USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 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 Set 1.1: A 134 ASN : amide:sc= 0.164 K(o=0.21,f=-2.4) USER MOD Set 1.2: A 138 GLN : amide:sc= 0.048 K(o=0.21,f=-2.1!) USER MOD Set 2.1: A 119 LYS NZ :NH3+ -140:sc= 0.0613 (180deg=0) USER MOD Set 2.2: A 121 TYR OH : rot 180:sc= -0.204 USER MOD Set 3.1: A 79 HIS : no HD1:sc= -1.01! C(o=-0.35!,f=-3.9!) USER MOD Set 3.2: A 125 SER OG : rot 94:sc= 0.662 USER MOD Single : A 86 SER OG : rot 150:sc= -1.3 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 91 THR OG1 : rot 180:sc=-0.00363 USER MOD Single : A 95 LYS NZ :NH3+ -139:sc= -0.0929 (180deg=-0.419) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0.113 (180deg=0.0423) USER MOD Single : A 113 MET CE :methyl -147:sc= 0 (180deg=-0.0337) USER MOD Single : A 115 THR OG1 : rot -83:sc= -0.335 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.245 F(o=-1.5,f=-0.24) USER MOD Single : A 139 MET CE :methyl -159:sc= -1.13 (180deg=-2.86) USER MOD Single : A 142 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.45) USER MOD Single : A 148 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.24) USER MOD Single : A 151 THR OG1 : rot 22:sc= -2.39! USER MOD Single : A 152 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 195 N PHE A 78 7.373 7.424 -2.037 1.00 0.00 N ATOM 196 CA PHE A 78 5.919 7.528 -2.048 1.00 0.00 C ATOM 197 C PHE A 78 5.279 6.272 -1.462 1.00 0.00 C ATOM 198 O PHE A 78 5.481 5.167 -1.966 1.00 0.00 O ATOM 199 CB PHE A 78 5.413 7.754 -3.474 1.00 0.00 C ATOM 200 CG PHE A 78 5.692 9.134 -3.997 1.00 0.00 C ATOM 201 CD1 PHE A 78 6.969 9.491 -4.401 1.00 0.00 C ATOM 202 CD2 PHE A 78 4.678 10.074 -4.085 1.00 0.00 C ATOM 203 CE1 PHE A 78 7.229 10.760 -4.884 1.00 0.00 C ATOM 204 CE2 PHE A 78 4.932 11.344 -4.567 1.00 0.00 C ATOM 205 CZ PHE A 78 6.209 11.688 -4.966 1.00 0.00 C ATOM 0 HA PHE A 78 5.636 8.381 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.877 7.023 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.338 7.574 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.770 8.769 -4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.678 9.811 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.228 11.025 -5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.133 12.067 -4.632 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.410 12.681 -5.341 1.00 0.00 H new ATOM 215 N HIS A 79 4.508 6.451 -0.394 1.00 0.00 N ATOM 216 CA HIS A 79 3.838 5.333 0.261 1.00 0.00 C ATOM 217 C HIS A 79 2.486 5.055 -0.388 1.00 0.00 C ATOM 218 O HIS A 79 1.788 5.976 -0.814 1.00 0.00 O ATOM 219 CB HIS A 79 3.653 5.624 1.750 1.00 0.00 C ATOM 220 CG HIS A 79 4.869 6.204 2.403 1.00 0.00 C ATOM 221 ND1 HIS A 79 6.017 6.522 1.708 1.00 0.00 N ATOM 222 CD2 HIS A 79 5.113 6.524 3.696 1.00 0.00 C ATOM 223 CE1 HIS A 79 6.915 7.012 2.545 1.00 0.00 C ATOM 224 NE2 HIS A 79 6.391 7.024 3.758 1.00 0.00 N ATOM 0 H HIS A 79 4.332 7.359 0.036 1.00 0.00 H new ATOM 0 HA HIS A 79 4.464 4.448 0.147 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.819 6.314 1.876 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.382 4.700 2.261 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.430 6.408 4.524 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.908 7.346 2.282 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.859 7.351 4.603 1.00 0.00 H new ATOM 232 N VAL A 80 2.121 3.778 -0.460 1.00 0.00 N ATOM 233 CA VAL A 80 0.852 3.379 -1.056 1.00 0.00 C ATOM 234 C VAL A 80 -0.019 2.636 -0.049 1.00 0.00 C ATOM 235 O VAL A 80 0.483 1.883 0.785 1.00 0.00 O ATOM 236 CB VAL A 80 1.069 2.482 -2.290 1.00 0.00 C ATOM 237 CG1 VAL A 80 -0.255 1.911 -2.775 1.00 0.00 C ATOM 238 CG2 VAL A 80 1.761 3.260 -3.398 1.00 0.00 C ATOM 0 H VAL A 80 2.686 3.003 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 80 0.346 4.294 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 80 1.713 1.650 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.082 1.280 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.707 1.316 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.926 2.727 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.906 2.611 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.145 4.112 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.729 3.615 -3.044 1.00 0.00 H new ATOM 248 N PHE A 81 -1.327 2.854 -0.132 1.00 0.00 N ATOM 249 CA PHE A 81 -2.269 2.206 0.773 1.00 0.00 C ATOM 250 C PHE A 81 -2.850 0.944 0.141 1.00 0.00 C ATOM 251 O PHE A 81 -3.245 0.946 -1.025 1.00 0.00 O ATOM 252 CB PHE A 81 -3.398 3.170 1.144 1.00 0.00 C ATOM 253 CG PHE A 81 -4.632 2.480 1.652 1.00 0.00 C ATOM 254 CD1 PHE A 81 -4.673 1.960 2.935 1.00 0.00 C ATOM 255 CD2 PHE A 81 -5.751 2.353 0.845 1.00 0.00 C ATOM 256 CE1 PHE A 81 -5.808 1.325 3.405 1.00 0.00 C ATOM 257 CE2 PHE A 81 -6.889 1.719 1.310 1.00 0.00 C ATOM 258 CZ PHE A 81 -6.916 1.204 2.591 1.00 0.00 C ATOM 0 H PHE A 81 -1.759 3.474 -0.817 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.730 1.923 1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.039 3.862 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.658 3.766 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.809 2.051 3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.735 2.753 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.827 0.924 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.755 1.627 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.803 0.707 2.955 1.00 0.00 H new ATOM 268 N VAL A 82 -2.898 -0.132 0.919 1.00 0.00 N ATOM 269 CA VAL A 82 -3.431 -1.401 0.437 1.00 0.00 C ATOM 270 C VAL A 82 -4.411 -2.001 1.439 1.00 0.00 C ATOM 271 O VAL A 82 -4.105 -2.128 2.624 1.00 0.00 O ATOM 272 CB VAL A 82 -2.305 -2.416 0.167 1.00 0.00 C ATOM 273 CG1 VAL A 82 -2.792 -3.520 -0.759 1.00 0.00 C ATOM 274 CG2 VAL A 82 -1.087 -1.717 -0.418 1.00 0.00 C ATOM 0 H VAL A 82 -2.574 -0.151 1.886 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.953 -1.191 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.015 -2.871 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.983 -4.228 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.632 -4.039 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.111 -3.086 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.301 -2.449 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.360 -1.234 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.726 -0.966 0.285 1.00 0.00 H new ATOM 284 N GLY A 83 -5.593 -2.370 0.954 1.00 0.00 N ATOM 285 CA GLY A 83 -6.601 -2.954 1.820 1.00 0.00 C ATOM 286 C GLY A 83 -7.257 -4.174 1.205 1.00 0.00 C ATOM 287 O GLY A 83 -6.923 -4.571 0.089 1.00 0.00 O ATOM 0 H GLY A 83 -5.870 -2.275 -0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.143 -3.231 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.364 -2.207 2.040 1.00 0.00 H new ATOM 291 N ASP A 84 -8.192 -4.772 1.935 1.00 0.00 N ATOM 292 CA ASP A 84 -8.897 -5.955 1.456 1.00 0.00 C ATOM 293 C ASP A 84 -7.916 -7.078 1.133 1.00 0.00 C ATOM 294 O ASP A 84 -8.023 -7.730 0.093 1.00 0.00 O ATOM 295 CB ASP A 84 -9.727 -5.613 0.217 1.00 0.00 C ATOM 296 CG ASP A 84 -10.970 -6.473 0.098 1.00 0.00 C ATOM 297 OD1 ASP A 84 -11.549 -6.829 1.146 1.00 0.00 O ATOM 298 OD2 ASP A 84 -11.364 -6.790 -1.044 1.00 0.00 O ATOM 0 H ASP A 84 -8.479 -4.457 2.861 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.564 -6.296 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.017 -4.563 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.113 -5.741 -0.675 1.00 0.00 H new ATOM 303 N LEU A 85 -6.961 -7.297 2.029 1.00 0.00 N ATOM 304 CA LEU A 85 -5.959 -8.341 1.839 1.00 0.00 C ATOM 305 C LEU A 85 -6.309 -9.585 2.649 1.00 0.00 C ATOM 306 O LEU A 85 -6.621 -9.498 3.837 1.00 0.00 O ATOM 307 CB LEU A 85 -4.576 -7.828 2.243 1.00 0.00 C ATOM 308 CG LEU A 85 -4.195 -6.442 1.721 1.00 0.00 C ATOM 309 CD1 LEU A 85 -2.907 -5.962 2.371 1.00 0.00 C ATOM 310 CD2 LEU A 85 -4.055 -6.463 0.206 1.00 0.00 C ATOM 0 H LEU A 85 -6.859 -6.766 2.894 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.946 -8.609 0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.520 -7.812 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.830 -8.543 1.896 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.991 -5.745 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.652 -4.974 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.043 -5.908 3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.102 -6.660 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.784 -5.468 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.279 -7.174 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.002 -6.762 -0.243 1.00 0.00 H new ATOM 322 N SER A 86 -6.254 -10.743 1.999 1.00 0.00 N ATOM 323 CA SER A 86 -6.566 -12.006 2.658 1.00 0.00 C ATOM 324 C SER A 86 -5.745 -12.170 3.934 1.00 0.00 C ATOM 325 O SER A 86 -4.658 -11.612 4.079 1.00 0.00 O ATOM 326 CB SER A 86 -6.301 -13.179 1.713 1.00 0.00 C ATOM 327 OG SER A 86 -5.907 -14.335 2.432 1.00 0.00 O ATOM 0 H SER A 86 -5.996 -10.833 1.016 1.00 0.00 H new ATOM 0 HA SER A 86 -7.623 -11.996 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.200 -13.395 1.136 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.522 -12.907 1.001 1.00 0.00 H new ATOM 0 HG SER A 86 -6.197 -15.136 1.948 1.00 0.00 H new ATOM 333 N PRO A 87 -6.278 -12.956 4.882 1.00 0.00 N ATOM 334 CA PRO A 87 -5.612 -13.214 6.162 1.00 0.00 C ATOM 335 C PRO A 87 -4.368 -14.081 6.004 1.00 0.00 C ATOM 336 O PRO A 87 -3.533 -14.154 6.906 1.00 0.00 O ATOM 337 CB PRO A 87 -6.679 -13.952 6.974 1.00 0.00 C ATOM 338 CG PRO A 87 -7.558 -14.589 5.954 1.00 0.00 C ATOM 339 CD PRO A 87 -7.570 -13.654 4.776 1.00 0.00 C ATOM 0 HA PRO A 87 -5.260 -12.295 6.631 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -6.231 -14.697 7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.241 -13.265 7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.178 -15.570 5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -8.565 -14.738 6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.658 -14.195 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.408 -12.958 4.824 1.00 0.00 H new ATOM 347 N GLU A 88 -4.250 -14.735 4.853 1.00 0.00 N ATOM 348 CA GLU A 88 -3.107 -15.598 4.579 1.00 0.00 C ATOM 349 C GLU A 88 -1.983 -14.814 3.907 1.00 0.00 C ATOM 350 O GLU A 88 -0.886 -15.334 3.701 1.00 0.00 O ATOM 351 CB GLU A 88 -3.526 -16.771 3.691 1.00 0.00 C ATOM 352 CG GLU A 88 -3.451 -16.467 2.204 1.00 0.00 C ATOM 353 CD GLU A 88 -3.715 -17.689 1.345 1.00 0.00 C ATOM 354 OE1 GLU A 88 -2.916 -18.646 1.412 1.00 0.00 O ATOM 355 OE2 GLU A 88 -4.722 -17.687 0.606 1.00 0.00 O ATOM 0 H GLU A 88 -4.931 -14.684 4.096 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.740 -15.985 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.889 -17.628 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.546 -17.060 3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.176 -15.691 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.465 -16.068 1.968 1.00 0.00 H new ATOM 362 N ILE A 89 -2.265 -13.561 3.567 1.00 0.00 N ATOM 363 CA ILE A 89 -1.279 -12.705 2.919 1.00 0.00 C ATOM 364 C ILE A 89 -0.277 -12.157 3.930 1.00 0.00 C ATOM 365 O ILE A 89 -0.649 -11.743 5.028 1.00 0.00 O ATOM 366 CB ILE A 89 -1.949 -11.527 2.188 1.00 0.00 C ATOM 367 CG1 ILE A 89 -2.840 -12.042 1.056 1.00 0.00 C ATOM 368 CG2 ILE A 89 -0.896 -10.571 1.647 1.00 0.00 C ATOM 369 CD1 ILE A 89 -2.080 -12.778 -0.025 1.00 0.00 C ATOM 0 H ILE A 89 -3.168 -13.116 3.729 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.755 -13.324 2.190 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.573 -10.985 2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.596 -12.707 1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.368 -11.200 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.385 -9.744 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.299 -10.183 2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.249 -11.100 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.775 -13.114 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.342 -12.110 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.574 -13.641 0.409 1.00 0.00 H new ATOM 381 N THR A 90 0.998 -12.156 3.551 1.00 0.00 N ATOM 382 CA THR A 90 2.054 -11.659 4.424 1.00 0.00 C ATOM 383 C THR A 90 2.779 -10.477 3.790 1.00 0.00 C ATOM 384 O THR A 90 2.522 -10.121 2.640 1.00 0.00 O ATOM 385 CB THR A 90 3.079 -12.761 4.750 1.00 0.00 C ATOM 386 OG1 THR A 90 4.064 -12.261 5.660 1.00 0.00 O ATOM 387 CG2 THR A 90 3.758 -13.260 3.484 1.00 0.00 C ATOM 0 H THR A 90 1.324 -12.494 2.645 1.00 0.00 H new ATOM 0 HA THR A 90 1.575 -11.335 5.348 1.00 0.00 H new ATOM 0 HB THR A 90 2.549 -13.594 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.711 -12.969 5.863 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.478 -14.038 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.009 -13.668 2.806 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.275 -12.433 2.998 1.00 0.00 H new ATOM 395 N THR A 91 3.690 -9.872 4.547 1.00 0.00 N ATOM 396 CA THR A 91 4.453 -8.731 4.060 1.00 0.00 C ATOM 397 C THR A 91 5.054 -9.016 2.689 1.00 0.00 C ATOM 398 O THR A 91 4.956 -8.197 1.776 1.00 0.00 O ATOM 399 CB THR A 91 5.583 -8.353 5.035 1.00 0.00 C ATOM 400 OG1 THR A 91 5.030 -7.824 6.246 1.00 0.00 O ATOM 401 CG2 THR A 91 6.518 -7.329 4.410 1.00 0.00 C ATOM 0 H THR A 91 3.917 -10.154 5.501 1.00 0.00 H new ATOM 0 HA THR A 91 3.757 -7.896 3.982 1.00 0.00 H new ATOM 0 HB THR A 91 6.154 -9.254 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.755 -7.588 6.861 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.308 -7.078 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.961 -7.745 3.505 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.956 -6.429 4.159 1.00 0.00 H new ATOM 409 N GLU A 92 5.676 -10.183 2.552 1.00 0.00 N ATOM 410 CA GLU A 92 6.294 -10.576 1.290 1.00 0.00 C ATOM 411 C GLU A 92 5.277 -10.540 0.153 1.00 0.00 C ATOM 412 O GLU A 92 5.479 -9.861 -0.854 1.00 0.00 O ATOM 413 CB GLU A 92 6.897 -11.977 1.407 1.00 0.00 C ATOM 414 CG GLU A 92 7.924 -12.107 2.519 1.00 0.00 C ATOM 415 CD GLU A 92 8.734 -13.385 2.418 1.00 0.00 C ATOM 416 OE1 GLU A 92 8.131 -14.477 2.490 1.00 0.00 O ATOM 417 OE2 GLU A 92 9.970 -13.294 2.268 1.00 0.00 O ATOM 0 H GLU A 92 5.765 -10.872 3.298 1.00 0.00 H new ATOM 0 HA GLU A 92 7.089 -9.865 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.095 -12.695 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.365 -12.242 0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.598 -11.251 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.416 -12.078 3.483 1.00 0.00 H new ATOM 424 N ASP A 93 4.185 -11.278 0.320 1.00 0.00 N ATOM 425 CA ASP A 93 3.136 -11.331 -0.691 1.00 0.00 C ATOM 426 C ASP A 93 2.955 -9.971 -1.358 1.00 0.00 C ATOM 427 O ASP A 93 3.085 -9.844 -2.576 1.00 0.00 O ATOM 428 CB ASP A 93 1.817 -11.786 -0.065 1.00 0.00 C ATOM 429 CG ASP A 93 1.646 -13.292 -0.104 1.00 0.00 C ATOM 430 OD1 ASP A 93 1.623 -13.857 -1.217 1.00 0.00 O ATOM 431 OD2 ASP A 93 1.536 -13.905 0.979 1.00 0.00 O ATOM 0 H ASP A 93 4.003 -11.848 1.146 1.00 0.00 H new ATOM 0 HA ASP A 93 3.435 -12.052 -1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.773 -11.445 0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.987 -11.315 -0.592 1.00 0.00 H new ATOM 436 N ILE A 94 2.652 -8.959 -0.553 1.00 0.00 N ATOM 437 CA ILE A 94 2.453 -7.609 -1.066 1.00 0.00 C ATOM 438 C ILE A 94 3.574 -7.212 -2.020 1.00 0.00 C ATOM 439 O ILE A 94 3.332 -6.908 -3.188 1.00 0.00 O ATOM 440 CB ILE A 94 2.377 -6.578 0.076 1.00 0.00 C ATOM 441 CG1 ILE A 94 1.220 -6.914 1.020 1.00 0.00 C ATOM 442 CG2 ILE A 94 2.217 -5.174 -0.487 1.00 0.00 C ATOM 443 CD1 ILE A 94 0.902 -5.810 2.003 1.00 0.00 C ATOM 0 H ILE A 94 2.539 -9.048 0.457 1.00 0.00 H new ATOM 0 HA ILE A 94 1.505 -7.613 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 94 3.307 -6.617 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.330 -7.130 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.464 -7.822 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.165 -4.457 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.070 -4.937 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.301 -5.120 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.072 -6.117 2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.778 -5.609 2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.626 -4.907 1.459 1.00 0.00 H new ATOM 455 N LYS A 95 4.803 -7.220 -1.516 1.00 0.00 N ATOM 456 CA LYS A 95 5.964 -6.864 -2.323 1.00 0.00 C ATOM 457 C LYS A 95 5.923 -7.568 -3.675 1.00 0.00 C ATOM 458 O LYS A 95 6.269 -6.982 -4.701 1.00 0.00 O ATOM 459 CB LYS A 95 7.255 -7.228 -1.585 1.00 0.00 C ATOM 460 CG LYS A 95 7.799 -6.105 -0.720 1.00 0.00 C ATOM 461 CD LYS A 95 8.884 -6.601 0.220 1.00 0.00 C ATOM 462 CE LYS A 95 8.304 -7.061 1.549 1.00 0.00 C ATOM 463 NZ LYS A 95 9.253 -7.930 2.298 1.00 0.00 N ATOM 0 H LYS A 95 5.021 -7.469 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 95 5.941 -5.788 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.072 -8.101 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.013 -7.513 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.200 -5.316 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.987 -5.665 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.423 -7.425 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.608 -5.805 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.052 -6.191 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.376 -7.605 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.733 -8.719 2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.970 -8.305 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.720 -7.373 3.042 1.00 0.00 H new ATOM 477 N ALA A 96 5.496 -8.826 -3.670 1.00 0.00 N ATOM 478 CA ALA A 96 5.406 -9.608 -4.897 1.00 0.00 C ATOM 479 C ALA A 96 4.434 -8.971 -5.883 1.00 0.00 C ATOM 480 O ALA A 96 4.642 -9.022 -7.095 1.00 0.00 O ATOM 481 CB ALA A 96 4.984 -11.036 -4.583 1.00 0.00 C ATOM 0 H ALA A 96 5.207 -9.326 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 96 6.392 -9.627 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.921 -11.609 -5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.719 -11.495 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.010 -11.028 -4.094 1.00 0.00 H new ATOM 487 N ALA A 97 3.371 -8.371 -5.357 1.00 0.00 N ATOM 488 CA ALA A 97 2.368 -7.723 -6.192 1.00 0.00 C ATOM 489 C ALA A 97 2.917 -6.447 -6.819 1.00 0.00 C ATOM 490 O ALA A 97 2.886 -6.279 -8.039 1.00 0.00 O ATOM 491 CB ALA A 97 1.120 -7.418 -5.376 1.00 0.00 C ATOM 0 H ALA A 97 3.183 -8.320 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 97 2.104 -8.408 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.379 -6.934 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.708 -8.346 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.378 -6.755 -4.550 1.00 0.00 H new ATOM 497 N PHE A 98 3.419 -5.548 -5.979 1.00 0.00 N ATOM 498 CA PHE A 98 3.974 -4.285 -6.451 1.00 0.00 C ATOM 499 C PHE A 98 5.450 -4.438 -6.806 1.00 0.00 C ATOM 500 O PHE A 98 6.126 -3.463 -7.130 1.00 0.00 O ATOM 501 CB PHE A 98 3.804 -3.199 -5.387 1.00 0.00 C ATOM 502 CG PHE A 98 2.388 -3.044 -4.911 1.00 0.00 C ATOM 503 CD1 PHE A 98 1.833 -3.963 -4.036 1.00 0.00 C ATOM 504 CD2 PHE A 98 1.612 -1.978 -5.338 1.00 0.00 C ATOM 505 CE1 PHE A 98 0.530 -3.823 -3.595 1.00 0.00 C ATOM 506 CE2 PHE A 98 0.309 -1.833 -4.900 1.00 0.00 C ATOM 507 CZ PHE A 98 -0.233 -2.757 -4.028 1.00 0.00 C ATOM 0 H PHE A 98 3.453 -5.671 -4.967 1.00 0.00 H new ATOM 0 HA PHE A 98 3.431 -3.992 -7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 98 4.442 -3.433 -4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.149 -2.248 -5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.425 -4.799 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.030 -1.253 -6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.110 -4.547 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.285 -0.997 -5.240 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.251 -2.646 -3.686 1.00 0.00 H new ATOM 517 N ALA A 99 5.944 -5.671 -6.741 1.00 0.00 N ATOM 518 CA ALA A 99 7.338 -5.953 -7.056 1.00 0.00 C ATOM 519 C ALA A 99 7.691 -5.478 -8.462 1.00 0.00 C ATOM 520 O ALA A 99 8.565 -4.633 -8.657 1.00 0.00 O ATOM 521 CB ALA A 99 7.621 -7.441 -6.914 1.00 0.00 C ATOM 0 H ALA A 99 5.398 -6.490 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 99 7.962 -5.406 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.666 -7.637 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.418 -7.754 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.982 -8.000 -7.598 1.00 0.00 H new ATOM 527 N PRO A 100 6.996 -6.032 -9.466 1.00 0.00 N ATOM 528 CA PRO A 100 7.219 -5.680 -10.872 1.00 0.00 C ATOM 529 C PRO A 100 6.748 -4.266 -11.196 1.00 0.00 C ATOM 530 O PRO A 100 6.878 -3.803 -12.330 1.00 0.00 O ATOM 531 CB PRO A 100 6.381 -6.711 -11.633 1.00 0.00 C ATOM 532 CG PRO A 100 5.315 -7.115 -10.673 1.00 0.00 C ATOM 533 CD PRO A 100 5.939 -7.046 -9.307 1.00 0.00 C ATOM 0 HA PRO A 100 8.277 -5.694 -11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.955 -6.283 -12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.985 -7.566 -11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.455 -6.450 -10.743 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.957 -8.122 -10.888 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.213 -6.754 -8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 100 6.349 -8.009 -9.003 1.00 0.00 H new ATOM 541 N PHE A 101 6.201 -3.585 -10.195 1.00 0.00 N ATOM 542 CA PHE A 101 5.710 -2.224 -10.374 1.00 0.00 C ATOM 543 C PHE A 101 6.722 -1.208 -9.852 1.00 0.00 C ATOM 544 O PHE A 101 6.410 -0.028 -9.698 1.00 0.00 O ATOM 545 CB PHE A 101 4.372 -2.042 -9.656 1.00 0.00 C ATOM 546 CG PHE A 101 3.249 -2.826 -10.274 1.00 0.00 C ATOM 547 CD1 PHE A 101 3.167 -4.198 -10.100 1.00 0.00 C ATOM 548 CD2 PHE A 101 2.276 -2.191 -11.028 1.00 0.00 C ATOM 549 CE1 PHE A 101 2.135 -4.922 -10.668 1.00 0.00 C ATOM 550 CE2 PHE A 101 1.242 -2.909 -11.598 1.00 0.00 C ATOM 551 CZ PHE A 101 1.171 -4.277 -11.417 1.00 0.00 C ATOM 0 H PHE A 101 6.087 -3.954 -9.251 1.00 0.00 H new ATOM 0 HA PHE A 101 5.567 -2.054 -11.441 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.484 -2.342 -8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.109 -0.984 -9.656 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.918 -4.708 -9.514 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.326 -1.122 -11.172 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.083 -5.991 -10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.490 -2.401 -12.184 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.363 -4.840 -11.860 1.00 0.00 H new ATOM 561 N GLY A 102 7.937 -1.676 -9.582 1.00 0.00 N ATOM 562 CA GLY A 102 8.976 -0.797 -9.079 1.00 0.00 C ATOM 563 C GLY A 102 9.584 -1.298 -7.784 1.00 0.00 C ATOM 564 O GLY A 102 8.897 -1.905 -6.962 1.00 0.00 O ATOM 0 H GLY A 102 8.220 -2.648 -9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.760 -0.699 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.560 0.198 -8.920 1.00 0.00 H new ATOM 568 N ARG A 103 10.876 -1.047 -7.603 1.00 0.00 N ATOM 569 CA ARG A 103 11.577 -1.480 -6.400 1.00 0.00 C ATOM 570 C ARG A 103 10.885 -0.952 -5.147 1.00 0.00 C ATOM 571 O ARG A 103 10.661 0.251 -5.011 1.00 0.00 O ATOM 572 CB ARG A 103 13.031 -1.005 -6.432 1.00 0.00 C ATOM 573 CG ARG A 103 13.959 -1.932 -7.199 1.00 0.00 C ATOM 574 CD ARG A 103 15.299 -1.272 -7.480 1.00 0.00 C ATOM 575 NE ARG A 103 16.050 -1.976 -8.516 1.00 0.00 N ATOM 576 CZ ARG A 103 17.203 -1.542 -9.012 1.00 0.00 C ATOM 577 NH1 ARG A 103 17.736 -0.411 -8.568 1.00 0.00 N ATOM 578 NH2 ARG A 103 17.827 -2.239 -9.954 1.00 0.00 N ATOM 0 H ARG A 103 11.459 -0.546 -8.274 1.00 0.00 H new ATOM 0 HA ARG A 103 11.559 -2.569 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.070 -0.013 -6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.394 -0.906 -5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.116 -2.846 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.490 -2.221 -8.140 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.137 -0.239 -7.789 1.00 0.00 H new ATOM 0 HD3 ARG A 103 15.887 -1.242 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 103 15.668 -2.849 -8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.260 0.127 -7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.622 -0.080 -8.951 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.421 -3.109 -10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.712 -1.904 -10.334 1.00 0.00 H new ATOM 592 N ILE A 104 10.549 -1.858 -4.236 1.00 0.00 N ATOM 593 CA ILE A 104 9.883 -1.483 -2.995 1.00 0.00 C ATOM 594 C ILE A 104 10.874 -1.418 -1.837 1.00 0.00 C ATOM 595 O ILE A 104 11.693 -2.319 -1.657 1.00 0.00 O ATOM 596 CB ILE A 104 8.758 -2.472 -2.638 1.00 0.00 C ATOM 597 CG1 ILE A 104 7.915 -2.787 -3.875 1.00 0.00 C ATOM 598 CG2 ILE A 104 7.887 -1.906 -1.527 1.00 0.00 C ATOM 599 CD1 ILE A 104 7.072 -4.035 -3.730 1.00 0.00 C ATOM 0 H ILE A 104 10.727 -2.858 -4.334 1.00 0.00 H new ATOM 0 HA ILE A 104 9.450 -0.496 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 104 9.209 -3.399 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.262 -1.940 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 104 8.575 -2.902 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.097 -2.617 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.497 -1.728 -0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.442 -0.967 -1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.501 -4.197 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.720 -4.893 -3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.387 -3.916 -2.891 1.00 0.00 H new ATOM 611 N SER A 105 10.792 -0.347 -1.055 1.00 0.00 N ATOM 612 CA SER A 105 11.683 -0.163 0.085 1.00 0.00 C ATOM 613 C SER A 105 10.968 -0.493 1.392 1.00 0.00 C ATOM 614 O SER A 105 11.363 -1.410 2.113 1.00 0.00 O ATOM 615 CB SER A 105 12.204 1.275 0.125 1.00 0.00 C ATOM 616 OG SER A 105 13.474 1.340 0.751 1.00 0.00 O ATOM 0 H SER A 105 10.118 0.407 -1.190 1.00 0.00 H new ATOM 0 HA SER A 105 12.526 -0.844 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.274 1.668 -0.889 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.497 1.906 0.663 1.00 0.00 H new ATOM 0 HG SER A 105 13.786 2.269 0.762 1.00 0.00 H new ATOM 622 N ASP A 106 9.916 0.260 1.690 1.00 0.00 N ATOM 623 CA ASP A 106 9.144 0.048 2.909 1.00 0.00 C ATOM 624 C ASP A 106 7.867 -0.733 2.614 1.00 0.00 C ATOM 625 O ASP A 106 6.898 -0.184 2.091 1.00 0.00 O ATOM 626 CB ASP A 106 8.799 1.388 3.559 1.00 0.00 C ATOM 627 CG ASP A 106 8.026 1.222 4.853 1.00 0.00 C ATOM 628 OD1 ASP A 106 8.589 0.653 5.811 1.00 0.00 O ATOM 629 OD2 ASP A 106 6.859 1.663 4.907 1.00 0.00 O ATOM 0 H ASP A 106 9.578 1.023 1.104 1.00 0.00 H new ATOM 0 HA ASP A 106 9.754 -0.535 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.718 1.940 3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.211 1.986 2.862 1.00 0.00 H new ATOM 634 N ALA A 107 7.874 -2.018 2.954 1.00 0.00 N ATOM 635 CA ALA A 107 6.716 -2.874 2.727 1.00 0.00 C ATOM 636 C ALA A 107 6.402 -3.712 3.962 1.00 0.00 C ATOM 637 O ALA A 107 7.262 -4.431 4.471 1.00 0.00 O ATOM 638 CB ALA A 107 6.953 -3.774 1.523 1.00 0.00 C ATOM 0 H ALA A 107 8.668 -2.489 3.387 1.00 0.00 H new ATOM 0 HA ALA A 107 5.857 -2.235 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.080 -4.408 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.121 -3.161 0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 107 7.828 -4.399 1.703 1.00 0.00 H new ATOM 644 N ARG A 108 5.166 -3.612 4.440 1.00 0.00 N ATOM 645 CA ARG A 108 4.740 -4.360 5.617 1.00 0.00 C ATOM 646 C ARG A 108 3.218 -4.440 5.689 1.00 0.00 C ATOM 647 O ARG A 108 2.514 -3.679 5.024 1.00 0.00 O ATOM 648 CB ARG A 108 5.287 -3.707 6.888 1.00 0.00 C ATOM 649 CG ARG A 108 4.531 -2.456 7.304 1.00 0.00 C ATOM 650 CD ARG A 108 4.928 -2.004 8.701 1.00 0.00 C ATOM 651 NE ARG A 108 6.201 -1.288 8.704 1.00 0.00 N ATOM 652 CZ ARG A 108 7.383 -1.892 8.763 1.00 0.00 C ATOM 653 NH1 ARG A 108 7.453 -3.214 8.822 1.00 0.00 N ATOM 654 NH2 ARG A 108 8.497 -1.172 8.761 1.00 0.00 N ATOM 0 H ARG A 108 4.442 -3.021 4.031 1.00 0.00 H new ATOM 0 HA ARG A 108 5.137 -5.372 5.536 1.00 0.00 H new ATOM 0 HB2 ARG A 108 5.251 -4.431 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 108 6.336 -3.453 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 108 4.730 -1.656 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 108 3.459 -2.651 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 108 4.149 -1.360 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 108 4.999 -2.872 9.356 1.00 0.00 H new ATOM 0 HE ARG A 108 6.182 -0.269 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 108 6.598 -3.770 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.362 -3.675 8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.446 -0.154 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 108 9.404 -1.636 8.806 1.00 0.00 H new ATOM 668 N VAL A 109 2.717 -5.366 6.499 1.00 0.00 N ATOM 669 CA VAL A 109 1.278 -5.546 6.658 1.00 0.00 C ATOM 670 C VAL A 109 0.825 -5.141 8.056 1.00 0.00 C ATOM 671 O VAL A 109 1.344 -5.637 9.057 1.00 0.00 O ATOM 672 CB VAL A 109 0.863 -7.006 6.399 1.00 0.00 C ATOM 673 CG1 VAL A 109 -0.585 -7.231 6.808 1.00 0.00 C ATOM 674 CG2 VAL A 109 1.075 -7.368 4.936 1.00 0.00 C ATOM 0 H VAL A 109 3.286 -6.004 7.056 1.00 0.00 H new ATOM 0 HA VAL A 109 0.795 -4.903 5.922 1.00 0.00 H new ATOM 0 HB VAL A 109 1.492 -7.657 7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.860 -8.268 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.701 -7.014 7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.233 -6.572 6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.777 -8.403 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.473 -6.712 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.128 -7.249 4.681 1.00 0.00 H new ATOM 684 N VAL A 110 -0.146 -4.236 8.119 1.00 0.00 N ATOM 685 CA VAL A 110 -0.671 -3.765 9.395 1.00 0.00 C ATOM 686 C VAL A 110 -1.196 -4.924 10.235 1.00 0.00 C ATOM 687 O VAL A 110 -1.887 -5.809 9.730 1.00 0.00 O ATOM 688 CB VAL A 110 -1.802 -2.739 9.192 1.00 0.00 C ATOM 689 CG1 VAL A 110 -2.260 -2.178 10.529 1.00 0.00 C ATOM 690 CG2 VAL A 110 -1.348 -1.623 8.263 1.00 0.00 C ATOM 0 H VAL A 110 -0.585 -3.814 7.301 1.00 0.00 H new ATOM 0 HA VAL A 110 0.155 -3.285 9.919 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.649 -3.244 8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.059 -1.455 10.366 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.627 -2.989 11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.422 -1.687 11.024 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.159 -0.907 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.485 -1.117 8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.074 -2.044 7.296 1.00 0.00 H new ATOM 700 N LYS A 111 -0.864 -4.912 11.521 1.00 0.00 N ATOM 701 CA LYS A 111 -1.302 -5.961 12.434 1.00 0.00 C ATOM 702 C LYS A 111 -1.799 -5.366 13.748 1.00 0.00 C ATOM 703 O LYS A 111 -1.345 -4.303 14.170 1.00 0.00 O ATOM 704 CB LYS A 111 -0.158 -6.940 12.707 1.00 0.00 C ATOM 705 CG LYS A 111 -0.043 -8.044 11.670 1.00 0.00 C ATOM 706 CD LYS A 111 1.320 -8.714 11.718 1.00 0.00 C ATOM 707 CE LYS A 111 1.669 -9.365 10.388 1.00 0.00 C ATOM 708 NZ LYS A 111 2.102 -8.362 9.376 1.00 0.00 N ATOM 0 H LYS A 111 -0.293 -4.187 11.955 1.00 0.00 H new ATOM 0 HA LYS A 111 -2.126 -6.497 11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.781 -6.388 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.302 -7.389 13.690 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.821 -8.788 11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.211 -7.630 10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.080 -7.976 11.974 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.329 -9.467 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.464 -10.095 10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.803 -9.910 10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 2.233 -8.831 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.376 -7.623 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.000 -7.931 9.676 1.00 0.00 H new ATOM 722 N ASP A 112 -2.733 -6.059 14.390 1.00 0.00 N ATOM 723 CA ASP A 112 -3.290 -5.601 15.658 1.00 0.00 C ATOM 724 C ASP A 112 -2.198 -5.467 16.714 1.00 0.00 C ATOM 725 O ASP A 112 -1.486 -6.427 17.010 1.00 0.00 O ATOM 726 CB ASP A 112 -4.372 -6.566 16.143 1.00 0.00 C ATOM 727 CG ASP A 112 -4.919 -6.185 17.505 1.00 0.00 C ATOM 728 OD1 ASP A 112 -5.073 -4.974 17.764 1.00 0.00 O ATOM 729 OD2 ASP A 112 -5.193 -7.099 18.311 1.00 0.00 O ATOM 0 H ASP A 112 -3.121 -6.940 14.053 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.737 -4.620 15.497 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.187 -6.586 15.420 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.961 -7.575 16.189 1.00 0.00 H new ATOM 734 N MET A 113 -2.071 -4.271 17.280 1.00 0.00 N ATOM 735 CA MET A 113 -1.066 -4.013 18.304 1.00 0.00 C ATOM 736 C MET A 113 -1.476 -4.631 19.636 1.00 0.00 C ATOM 737 O MET A 113 -0.737 -4.559 20.618 1.00 0.00 O ATOM 738 CB MET A 113 -0.852 -2.507 18.471 1.00 0.00 C ATOM 739 CG MET A 113 -2.067 -1.779 19.021 1.00 0.00 C ATOM 740 SD MET A 113 -1.738 -0.039 19.364 1.00 0.00 S ATOM 741 CE MET A 113 -0.857 -0.161 20.918 1.00 0.00 C ATOM 0 H MET A 113 -2.652 -3.466 17.047 1.00 0.00 H new ATOM 0 HA MET A 113 -0.131 -4.472 17.984 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.006 -2.340 19.138 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.587 -2.077 17.505 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.886 -1.856 18.306 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.396 -2.270 19.937 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.084 0.709 21.534 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.165 -1.066 21.441 1.00 0.00 H new ATOM 0 HE3 MET A 113 0.215 -0.200 20.726 1.00 0.00 H new ATOM 751 N ALA A 114 -2.657 -5.239 19.663 1.00 0.00 N ATOM 752 CA ALA A 114 -3.164 -5.871 20.875 1.00 0.00 C ATOM 753 C ALA A 114 -2.904 -7.374 20.860 1.00 0.00 C ATOM 754 O ALA A 114 -2.575 -7.968 21.887 1.00 0.00 O ATOM 755 CB ALA A 114 -4.652 -5.592 21.033 1.00 0.00 C ATOM 0 H ALA A 114 -3.281 -5.307 18.859 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.633 -5.445 21.727 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.017 -6.070 21.942 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.816 -4.516 21.098 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.190 -5.990 20.173 1.00 0.00 H new ATOM 761 N THR A 115 -3.055 -7.984 19.689 1.00 0.00 N ATOM 762 CA THR A 115 -2.838 -9.418 19.541 1.00 0.00 C ATOM 763 C THR A 115 -1.669 -9.704 18.606 1.00 0.00 C ATOM 764 O THR A 115 -0.945 -10.683 18.782 1.00 0.00 O ATOM 765 CB THR A 115 -4.096 -10.124 19.002 1.00 0.00 C ATOM 766 OG1 THR A 115 -4.291 -9.791 17.622 1.00 0.00 O ATOM 767 CG2 THR A 115 -5.326 -9.724 19.803 1.00 0.00 C ATOM 0 H THR A 115 -3.327 -7.508 18.829 1.00 0.00 H new ATOM 0 HA THR A 115 -2.609 -9.807 20.533 1.00 0.00 H new ATOM 0 HB THR A 115 -3.952 -11.200 19.100 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.751 -8.928 17.556 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.202 -10.235 19.404 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.187 -10.004 20.847 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.471 -8.646 19.732 1.00 0.00 H new ATOM 775 N GLY A 116 -1.488 -8.841 17.610 1.00 0.00 N ATOM 776 CA GLY A 116 -0.404 -9.018 16.662 1.00 0.00 C ATOM 777 C GLY A 116 -0.820 -9.830 15.451 1.00 0.00 C ATOM 778 O GLY A 116 0.013 -10.466 14.805 1.00 0.00 O ATOM 0 H GLY A 116 -2.073 -8.022 17.443 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -0.048 -8.041 16.336 1.00 0.00 H new ATOM 0 HA3 GLY A 116 0.431 -9.513 17.158 1.00 0.00 H new ATOM 782 N LYS A 117 -2.112 -9.810 15.143 1.00 0.00 N ATOM 783 CA LYS A 117 -2.639 -10.550 14.002 1.00 0.00 C ATOM 784 C LYS A 117 -2.825 -9.632 12.798 1.00 0.00 C ATOM 785 O LYS A 117 -2.954 -8.417 12.946 1.00 0.00 O ATOM 786 CB LYS A 117 -3.971 -11.208 14.366 1.00 0.00 C ATOM 787 CG LYS A 117 -3.908 -12.053 15.626 1.00 0.00 C ATOM 788 CD LYS A 117 -3.197 -13.373 15.378 1.00 0.00 C ATOM 789 CE LYS A 117 -2.901 -14.100 16.681 1.00 0.00 C ATOM 790 NZ LYS A 117 -2.277 -15.431 16.444 1.00 0.00 N ATOM 0 H LYS A 117 -2.814 -9.289 15.668 1.00 0.00 H new ATOM 0 HA LYS A 117 -1.919 -11.325 13.739 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.726 -10.433 14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.297 -11.834 13.535 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.389 -11.501 16.410 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.918 -12.245 15.987 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -3.814 -14.005 14.739 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -2.266 -13.191 14.842 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -2.236 -13.491 17.294 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -3.826 -14.227 17.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -2.091 -15.895 17.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -2.922 -16.021 15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.382 -15.308 15.929 1.00 0.00 H new ATOM 804 N SER A 118 -2.839 -10.222 11.607 1.00 0.00 N ATOM 805 CA SER A 118 -3.008 -9.456 10.377 1.00 0.00 C ATOM 806 C SER A 118 -4.305 -8.654 10.410 1.00 0.00 C ATOM 807 O SER A 118 -5.392 -9.214 10.559 1.00 0.00 O ATOM 808 CB SER A 118 -3.003 -10.390 9.165 1.00 0.00 C ATOM 809 OG SER A 118 -2.618 -9.699 7.990 1.00 0.00 O ATOM 0 H SER A 118 -2.735 -11.227 11.467 1.00 0.00 H new ATOM 0 HA SER A 118 -2.173 -8.760 10.294 1.00 0.00 H new ATOM 0 HB2 SER A 118 -2.318 -11.219 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 118 -3.995 -10.820 9.029 1.00 0.00 H new ATOM 0 HG SER A 118 -2.621 -10.318 7.230 1.00 0.00 H new ATOM 815 N LYS A 119 -4.184 -7.339 10.268 1.00 0.00 N ATOM 816 CA LYS A 119 -5.345 -6.457 10.280 1.00 0.00 C ATOM 817 C LYS A 119 -6.110 -6.547 8.964 1.00 0.00 C ATOM 818 O LYS A 119 -7.331 -6.693 8.953 1.00 0.00 O ATOM 819 CB LYS A 119 -4.911 -5.011 10.532 1.00 0.00 C ATOM 820 CG LYS A 119 -4.858 -4.640 12.004 1.00 0.00 C ATOM 821 CD LYS A 119 -5.153 -3.164 12.217 1.00 0.00 C ATOM 822 CE LYS A 119 -4.884 -2.744 13.654 1.00 0.00 C ATOM 823 NZ LYS A 119 -5.271 -1.327 13.900 1.00 0.00 N ATOM 0 H LYS A 119 -3.292 -6.860 10.143 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.005 -6.777 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.927 -4.854 10.091 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.601 -4.339 10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -5.580 -5.240 12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.872 -4.877 12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.539 -2.568 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.194 -2.960 11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -5.437 -3.394 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.826 -2.876 13.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.560 -0.874 14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.325 -0.819 12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.199 -1.297 14.369 1.00 0.00 H new ATOM 837 N GLY A 120 -5.382 -6.460 7.854 1.00 0.00 N ATOM 838 CA GLY A 120 -6.009 -6.536 6.548 1.00 0.00 C ATOM 839 C GLY A 120 -5.373 -5.595 5.544 1.00 0.00 C ATOM 840 O GLY A 120 -5.132 -5.970 4.396 1.00 0.00 O ATOM 0 H GLY A 120 -4.369 -6.338 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -5.943 -7.558 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.069 -6.299 6.643 1.00 0.00 H new ATOM 844 N TYR A 121 -5.101 -4.368 5.975 1.00 0.00 N ATOM 845 CA TYR A 121 -4.493 -3.369 5.105 1.00 0.00 C ATOM 846 C TYR A 121 -2.990 -3.278 5.347 1.00 0.00 C ATOM 847 O TYR A 121 -2.519 -3.456 6.470 1.00 0.00 O ATOM 848 CB TYR A 121 -5.141 -2.002 5.331 1.00 0.00 C ATOM 849 CG TYR A 121 -5.163 -1.575 6.782 1.00 0.00 C ATOM 850 CD1 TYR A 121 -6.089 -2.108 7.670 1.00 0.00 C ATOM 851 CD2 TYR A 121 -4.257 -0.639 7.264 1.00 0.00 C ATOM 852 CE1 TYR A 121 -6.113 -1.720 8.995 1.00 0.00 C ATOM 853 CE2 TYR A 121 -4.272 -0.246 8.589 1.00 0.00 C ATOM 854 CZ TYR A 121 -5.202 -0.789 9.450 1.00 0.00 C ATOM 855 OH TYR A 121 -5.222 -0.401 10.770 1.00 0.00 O ATOM 0 H TYR A 121 -5.292 -4.042 6.922 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.659 -3.675 4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -4.603 -1.254 4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -6.163 -2.027 4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -6.802 -2.838 7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.528 -0.211 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -6.841 -2.143 9.671 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -3.560 0.482 8.948 1.00 0.00 H new ATOM 0 HH TYR A 121 -4.515 0.260 10.928 1.00 0.00 H new ATOM 865 N GLY A 122 -2.241 -2.998 4.285 1.00 0.00 N ATOM 866 CA GLY A 122 -0.799 -2.887 4.402 1.00 0.00 C ATOM 867 C GLY A 122 -0.263 -1.613 3.779 1.00 0.00 C ATOM 868 O GLY A 122 -1.023 -0.811 3.236 1.00 0.00 O ATOM 0 H GLY A 122 -2.607 -2.846 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.520 -2.918 5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.331 -3.747 3.922 1.00 0.00 H new ATOM 872 N PHE A 123 1.050 -1.424 3.858 1.00 0.00 N ATOM 873 CA PHE A 123 1.687 -0.238 3.299 1.00 0.00 C ATOM 874 C PHE A 123 2.829 -0.623 2.363 1.00 0.00 C ATOM 875 O PHE A 123 3.586 -1.553 2.639 1.00 0.00 O ATOM 876 CB PHE A 123 2.213 0.660 4.421 1.00 0.00 C ATOM 877 CG PHE A 123 1.126 1.302 5.235 1.00 0.00 C ATOM 878 CD1 PHE A 123 0.173 2.106 4.632 1.00 0.00 C ATOM 879 CD2 PHE A 123 1.057 1.100 6.604 1.00 0.00 C ATOM 880 CE1 PHE A 123 -0.829 2.698 5.378 1.00 0.00 C ATOM 881 CE2 PHE A 123 0.058 1.688 7.356 1.00 0.00 C ATOM 882 CZ PHE A 123 -0.886 2.489 6.742 1.00 0.00 C ATOM 0 H PHE A 123 1.694 -2.078 4.304 1.00 0.00 H new ATOM 0 HA PHE A 123 0.939 0.309 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 123 2.849 0.069 5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 123 2.840 1.439 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.213 2.273 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.793 0.476 7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -1.566 3.323 4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 123 0.015 1.522 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 123 -1.667 2.951 7.328 1.00 0.00 H new ATOM 892 N VAL A 124 2.945 0.100 1.253 1.00 0.00 N ATOM 893 CA VAL A 124 3.994 -0.164 0.275 1.00 0.00 C ATOM 894 C VAL A 124 4.609 1.134 -0.236 1.00 0.00 C ATOM 895 O VAL A 124 3.932 1.949 -0.862 1.00 0.00 O ATOM 896 CB VAL A 124 3.455 -0.970 -0.921 1.00 0.00 C ATOM 897 CG1 VAL A 124 4.571 -1.266 -1.912 1.00 0.00 C ATOM 898 CG2 VAL A 124 2.799 -2.257 -0.444 1.00 0.00 C ATOM 0 H VAL A 124 2.326 0.873 1.009 1.00 0.00 H new ATOM 0 HA VAL A 124 4.760 -0.750 0.783 1.00 0.00 H new ATOM 0 HB VAL A 124 2.699 -0.371 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.171 -1.836 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.991 -0.329 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.352 -1.845 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.424 -2.814 -1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.532 -2.863 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 124 1.971 -2.018 0.223 1.00 0.00 H new ATOM 908 N SER A 125 5.897 1.319 0.036 1.00 0.00 N ATOM 909 CA SER A 125 6.604 2.520 -0.394 1.00 0.00 C ATOM 910 C SER A 125 7.512 2.220 -1.582 1.00 0.00 C ATOM 911 O SER A 125 8.047 1.118 -1.707 1.00 0.00 O ATOM 912 CB SER A 125 7.427 3.093 0.761 1.00 0.00 C ATOM 913 OG SER A 125 7.885 4.400 0.461 1.00 0.00 O ATOM 0 H SER A 125 6.472 0.653 0.552 1.00 0.00 H new ATOM 0 HA SER A 125 5.863 3.257 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.822 3.115 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.279 2.443 0.963 1.00 0.00 H new ATOM 0 HG SER A 125 7.255 5.058 0.821 1.00 0.00 H new ATOM 919 N PHE A 126 7.683 3.209 -2.453 1.00 0.00 N ATOM 920 CA PHE A 126 8.526 3.053 -3.633 1.00 0.00 C ATOM 921 C PHE A 126 9.541 4.187 -3.730 1.00 0.00 C ATOM 922 O PHE A 126 9.334 5.270 -3.181 1.00 0.00 O ATOM 923 CB PHE A 126 7.666 3.013 -4.898 1.00 0.00 C ATOM 924 CG PHE A 126 6.562 1.996 -4.841 1.00 0.00 C ATOM 925 CD1 PHE A 126 5.555 2.099 -3.895 1.00 0.00 C ATOM 926 CD2 PHE A 126 6.531 0.937 -5.734 1.00 0.00 C ATOM 927 CE1 PHE A 126 4.539 1.164 -3.840 1.00 0.00 C ATOM 928 CE2 PHE A 126 5.517 -0.001 -5.684 1.00 0.00 C ATOM 929 CZ PHE A 126 4.519 0.114 -4.737 1.00 0.00 C ATOM 0 H PHE A 126 7.249 4.128 -2.364 1.00 0.00 H new ATOM 0 HA PHE A 126 9.068 2.112 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 126 7.232 3.999 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.304 2.797 -5.755 1.00 0.00 H new ATOM 0 HD1 PHE A 126 5.564 2.919 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.308 0.843 -6.478 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.761 1.254 -3.096 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.505 -0.823 -6.385 1.00 0.00 H new ATOM 0 HZ PHE A 126 3.724 -0.616 -4.698 1.00 0.00 H new ATOM 939 N PHE A 127 10.641 3.931 -4.431 1.00 0.00 N ATOM 940 CA PHE A 127 11.690 4.929 -4.600 1.00 0.00 C ATOM 941 C PHE A 127 11.183 6.120 -5.406 1.00 0.00 C ATOM 942 O PHE A 127 11.484 7.270 -5.090 1.00 0.00 O ATOM 943 CB PHE A 127 12.906 4.309 -5.293 1.00 0.00 C ATOM 944 CG PHE A 127 13.565 3.224 -4.491 1.00 0.00 C ATOM 945 CD1 PHE A 127 13.737 3.363 -3.123 1.00 0.00 C ATOM 946 CD2 PHE A 127 14.012 2.065 -5.104 1.00 0.00 C ATOM 947 CE1 PHE A 127 14.344 2.366 -2.382 1.00 0.00 C ATOM 948 CE2 PHE A 127 14.620 1.064 -4.368 1.00 0.00 C ATOM 949 CZ PHE A 127 14.785 1.215 -3.006 1.00 0.00 C ATOM 0 H PHE A 127 10.829 3.040 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 127 11.984 5.282 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.597 3.901 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.636 5.092 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 127 13.393 4.260 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 127 13.884 1.941 -6.169 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.473 2.487 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.965 0.166 -4.858 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.258 0.434 -2.429 1.00 0.00 H new ATOM 959 N ASN A 128 10.413 5.835 -6.451 1.00 0.00 N ATOM 960 CA ASN A 128 9.864 6.883 -7.305 1.00 0.00 C ATOM 961 C ASN A 128 8.339 6.855 -7.289 1.00 0.00 C ATOM 962 O ASN A 128 7.728 5.802 -7.101 1.00 0.00 O ATOM 963 CB ASN A 128 10.374 6.721 -8.738 1.00 0.00 C ATOM 964 CG ASN A 128 11.866 6.454 -8.795 1.00 0.00 C ATOM 965 OD1 ASN A 128 12.299 5.305 -8.884 1.00 0.00 O ATOM 966 ND2 ASN A 128 12.659 7.517 -8.742 1.00 0.00 N ATOM 0 H ASN A 128 10.155 4.888 -6.727 1.00 0.00 H new ATOM 0 HA ASN A 128 10.195 7.846 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 128 9.842 5.900 -9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 128 10.147 7.624 -9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 128 13.672 7.400 -8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 128 12.256 8.451 -8.668 1.00 0.00 H new ATOM 973 N LYS A 129 7.729 8.018 -7.488 1.00 0.00 N ATOM 974 CA LYS A 129 6.275 8.128 -7.500 1.00 0.00 C ATOM 975 C LYS A 129 5.670 7.233 -8.576 1.00 0.00 C ATOM 976 O LYS A 129 4.962 6.273 -8.272 1.00 0.00 O ATOM 977 CB LYS A 129 5.855 9.581 -7.734 1.00 0.00 C ATOM 978 CG LYS A 129 4.350 9.786 -7.737 1.00 0.00 C ATOM 979 CD LYS A 129 3.987 11.255 -7.879 1.00 0.00 C ATOM 980 CE LYS A 129 2.654 11.566 -7.217 1.00 0.00 C ATOM 981 NZ LYS A 129 2.578 12.983 -6.763 1.00 0.00 N ATOM 0 H LYS A 129 8.219 8.899 -7.643 1.00 0.00 H new ATOM 0 HA LYS A 129 5.903 7.800 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.297 10.207 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.261 9.919 -8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.907 9.220 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 129 3.927 9.393 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.769 11.869 -7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.940 11.519 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.844 11.365 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 129 2.508 10.903 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.654 13.156 -6.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.335 13.168 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.691 13.616 -7.580 1.00 0.00 H new ATOM 995 N TRP A 130 5.954 7.553 -9.833 1.00 0.00 N ATOM 996 CA TRP A 130 5.439 6.775 -10.955 1.00 0.00 C ATOM 997 C TRP A 130 5.320 5.301 -10.586 1.00 0.00 C ATOM 998 O TRP A 130 4.232 4.726 -10.629 1.00 0.00 O ATOM 999 CB TRP A 130 6.347 6.938 -12.175 1.00 0.00 C ATOM 1000 CG TRP A 130 7.229 8.147 -12.102 1.00 0.00 C ATOM 1001 CD1 TRP A 130 8.594 8.167 -12.099 1.00 0.00 C ATOM 1002 CD2 TRP A 130 6.805 9.513 -12.020 1.00 0.00 C ATOM 1003 NE1 TRP A 130 9.045 9.463 -12.020 1.00 0.00 N ATOM 1004 CE2 TRP A 130 7.968 10.307 -11.971 1.00 0.00 C ATOM 1005 CE3 TRP A 130 5.558 10.142 -11.985 1.00 0.00 C ATOM 1006 CZ2 TRP A 130 7.917 11.696 -11.888 1.00 0.00 C ATOM 1007 CZ3 TRP A 130 5.509 11.520 -11.902 1.00 0.00 C ATOM 1008 CH2 TRP A 130 6.682 12.285 -11.855 1.00 0.00 C ATOM 0 H TRP A 130 6.538 8.345 -10.102 1.00 0.00 H new ATOM 0 HA TRP A 130 4.445 7.150 -11.199 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.969 6.049 -12.277 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.731 7.000 -13.072 1.00 0.00 H new ATOM 0 HD1 TRP A 130 9.226 7.293 -12.151 1.00 0.00 H new ATOM 0 HE1 TRP A 130 10.024 9.750 -12.001 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.648 9.561 -12.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 8.820 12.288 -11.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 4.550 12.016 -11.873 1.00 0.00 H new ATOM 0 HH2 TRP A 130 6.610 13.361 -11.791 1.00 0.00 H new ATOM 1019 N ASP A 131 6.445 4.693 -10.225 1.00 0.00 N ATOM 1020 CA ASP A 131 6.467 3.285 -9.848 1.00 0.00 C ATOM 1021 C ASP A 131 5.216 2.916 -9.055 1.00 0.00 C ATOM 1022 O ASP A 131 4.579 1.897 -9.322 1.00 0.00 O ATOM 1023 CB ASP A 131 7.718 2.974 -9.024 1.00 0.00 C ATOM 1024 CG ASP A 131 8.955 2.823 -9.887 1.00 0.00 C ATOM 1025 OD1 ASP A 131 8.808 2.505 -11.086 1.00 0.00 O ATOM 1026 OD2 ASP A 131 10.071 3.022 -9.363 1.00 0.00 O ATOM 0 H ASP A 131 7.354 5.154 -10.186 1.00 0.00 H new ATOM 0 HA ASP A 131 6.486 2.690 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.879 3.771 -8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.558 2.056 -8.458 1.00 0.00 H new ATOM 1031 N ALA A 132 4.873 3.750 -8.079 1.00 0.00 N ATOM 1032 CA ALA A 132 3.699 3.511 -7.248 1.00 0.00 C ATOM 1033 C ALA A 132 2.414 3.786 -8.022 1.00 0.00 C ATOM 1034 O ALA A 132 1.573 2.902 -8.180 1.00 0.00 O ATOM 1035 CB ALA A 132 3.757 4.371 -5.995 1.00 0.00 C ATOM 0 H ALA A 132 5.391 4.597 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 132 3.698 2.461 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 132 2.875 4.183 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.653 4.124 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.785 5.423 -6.277 1.00 0.00 H new ATOM 1041 N GLU A 133 2.269 5.018 -8.502 1.00 0.00 N ATOM 1042 CA GLU A 133 1.085 5.408 -9.258 1.00 0.00 C ATOM 1043 C GLU A 133 0.660 4.298 -10.214 1.00 0.00 C ATOM 1044 O GLU A 133 -0.498 3.882 -10.224 1.00 0.00 O ATOM 1045 CB GLU A 133 1.353 6.695 -10.040 1.00 0.00 C ATOM 1046 CG GLU A 133 1.219 7.956 -9.202 1.00 0.00 C ATOM 1047 CD GLU A 133 0.783 9.156 -10.019 1.00 0.00 C ATOM 1048 OE1 GLU A 133 1.661 9.836 -10.590 1.00 0.00 O ATOM 1049 OE2 GLU A 133 -0.437 9.415 -10.088 1.00 0.00 O ATOM 0 H GLU A 133 2.956 5.762 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 133 0.275 5.584 -8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 133 2.358 6.653 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 133 0.660 6.751 -10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.497 7.783 -8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 133 2.175 8.174 -8.725 1.00 0.00 H new ATOM 1056 N ASN A 134 1.606 3.823 -11.018 1.00 0.00 N ATOM 1057 CA ASN A 134 1.330 2.762 -11.980 1.00 0.00 C ATOM 1058 C ASN A 134 0.537 1.632 -11.331 1.00 0.00 C ATOM 1059 O ASN A 134 -0.398 1.096 -11.924 1.00 0.00 O ATOM 1060 CB ASN A 134 2.638 2.216 -12.558 1.00 0.00 C ATOM 1061 CG ASN A 134 2.428 1.473 -13.863 1.00 0.00 C ATOM 1062 OD1 ASN A 134 1.296 1.174 -14.244 1.00 0.00 O ATOM 1063 ND2 ASN A 134 3.521 1.170 -14.553 1.00 0.00 N ATOM 0 H ASN A 134 2.570 4.156 -11.022 1.00 0.00 H new ATOM 0 HA ASN A 134 0.732 3.184 -12.788 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.332 3.040 -12.720 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.101 1.547 -11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 134 3.443 0.669 -15.438 1.00 0.00 H new ATOM 0 HD22 ASN A 134 4.439 1.438 -14.198 1.00 0.00 H new ATOM 1070 N ALA A 135 0.919 1.275 -10.109 1.00 0.00 N ATOM 1071 CA ALA A 135 0.242 0.211 -9.378 1.00 0.00 C ATOM 1072 C ALA A 135 -1.132 0.664 -8.896 1.00 0.00 C ATOM 1073 O ALA A 135 -2.142 0.015 -9.174 1.00 0.00 O ATOM 1074 CB ALA A 135 1.092 -0.244 -8.201 1.00 0.00 C ATOM 0 H ALA A 135 1.693 1.707 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 135 0.101 -0.630 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 135 0.574 -1.039 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.049 -0.616 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.262 0.597 -7.529 1.00 0.00 H new ATOM 1080 N ILE A 136 -1.164 1.778 -8.174 1.00 0.00 N ATOM 1081 CA ILE A 136 -2.415 2.317 -7.655 1.00 0.00 C ATOM 1082 C ILE A 136 -3.533 2.199 -8.685 1.00 0.00 C ATOM 1083 O ILE A 136 -4.700 2.027 -8.332 1.00 0.00 O ATOM 1084 CB ILE A 136 -2.265 3.793 -7.244 1.00 0.00 C ATOM 1085 CG1 ILE A 136 -1.245 3.929 -6.112 1.00 0.00 C ATOM 1086 CG2 ILE A 136 -3.610 4.366 -6.824 1.00 0.00 C ATOM 1087 CD1 ILE A 136 -0.847 5.360 -5.824 1.00 0.00 C ATOM 0 H ILE A 136 -0.337 2.326 -7.935 1.00 0.00 H new ATOM 0 HA ILE A 136 -2.671 1.728 -6.774 1.00 0.00 H new ATOM 0 HB ILE A 136 -1.904 4.359 -8.103 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -1.659 3.486 -5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -0.353 3.357 -6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -3.487 5.410 -6.536 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -4.310 4.299 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -3.998 3.800 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -0.122 5.379 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.403 5.801 -6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -1.729 5.932 -5.537 1.00 0.00 H new ATOM 1099 N GLN A 137 -3.169 2.291 -9.960 1.00 0.00 N ATOM 1100 CA GLN A 137 -4.142 2.193 -11.041 1.00 0.00 C ATOM 1101 C GLN A 137 -4.407 0.736 -11.406 1.00 0.00 C ATOM 1102 O GLN A 137 -5.516 0.235 -11.229 1.00 0.00 O ATOM 1103 CB GLN A 137 -3.648 2.957 -12.271 1.00 0.00 C ATOM 1104 CG GLN A 137 -3.236 4.390 -11.973 1.00 0.00 C ATOM 1105 CD GLN A 137 -2.367 4.986 -13.062 1.00 0.00 C ATOM 1106 OE1 GLN A 137 -1.322 4.264 -13.448 1.00 0.00 O flip ATOM 1107 NE2 GLN A 137 -2.632 6.084 -13.552 1.00 0.00 N flip ATOM 0 H GLN A 137 -2.208 2.433 -10.269 1.00 0.00 H new ATOM 0 HA GLN A 137 -5.076 2.637 -10.696 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.799 2.426 -12.701 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -4.435 2.963 -13.025 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.129 5.003 -11.850 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -2.697 4.419 -11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -3.446 6.605 -13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -2.038 6.472 -14.285 1.00 0.00 H new ATOM 1116 N GLN A 138 -3.380 0.063 -11.915 1.00 0.00 N ATOM 1117 CA GLN A 138 -3.503 -1.337 -12.305 1.00 0.00 C ATOM 1118 C GLN A 138 -3.847 -2.209 -11.102 1.00 0.00 C ATOM 1119 O GLN A 138 -4.905 -2.836 -11.060 1.00 0.00 O ATOM 1120 CB GLN A 138 -2.205 -1.825 -12.949 1.00 0.00 C ATOM 1121 CG GLN A 138 -1.704 -0.923 -14.066 1.00 0.00 C ATOM 1122 CD GLN A 138 -0.857 -1.667 -15.081 1.00 0.00 C ATOM 1123 OE1 GLN A 138 -0.974 -2.883 -15.232 1.00 0.00 O ATOM 1124 NE2 GLN A 138 0.002 -0.938 -15.784 1.00 0.00 N ATOM 0 H GLN A 138 -2.454 0.464 -12.067 1.00 0.00 H new ATOM 0 HA GLN A 138 -4.312 -1.416 -13.031 1.00 0.00 H new ATOM 0 HB2 GLN A 138 -1.435 -1.901 -12.182 1.00 0.00 H new ATOM 0 HB3 GLN A 138 -2.361 -2.828 -13.345 1.00 0.00 H new ATOM 0 HG2 GLN A 138 -2.556 -0.470 -14.572 1.00 0.00 H new ATOM 0 HG3 GLN A 138 -1.119 -0.110 -13.637 1.00 0.00 H new ATOM 0 HE21 GLN A 138 0.066 0.068 -15.626 1.00 0.00 H new ATOM 0 HE22 GLN A 138 0.598 -1.384 -16.482 1.00 0.00 H new ATOM 1133 N MET A 139 -2.946 -2.243 -10.126 1.00 0.00 N ATOM 1134 CA MET A 139 -3.155 -3.038 -8.921 1.00 0.00 C ATOM 1135 C MET A 139 -4.531 -2.765 -8.322 1.00 0.00 C ATOM 1136 O MET A 139 -5.236 -3.688 -7.917 1.00 0.00 O ATOM 1137 CB MET A 139 -2.067 -2.736 -7.889 1.00 0.00 C ATOM 1138 CG MET A 139 -0.676 -3.160 -8.331 1.00 0.00 C ATOM 1139 SD MET A 139 -0.610 -4.884 -8.856 1.00 0.00 S ATOM 1140 CE MET A 139 -1.441 -5.687 -7.487 1.00 0.00 C ATOM 0 H MET A 139 -2.065 -1.730 -10.146 1.00 0.00 H new ATOM 0 HA MET A 139 -3.101 -4.091 -9.197 1.00 0.00 H new ATOM 0 HB2 MET A 139 -2.063 -1.666 -7.680 1.00 0.00 H new ATOM 0 HB3 MET A 139 -2.313 -3.242 -6.955 1.00 0.00 H new ATOM 0 HG2 MET A 139 -0.349 -2.521 -9.152 1.00 0.00 H new ATOM 0 HG3 MET A 139 0.024 -3.007 -7.510 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.165 -6.741 -7.462 1.00 0.00 H new ATOM 0 HE2 MET A 139 -1.144 -5.212 -6.552 1.00 0.00 H new ATOM 0 HE3 MET A 139 -2.520 -5.597 -7.613 1.00 0.00 H new ATOM 1150 N GLY A 140 -4.906 -1.491 -8.268 1.00 0.00 N ATOM 1151 CA GLY A 140 -6.196 -1.120 -7.715 1.00 0.00 C ATOM 1152 C GLY A 140 -7.337 -1.904 -8.331 1.00 0.00 C ATOM 1153 O GLY A 140 -7.678 -1.705 -9.497 1.00 0.00 O ATOM 0 H GLY A 140 -4.340 -0.709 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -6.187 -1.284 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -6.363 -0.055 -7.874 1.00 0.00 H new ATOM 1157 N GLY A 141 -7.929 -2.800 -7.547 1.00 0.00 N ATOM 1158 CA GLY A 141 -9.031 -3.605 -8.041 1.00 0.00 C ATOM 1159 C GLY A 141 -8.625 -5.040 -8.311 1.00 0.00 C ATOM 1160 O GLY A 141 -9.450 -5.950 -8.230 1.00 0.00 O ATOM 0 H GLY A 141 -7.665 -2.983 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -9.842 -3.591 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.418 -3.161 -8.958 1.00 0.00 H new ATOM 1164 N GLN A 142 -7.352 -5.243 -8.636 1.00 0.00 N ATOM 1165 CA GLN A 142 -6.841 -6.578 -8.921 1.00 0.00 C ATOM 1166 C GLN A 142 -7.126 -7.529 -7.764 1.00 0.00 C ATOM 1167 O GLN A 142 -7.716 -7.138 -6.757 1.00 0.00 O ATOM 1168 CB GLN A 142 -5.336 -6.523 -9.193 1.00 0.00 C ATOM 1169 CG GLN A 142 -4.990 -6.132 -10.621 1.00 0.00 C ATOM 1170 CD GLN A 142 -5.753 -6.944 -11.649 1.00 0.00 C ATOM 1171 OE1 GLN A 142 -5.711 -8.174 -11.642 1.00 0.00 O ATOM 1172 NE2 GLN A 142 -6.456 -6.257 -12.542 1.00 0.00 N ATOM 0 H GLN A 142 -6.657 -4.500 -8.708 1.00 0.00 H new ATOM 0 HA GLN A 142 -7.351 -6.953 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -4.877 -5.810 -8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -4.900 -7.498 -8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.206 -5.074 -10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -3.920 -6.264 -10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -6.463 -5.237 -12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -6.989 -6.749 -13.259 1.00 0.00 H new ATOM 1181 N TRP A 143 -6.705 -8.780 -7.916 1.00 0.00 N ATOM 1182 CA TRP A 143 -6.916 -9.788 -6.883 1.00 0.00 C ATOM 1183 C TRP A 143 -5.586 -10.280 -6.323 1.00 0.00 C ATOM 1184 O TRP A 143 -4.701 -10.696 -7.073 1.00 0.00 O ATOM 1185 CB TRP A 143 -7.714 -10.965 -7.446 1.00 0.00 C ATOM 1186 CG TRP A 143 -9.168 -10.658 -7.639 1.00 0.00 C ATOM 1187 CD1 TRP A 143 -9.699 -9.593 -8.309 1.00 0.00 C ATOM 1188 CD2 TRP A 143 -10.277 -11.423 -7.156 1.00 0.00 C ATOM 1189 NE1 TRP A 143 -11.071 -9.650 -8.271 1.00 0.00 N ATOM 1190 CE2 TRP A 143 -11.451 -10.764 -7.571 1.00 0.00 C ATOM 1191 CE3 TRP A 143 -10.393 -12.603 -6.415 1.00 0.00 C ATOM 1192 CZ2 TRP A 143 -12.721 -11.245 -7.267 1.00 0.00 C ATOM 1193 CZ3 TRP A 143 -11.655 -13.079 -6.115 1.00 0.00 C ATOM 1194 CH2 TRP A 143 -12.806 -12.402 -6.540 1.00 0.00 C ATOM 0 H TRP A 143 -6.216 -9.120 -8.744 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.482 -9.329 -6.072 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -7.283 -11.263 -8.402 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -7.616 -11.817 -6.773 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -9.125 -8.820 -8.797 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -11.704 -8.972 -8.695 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -9.512 -13.133 -6.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -13.609 -10.724 -7.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -11.756 -13.989 -5.543 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -13.778 -12.800 -6.289 1.00 0.00 H new ATOM 1205 N LEU A 144 -5.450 -10.232 -5.003 1.00 0.00 N ATOM 1206 CA LEU A 144 -4.227 -10.674 -4.343 1.00 0.00 C ATOM 1207 C LEU A 144 -4.534 -11.701 -3.257 1.00 0.00 C ATOM 1208 O LEU A 144 -5.408 -11.489 -2.418 1.00 0.00 O ATOM 1209 CB LEU A 144 -3.490 -9.479 -3.735 1.00 0.00 C ATOM 1210 CG LEU A 144 -2.185 -9.795 -3.004 1.00 0.00 C ATOM 1211 CD1 LEU A 144 -1.096 -10.173 -3.996 1.00 0.00 C ATOM 1212 CD2 LEU A 144 -1.748 -8.610 -2.156 1.00 0.00 C ATOM 0 H LEU A 144 -6.172 -9.891 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 144 -3.590 -11.143 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -3.273 -8.768 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -4.162 -8.980 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 144 -2.358 -10.645 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -0.174 -10.395 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -1.407 -11.052 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.925 -9.343 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.817 -8.853 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -1.593 -7.742 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -2.520 -8.385 -1.420 1.00 0.00 H new ATOM 1224 N GLY A 145 -3.808 -12.815 -3.280 1.00 0.00 N ATOM 1225 CA GLY A 145 -4.017 -13.857 -2.292 1.00 0.00 C ATOM 1226 C GLY A 145 -5.331 -14.586 -2.488 1.00 0.00 C ATOM 1227 O GLY A 145 -5.632 -15.541 -1.773 1.00 0.00 O ATOM 0 H GLY A 145 -3.079 -13.014 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -3.197 -14.573 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -3.994 -13.418 -1.295 1.00 0.00 H new ATOM 1231 N GLY A 146 -6.119 -14.134 -3.459 1.00 0.00 N ATOM 1232 CA GLY A 146 -7.400 -14.760 -3.727 1.00 0.00 C ATOM 1233 C GLY A 146 -8.559 -13.793 -3.588 1.00 0.00 C ATOM 1234 O GLY A 146 -9.675 -14.084 -4.019 1.00 0.00 O ATOM 0 H GLY A 146 -5.893 -13.345 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -7.395 -15.173 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -7.543 -15.595 -3.041 1.00 0.00 H new ATOM 1238 N ARG A 147 -8.295 -12.639 -2.984 1.00 0.00 N ATOM 1239 CA ARG A 147 -9.326 -11.627 -2.786 1.00 0.00 C ATOM 1240 C ARG A 147 -8.893 -10.288 -3.377 1.00 0.00 C ATOM 1241 O ARG A 147 -7.700 -10.004 -3.486 1.00 0.00 O ATOM 1242 CB ARG A 147 -9.632 -11.464 -1.296 1.00 0.00 C ATOM 1243 CG ARG A 147 -10.748 -12.370 -0.802 1.00 0.00 C ATOM 1244 CD ARG A 147 -11.235 -11.952 0.577 1.00 0.00 C ATOM 1245 NE ARG A 147 -12.534 -12.536 0.899 1.00 0.00 N ATOM 1246 CZ ARG A 147 -13.138 -12.384 2.072 1.00 0.00 C ATOM 1247 NH1 ARG A 147 -12.563 -11.668 3.029 1.00 0.00 N ATOM 1248 NH2 ARG A 147 -14.320 -12.946 2.290 1.00 0.00 N ATOM 0 H ARG A 147 -7.376 -12.382 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 147 -10.228 -11.958 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -8.728 -11.670 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -9.904 -10.427 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -11.579 -12.343 -1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -10.393 -13.400 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -10.505 -12.256 1.327 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -11.305 -10.865 0.623 1.00 0.00 H new ATOM 0 HE ARG A 147 -13.003 -13.091 0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -11.655 -11.233 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -13.029 -11.552 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -14.766 -13.496 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -14.782 -12.828 3.192 1.00 0.00 H new ATOM 1262 N GLN A 148 -9.870 -9.470 -3.756 1.00 0.00 N ATOM 1263 CA GLN A 148 -9.589 -8.162 -4.336 1.00 0.00 C ATOM 1264 C GLN A 148 -8.833 -7.280 -3.348 1.00 0.00 C ATOM 1265 O GLN A 148 -8.874 -7.509 -2.139 1.00 0.00 O ATOM 1266 CB GLN A 148 -10.890 -7.478 -4.758 1.00 0.00 C ATOM 1267 CG GLN A 148 -11.310 -7.795 -6.184 1.00 0.00 C ATOM 1268 CD GLN A 148 -12.271 -6.769 -6.751 1.00 0.00 C ATOM 1269 OE1 GLN A 148 -13.067 -6.177 -6.022 1.00 0.00 O ATOM 1270 NE2 GLN A 148 -12.202 -6.553 -8.060 1.00 0.00 N ATOM 0 H GLN A 148 -10.862 -9.690 -3.672 1.00 0.00 H new ATOM 0 HA GLN A 148 -8.963 -8.309 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 148 -11.687 -7.780 -4.078 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -10.774 -6.399 -4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -10.424 -7.846 -6.817 1.00 0.00 H new ATOM 0 HG3 GLN A 148 -11.778 -8.779 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 148 -11.527 -7.066 -8.627 1.00 0.00 H new ATOM 0 HE22 GLN A 148 -12.824 -5.874 -8.498 1.00 0.00 H new ATOM 1279 N ILE A 149 -8.144 -6.271 -3.871 1.00 0.00 N ATOM 1280 CA ILE A 149 -7.380 -5.354 -3.035 1.00 0.00 C ATOM 1281 C ILE A 149 -7.688 -3.902 -3.387 1.00 0.00 C ATOM 1282 O ILE A 149 -8.062 -3.594 -4.519 1.00 0.00 O ATOM 1283 CB ILE A 149 -5.865 -5.594 -3.174 1.00 0.00 C ATOM 1284 CG1 ILE A 149 -5.439 -5.464 -4.638 1.00 0.00 C ATOM 1285 CG2 ILE A 149 -5.494 -6.965 -2.628 1.00 0.00 C ATOM 1286 CD1 ILE A 149 -3.954 -5.235 -4.816 1.00 0.00 C ATOM 0 H ILE A 149 -8.099 -6.068 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 149 -7.677 -5.546 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 149 -5.337 -4.838 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -5.726 -6.369 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -5.983 -4.637 -5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -4.420 -7.120 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -5.768 -7.023 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -6.028 -7.735 -3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -3.723 -5.152 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -3.664 -4.314 -4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -3.403 -6.073 -4.389 1.00 0.00 H new ATOM 1298 N ARG A 150 -7.526 -3.015 -2.411 1.00 0.00 N ATOM 1299 CA ARG A 150 -7.786 -1.596 -2.618 1.00 0.00 C ATOM 1300 C ARG A 150 -6.490 -0.792 -2.565 1.00 0.00 C ATOM 1301 O ARG A 150 -5.825 -0.733 -1.530 1.00 0.00 O ATOM 1302 CB ARG A 150 -8.765 -1.075 -1.564 1.00 0.00 C ATOM 1303 CG ARG A 150 -8.280 -1.266 -0.136 1.00 0.00 C ATOM 1304 CD ARG A 150 -9.327 -0.818 0.872 1.00 0.00 C ATOM 1305 NE ARG A 150 -10.295 -1.873 1.161 1.00 0.00 N ATOM 1306 CZ ARG A 150 -11.404 -2.067 0.456 1.00 0.00 C ATOM 1307 NH1 ARG A 150 -11.684 -1.281 -0.574 1.00 0.00 N ATOM 1308 NH2 ARG A 150 -12.236 -3.048 0.781 1.00 0.00 N ATOM 0 H ARG A 150 -7.216 -3.254 -1.469 1.00 0.00 H new ATOM 0 HA ARG A 150 -8.229 -1.475 -3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 150 -8.944 -0.014 -1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 150 -9.721 -1.584 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 150 -8.039 -2.316 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 150 -7.361 -0.700 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 150 -8.834 -0.515 1.796 1.00 0.00 H new ATOM 0 HD3 ARG A 150 -9.849 0.058 0.487 1.00 0.00 H new ATOM 0 HE ARG A 150 -10.109 -2.495 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 150 -11.047 -0.525 -0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 150 -12.536 -1.432 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 150 -12.025 -3.655 1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 150 -13.087 -3.196 0.239 1.00 0.00 H new ATOM 1322 N THR A 151 -6.135 -0.175 -3.687 1.00 0.00 N ATOM 1323 CA THR A 151 -4.918 0.624 -3.769 1.00 0.00 C ATOM 1324 C THR A 151 -5.242 2.108 -3.892 1.00 0.00 C ATOM 1325 O THR A 151 -6.022 2.514 -4.753 1.00 0.00 O ATOM 1326 CB THR A 151 -4.047 0.199 -4.966 1.00 0.00 C ATOM 1327 OG1 THR A 151 -4.731 0.479 -6.193 1.00 0.00 O ATOM 1328 CG2 THR A 151 -3.713 -1.283 -4.893 1.00 0.00 C ATOM 0 H THR A 151 -6.673 -0.213 -4.553 1.00 0.00 H new ATOM 0 HA THR A 151 -4.364 0.452 -2.846 1.00 0.00 H new ATOM 0 HB THR A 151 -3.117 0.767 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 151 -5.406 1.173 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 151 -3.097 -1.560 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 151 -3.167 -1.488 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 151 -4.635 -1.865 -4.906 1.00 0.00 H new ATOM 1336 N ASN A 152 -4.637 2.915 -3.026 1.00 0.00 N ATOM 1337 CA ASN A 152 -4.861 4.356 -3.039 1.00 0.00 C ATOM 1338 C ASN A 152 -3.730 5.089 -2.324 1.00 0.00 C ATOM 1339 O ASN A 152 -2.902 4.471 -1.655 1.00 0.00 O ATOM 1340 CB ASN A 152 -6.199 4.690 -2.376 1.00 0.00 C ATOM 1341 CG ASN A 152 -7.353 4.668 -3.360 1.00 0.00 C ATOM 1342 OD1 ASN A 152 -7.344 5.386 -4.361 1.00 0.00 O ATOM 1343 ND2 ASN A 152 -8.354 3.842 -3.080 1.00 0.00 N ATOM 0 H ASN A 152 -3.988 2.595 -2.307 1.00 0.00 H new ATOM 0 HA ASN A 152 -4.884 4.686 -4.078 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -6.393 3.976 -1.576 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -6.137 5.676 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -9.158 3.784 -3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -8.319 3.265 -2.239 1.00 0.00 H new ATOM 1350 N TRP A 153 -3.701 6.408 -2.471 1.00 0.00 N ATOM 1351 CA TRP A 153 -2.672 7.225 -1.840 1.00 0.00 C ATOM 1352 C TRP A 153 -2.732 7.099 -0.321 1.00 0.00 C ATOM 1353 O TRP A 153 -3.813 7.060 0.265 1.00 0.00 O ATOM 1354 CB TRP A 153 -2.833 8.691 -2.248 1.00 0.00 C ATOM 1355 CG TRP A 153 -2.292 8.989 -3.614 1.00 0.00 C ATOM 1356 CD1 TRP A 153 -2.951 9.602 -4.641 1.00 0.00 C ATOM 1357 CD2 TRP A 153 -0.980 8.687 -4.101 1.00 0.00 C ATOM 1358 NE1 TRP A 153 -2.128 9.698 -5.737 1.00 0.00 N ATOM 1359 CE2 TRP A 153 -0.913 9.145 -5.431 1.00 0.00 C ATOM 1360 CE3 TRP A 153 0.146 8.075 -3.542 1.00 0.00 C ATOM 1361 CZ2 TRP A 153 0.234 9.008 -6.209 1.00 0.00 C ATOM 1362 CZ3 TRP A 153 1.283 7.940 -4.315 1.00 0.00 C ATOM 1363 CH2 TRP A 153 1.321 8.406 -5.636 1.00 0.00 C ATOM 0 H TRP A 153 -4.379 6.935 -3.022 1.00 0.00 H new ATOM 0 HA TRP A 153 -1.700 6.865 -2.178 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -3.890 8.955 -2.218 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -2.326 9.322 -1.518 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -3.969 9.959 -4.598 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -2.381 10.114 -6.633 1.00 0.00 H new ATOM 0 HE3 TRP A 153 0.127 7.714 -2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 0.264 9.364 -7.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 2.158 7.467 -3.894 1.00 0.00 H new ATOM 0 HH2 TRP A 153 2.226 8.288 -6.213 1.00 0.00 H new