1415 O ASP A 95 0.959 -7.664 -9.527 1.00 0.00 O ATOM 1416 CB ASP A 95 -0.826 -8.675 -12.246 1.00 0.00 C ATOM 1417 CG ASP A 95 -1.172 -9.839 -13.177 1.00 0.00 C ATOM 1418 OD1 ASP A 95 -0.684 -10.955 -12.896 1.00 0.00 O ATOM 1419 OD2 ASP A 95 -1.917 -9.587 -14.148 1.00 0.00 O ATOM 0 H ASP A 95 -1.380 -7.593 -9.606 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.495 -10.160 -10.723 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.662 -7.976 -12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.031 -8.142 -12.658 1.00 0.00 H new ATOM 1424 N SER A 96 1.870 -8.913 -11.178 1.00 0.00 N ATOM 1425 CA SER A 96 3.222 -8.434 -10.945 1.00 0.00 C ATOM 1426 C SER A 96 3.373 -7.010 -11.484 1.00 0.00 C ATOM 1427 O SER A 96 3.833 -6.119 -10.772 1.00 0.00 O ATOM 1428 CB SER A 96 4.253 -9.360 -11.594 1.00 0.00 C ATOM 1429 OG SER A 96 3.874 -9.739 -12.914 1.00 0.00 O ATOM 0 H SER A 96 1.782 -9.590 -11.936 1.00 0.00 H new ATOM 0 HA SER A 96 3.403 -8.429 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.221 -8.860 -11.624 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.375 -10.253 -10.981 1.00 0.00 H new ATOM 0 HG SER A 96 4.558 -10.328 -13.294 1.00 0.00 H new ATOM 1435 N THR A 97 2.978 -6.841 -12.737 1.00 0.00 N ATOM 1436 CA THR A 97 3.064 -5.541 -13.380 1.00 0.00 C ATOM 1437 C THR A 97 2.469 -4.459 -12.476 1.00 0.00 C ATOM 1438 O THR A 97 3.159 -3.514 -12.097 1.00 0.00 O ATOM 1439 CB THR A 97 2.375 -5.640 -14.743 1.00 0.00 C ATOM 1440 OG1 THR A 97 1.027 -5.975 -14.426 1.00 0.00 O ATOM 1441 CG2 THR A 97 2.872 -6.831 -15.564 1.00 0.00 C ATOM 0 H THR A 97 2.597 -7.583 -13.324 1.00 0.00 H new ATOM 0 HA THR A 97 4.101 -5.249 -13.545 1.00 0.00 H new ATOM 0 HB THR A 97 2.541 -4.719 -15.302 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.507 -6.057 -15.253 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.352 -6.855 -16.521 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.944 -6.732 -15.736 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.675 -7.755 -15.020 1.00 0.00 H new ATOM 1449 N ALA A 98 1.195 -4.634 -12.157 1.00 0.00 N ATOM 1450 CA ALA A 98 0.500 -3.684 -11.305 1.00 0.00 C ATOM 1451 C ALA A 98 1.305 -3.473 -10.021 1.00 0.00 C ATOM 1452 O ALA A 98 1.450 -4.393 -9.217 1.00 0.00 O ATOM 1453 CB ALA A 98 -0.917 -4.188 -11.028 1.00 0.00 C ATOM 0 H ALA A 98 0.626 -5.419 -12.473 1.00 0.00 H new ATOM 0 HA ALA A 98 0.411 -2.718 -11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.438 -3.475 -10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.456 -4.293 -11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.868 -5.155 -10.528 1.00 0.00 H new ATOM 1459 N LEU A 99 1.808 -2.257 -9.868 1.00 0.00 N ATOM 1460 CA LEU A 99 2.594 -1.914 -8.696 1.00 0.00 C ATOM 1461 C LEU A 99 1.852 -0.853 -7.882 1.00 0.00 C ATOM 1462 O LEU A 99 1.041 -0.104 -8.424 1.00 0.00 O ATOM 1463 CB LEU A 99 4.009 -1.498 -9.103 1.00 0.00 C ATOM 1464 CG LEU A 99 4.877 -0.899 -7.994 1.00 0.00 C ATOM 1465 CD1 LEU A 99 5.183 -1.939 -6.914 1.00 0.00 C ATOM 1466 CD2 LEU A 99 6.152 -0.279 -8.570 1.00 0.00 C ATOM 0 H LEU A 99 1.686 -1.497 -10.537 1.00 0.00 H new ATOM 0 HA LEU A 99 2.715 -2.784 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.521 -2.371 -9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.934 -0.771 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 99 4.315 -0.096 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.801 -1.487 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.250 -2.293 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.716 -2.779 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.751 0.139 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.728 -1.046 -9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.887 0.512 -9.272 1.00 0.00 H new ATOM 1478 N TYR A 100 2.156 -0.822 -6.592 1.00 0.00 N ATOM 1479 CA TYR A 100 1.527 0.135 -5.698 1.00 0.00 C ATOM 1480 C TYR A 100 2.520 0.638 -4.648 1.00 0.00 C ATOM 1481 O TYR A 100 3.342 -0.128 -4.149 1.00 0.00 O ATOM 1482 CB TYR A 100 0.399 -0.622 -4.995 1.00 0.00 C ATOM 1483 CG TYR A 100 -0.749 -1.029 -5.921 1.00 0.00 C ATOM 1484 CD1 TYR A 100 -0.678 -2.210 -6.631 1.00 0.00 C ATOM 1485 CD2 TYR A 100 -1.856 -0.214 -6.046 1.00 0.00 C ATOM 1486 CE1 TYR A 100 -1.758 -2.592 -7.502 1.00 0.00 C ATOM 1487 CE2 TYR A 100 -2.937 -0.597 -6.917 1.00 0.00 C ATOM 1488 CZ TYR A 100 -2.834 -1.767 -7.603 1.00 0.00 C ATOM 1489 OH TYR A 100 -3.855 -2.128 -8.426 1.00 0.00 O ATOM 0 H TYR A 100 2.829 -1.444 -6.145 1.00 0.00 H new ATOM 0 HA TYR A 100 1.166 1.000 -6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.811 -1.517 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.002 0.001 -4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.188 -2.848 -6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.911 0.711 -5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -1.715 -3.514 -8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -3.810 0.030 -7.023 1.00 0.00 H new ATOM 0 HH TYR A 100 -4.082 -1.378 -9.014 1.00 0.00 H new ATOM 1499 N THR A 101 2.410 1.923 -4.343 1.00 0.00 N ATOM 1500 CA THR A 101 3.288 2.537 -3.361 1.00 0.00 C ATOM 1501 C THR A 101 2.468 3.159 -2.229 1.00 0.00 C ATOM 1502 O THR A 101 1.239 3.155 -2.272 1.00 0.00 O ATOM 1503 CB THR A 101 4.180 3.544 -4.089 1.00 0.00 C ATOM 1504 OG1 THR A 101 5.064 4.019 -3.078 1.00 0.00 O ATOM 1505 CG2 THR A 101 3.415 4.793 -4.532 1.00 0.00 C ATOM 0 H THR A 101 1.726 2.556 -4.759 1.00 0.00 H new ATOM 0 HA THR A 101 3.931 1.796 -2.886 1.00 0.00 H new ATOM 0 HB THR A 101 4.629 3.067 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.680 4.676 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.095 5.474 -5.043 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.611 4.506 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.993 5.290 -3.659 1.00 0.00 H new ATOM 1513 N PHE A 102 3.182 3.679 -1.241 1.00 0.00 N ATOM 1514 CA PHE A 102 2.537 4.304 -0.099 1.00 0.00 C ATOM 1515 C PHE A 102 2.226 5.775 -0.382 1.00 0.00 C ATOM 1516 O PHE A 102 3.086 6.514 -0.860 1.00 0.00 O ATOM 1517 CB PHE A 102 3.518 4.218 1.071 1.00 0.00 C ATOM 1518 CG PHE A 102 3.743 2.796 1.591 1.00 0.00 C ATOM 1519 CD1 PHE A 102 2.688 2.057 2.028 1.00 0.00 C ATOM 1520 CD2 PHE A 102 4.998 2.272 1.617 1.00 0.00 C ATOM 1521 CE1 PHE A 102 2.897 0.738 2.511 1.00 0.00 C ATOM 1522 CE2 PHE A 102 5.206 0.953 2.099 1.00 0.00 C ATOM 1523 CZ PHE A 102 4.152 0.214 2.536 1.00 0.00 C ATOM 0 H PHE A 102 4.201 3.680 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 102 1.597 3.798 0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 102 4.476 4.636 0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.149 4.838 1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.692 2.473 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.836 2.859 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.060 0.151 2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.202 0.536 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.311 -0.789 2.903 1.00 0.00 H new ATOM 1533 N ALA A 103 0.996 6.157 -0.074 1.00 0.00 N ATOM 1534 CA ALA A 103 0.561 7.527 -0.289 1.00 0.00 C ATOM 1535 C ALA A 103 1.150 8.421 0.804 1.00 0.00 C ATOM 1536 O ALA A 103 1.804 7.934 1.725 1.00 0.00 O ATOM 1537 CB ALA A 103 -0.968 7.578 -0.323 1.00 0.00 C ATOM 0 H ALA A 103 0.286 5.542 0.323 1.00 0.00 H new ATOM 0 HA ALA A 103 0.921 7.898 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.294 8.605 -0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.335 6.949 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.365 7.216 0.625 1.00 0.00 H new