USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0197) USER MOD Single : A 20 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.6) USER MOD Single : A 22 THR OG1 : rot 53:sc= -0.118 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.664 USER MOD Single : A 26 SER OG : rot 71:sc= 0.0673 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.08 X(o=-0.08,f=-0.086) USER MOD Single : A 75 MET CE :methyl 142:sc= -1.73! (180deg=-4.95!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 5.081 12.736 -4.349 1.00 0.00 N ATOM 145 CA ILE A 14 3.837 11.984 -4.471 1.00 0.00 C ATOM 146 C ILE A 14 3.753 10.887 -3.415 1.00 0.00 C ATOM 147 O ILE A 14 4.561 9.958 -3.401 1.00 0.00 O ATOM 148 CB ILE A 14 3.698 11.349 -5.867 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.582 12.437 -6.937 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.489 10.426 -5.910 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.226 13.106 -6.974 1.00 0.00 C ATOM 0 HA ILE A 14 3.023 12.693 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 14 4.591 10.758 -6.072 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.346 13.193 -6.759 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.789 11.999 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.403 9.984 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.609 9.635 -5.170 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.587 10.997 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.216 13.866 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.458 12.361 -7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.025 13.574 -6.010 1.00 0.00 H new ATOM 163 N THR A 15 2.767 11.000 -2.530 1.00 0.00 N ATOM 164 CA THR A 15 2.575 10.018 -1.470 1.00 0.00 C ATOM 165 C THR A 15 1.363 9.137 -1.749 1.00 0.00 C ATOM 166 O THR A 15 0.415 9.560 -2.413 1.00 0.00 O ATOM 167 CB THR A 15 2.397 10.699 -0.099 1.00 0.00 C ATOM 168 OG1 THR A 15 3.421 11.680 0.097 1.00 0.00 O ATOM 169 CG2 THR A 15 2.447 9.674 1.024 1.00 0.00 C ATOM 0 H THR A 15 2.089 11.762 -2.527 1.00 0.00 H new ATOM 0 HA THR A 15 3.472 9.399 -1.446 1.00 0.00 H new ATOM 0 HB THR A 15 1.422 11.185 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.300 12.109 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.319 10.178 1.982 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.648 8.945 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.410 9.163 1.008 1.00 0.00 H new ATOM 177 N LEU A 16 1.398 7.912 -1.238 1.00 0.00 N ATOM 178 CA LEU A 16 0.300 6.970 -1.432 1.00 0.00 C ATOM 179 C LEU A 16 0.001 6.211 -0.143 1.00 0.00 C ATOM 180 O LEU A 16 0.878 5.560 0.425 1.00 0.00 O ATOM 181 CB LEU A 16 0.639 5.985 -2.551 1.00 0.00 C ATOM 182 CG LEU A 16 0.494 6.514 -3.978 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.939 5.465 -4.985 1.00 0.00 C ATOM 184 CD2 LEU A 16 -0.943 6.937 -4.247 1.00 0.00 C ATOM 0 H LEU A 16 2.174 7.547 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.588 7.537 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.666 5.648 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.001 5.109 -2.443 1.00 0.00 H new ATOM 0 HG LEU A 16 1.136 7.388 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.828 5.860 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.984 5.210 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.324 4.572 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.027 7.311 -5.267 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.605 6.080 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.228 7.723 -3.548 1.00 0.00 H new ATOM 196 N LYS A 17 -1.245 6.296 0.311 1.00 0.00 N ATOM 197 CA LYS A 17 -1.663 5.615 1.531 1.00 0.00 C ATOM 198 C LYS A 17 -2.084 4.179 1.235 1.00 0.00 C ATOM 199 O LYS A 17 -2.794 3.917 0.264 1.00 0.00 O ATOM 200 CB LYS A 17 -2.819 6.370 2.191 1.00 0.00 C ATOM 201 CG LYS A 17 -3.158 5.867 3.583 1.00 0.00 C ATOM 202 CD LYS A 17 -2.315 6.553 4.645 1.00 0.00 C ATOM 203 CE LYS A 17 -2.793 6.205 6.046 1.00 0.00 C ATOM 204 NZ LYS A 17 -4.046 6.928 6.401 1.00 0.00 N ATOM 0 H LYS A 17 -1.983 6.830 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.814 5.593 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.565 7.428 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.703 6.288 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.214 6.042 3.787 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.998 4.790 3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.272 6.257 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.357 7.633 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.962 5.130 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.014 6.453 6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.292 6.730 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.903 7.951 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.818 6.609 5.782 1.00 0.00 H new ATOM 218 N VAL A 18 -1.642 3.251 2.078 1.00 0.00 N ATOM 219 CA VAL A 18 -1.974 1.842 1.908 1.00 0.00 C ATOM 220 C VAL A 18 -2.518 1.246 3.201 1.00 0.00 C ATOM 221 O VAL A 18 -1.802 1.140 4.197 1.00 0.00 O ATOM 222 CB VAL A 18 -0.749 1.027 1.455 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.174 -0.347 0.961 1.00 0.00 C ATOM 224 CG2 VAL A 18 0.020 1.775 0.377 1.00 0.00 C ATOM 0 H VAL A 18 -1.053 3.450 2.886 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.741 1.789 1.136 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.089 0.891 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.295 -0.908 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.677 -0.883 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.855 -0.236 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.883 1.184 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.629 1.944 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.359 2.733 0.770 1.00 0.00 H new ATOM 234 N ASP A 19 -3.788 0.858 3.179 1.00 0.00 N ATOM 235 CA ASP A 19 -4.429 0.270 4.350 1.00 0.00 C ATOM 236 C ASP A 19 -4.669 -1.223 4.146 1.00 0.00 C ATOM 237 O ASP A 19 -4.277 -1.791 3.128 1.00 0.00 O ATOM 238 CB ASP A 19 -5.753 0.977 4.642 1.00 0.00 C ATOM 239 CG ASP A 19 -6.104 0.964 6.117 1.00 0.00 C ATOM 240 OD1 ASP A 19 -5.257 1.386 6.932 1.00 0.00 O ATOM 241 OD2 ASP A 19 -7.225 0.532 6.456 1.00 0.00 O ATOM 0 H ASP A 19 -4.395 0.940 2.363 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.762 0.399 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.695 2.009 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.551 0.495 4.077 1.00 0.00 H new ATOM 246 N ASN A 20 -5.315 -1.852 5.123 1.00 0.00 N ATOM 247 CA ASN A 20 -5.606 -3.279 5.051 1.00 0.00 C ATOM 248 C ASN A 20 -4.328 -4.084 4.833 1.00 0.00 C ATOM 249 O ASN A 20 -4.297 -5.012 4.024 1.00 0.00 O ATOM 250 CB ASN A 20 -6.599 -3.562 3.922 1.00 0.00 C ATOM 251 CG ASN A 20 -8.040 -3.494 4.390 1.00 0.00 C ATOM 252 OD1 ASN A 20 -8.332 -2.965 5.463 1.00 0.00 O ATOM 253 ND2 ASN A 20 -8.950 -4.029 3.584 1.00 0.00 N ATOM 0 H ASN A 20 -5.647 -1.396 5.973 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.049 -3.583 6.000 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.446 -2.842 3.118 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.401 -4.550 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.936 -4.012 3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.663 -4.457 2.704 1.00 0.00 H new ATOM 260 N LEU A 21 -3.277 -3.724 5.561 1.00 0.00 N ATOM 261 CA LEU A 21 -1.996 -4.413 5.449 1.00 0.00 C ATOM 262 C LEU A 21 -1.745 -5.297 6.666 1.00 0.00 C ATOM 263 O LEU A 21 -1.348 -4.815 7.727 1.00 0.00 O ATOM 264 CB LEU A 21 -0.861 -3.399 5.298 1.00 0.00 C ATOM 265 CG LEU A 21 -0.839 -2.605 3.991 1.00 0.00 C ATOM 266 CD1 LEU A 21 0.207 -1.503 4.054 1.00 0.00 C ATOM 267 CD2 LEU A 21 -0.574 -3.528 2.811 1.00 0.00 C ATOM 0 H LEU A 21 -3.286 -2.959 6.235 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.029 -5.047 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.918 -2.694 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.087 -3.928 5.394 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.816 -2.143 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.208 -0.949 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.027 -0.826 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.191 -1.944 4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.562 -2.946 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.390 -4.019 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.360 -4.281 2.754 1.00 0.00 H new ATOM 279 N THR A 22 -1.978 -6.596 6.505 1.00 0.00 N ATOM 280 CA THR A 22 -1.776 -7.549 7.589 1.00 0.00 C ATOM 281 C THR A 22 -0.316 -7.583 8.027 1.00 0.00 C ATOM 282 O THR A 22 0.582 -7.246 7.254 1.00 0.00 O ATOM 283 CB THR A 22 -2.210 -8.968 7.179 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.839 -9.908 8.194 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.574 -9.367 5.855 1.00 0.00 C ATOM 0 H THR A 22 -2.307 -7.012 5.634 1.00 0.00 H new ATOM 0 HA THR A 22 -2.395 -7.215 8.422 1.00 0.00 H new ATOM 0 HB THR A 22 -3.294 -8.972 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.180 -9.605 9.061 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.895 -10.373 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.882 -8.668 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.489 -9.346 5.952 1.00 0.00 H new ATOM 293 N TYR A 23 -0.085 -7.992 9.269 1.00 0.00 N ATOM 294 CA TYR A 23 1.267 -8.068 9.810 1.00 0.00 C ATOM 295 C TYR A 23 2.247 -8.576 8.757 1.00 0.00 C ATOM 296 O TYR A 23 3.334 -8.023 8.586 1.00 0.00 O ATOM 297 CB TYR A 23 1.298 -8.984 11.035 1.00 0.00 C ATOM 298 CG TYR A 23 0.656 -10.332 10.799 1.00 0.00 C ATOM 299 CD1 TYR A 23 -0.718 -10.502 10.926 1.00 0.00 C ATOM 300 CD2 TYR A 23 1.422 -11.437 10.448 1.00 0.00 C ATOM 301 CE1 TYR A 23 -1.308 -11.732 10.712 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.840 -12.671 10.232 1.00 0.00 C ATOM 303 CZ TYR A 23 -0.526 -12.813 10.365 1.00 0.00 C ATOM 304 OH TYR A 23 -1.111 -14.040 10.150 1.00 0.00 O ATOM 0 H TYR A 23 -0.816 -8.276 9.921 1.00 0.00 H new ATOM 0 HA TYR A 23 1.569 -7.064 10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.334 -9.133 11.341 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.789 -8.488 11.862 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.334 -9.658 11.197 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.491 -11.329 10.342 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -2.377 -11.847 10.816 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.451 -13.520 9.961 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.421 -14.694 9.912 1.00 0.00 H new ATOM 314 N ARG A 24 1.854 -9.632 8.052 1.00 0.00 N ATOM 315 CA ARG A 24 2.697 -10.215 7.015 1.00 0.00 C ATOM 316 C ARG A 24 3.282 -9.130 6.116 1.00 0.00 C ATOM 317 O ARG A 24 4.470 -9.149 5.793 1.00 0.00 O ATOM 318 CB ARG A 24 1.894 -11.211 6.176 1.00 0.00 C ATOM 319 CG ARG A 24 1.727 -12.569 6.837 1.00 0.00 C ATOM 320 CD ARG A 24 2.904 -13.483 6.536 1.00 0.00 C ATOM 321 NE ARG A 24 3.001 -14.584 7.491 1.00 0.00 N ATOM 322 CZ ARG A 24 3.812 -15.624 7.335 1.00 0.00 C ATOM 323 NH1 ARG A 24 4.594 -15.704 6.267 1.00 0.00 N ATOM 324 NH2 ARG A 24 3.844 -16.586 8.249 1.00 0.00 N ATOM 0 H ARG A 24 0.957 -10.101 8.180 1.00 0.00 H new ATOM 0 HA ARG A 24 3.519 -10.740 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.909 -10.791 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.388 -11.343 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.631 -12.441 7.915 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.805 -13.034 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.802 -13.885 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.827 -12.904 6.556 1.00 0.00 H new ATOM 0 HE ARG A 24 2.413 -14.552 8.324 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.573 -14.966 5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.216 -16.504 6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.245 -16.527 9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.467 -17.384 8.128 1.00 0.00 H new ATOM 338 N THR A 25 2.439 -8.185 5.713 1.00 0.00 N ATOM 339 CA THR A 25 2.871 -7.093 4.849 1.00 0.00 C ATOM 340 C THR A 25 4.283 -6.639 5.202 1.00 0.00 C ATOM 341 O THR A 25 4.598 -6.409 6.369 1.00 0.00 O ATOM 342 CB THR A 25 1.917 -5.887 4.948 1.00 0.00 C ATOM 343 OG1 THR A 25 0.574 -6.302 4.676 1.00 0.00 O ATOM 344 CG2 THR A 25 2.324 -4.794 3.971 1.00 0.00 C ATOM 0 H THR A 25 1.453 -8.154 5.971 1.00 0.00 H new ATOM 0 HA THR A 25 2.859 -7.474 3.828 1.00 0.00 H new ATOM 0 HB THR A 25 1.975 -5.487 5.960 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.216 -6.781 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.636 -3.953 4.059 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.336 -4.460 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.291 -5.185 2.954 1.00 0.00 H new ATOM 352 N SER A 26 5.130 -6.512 4.185 1.00 0.00 N ATOM 353 CA SER A 26 6.510 -6.089 4.388 1.00 0.00 C ATOM 354 C SER A 26 6.966 -5.164 3.264 1.00 0.00 C ATOM 355 O SER A 26 6.387 -5.134 2.177 1.00 0.00 O ATOM 356 CB SER A 26 7.433 -7.307 4.468 1.00 0.00 C ATOM 357 OG SER A 26 7.427 -7.867 5.769 1.00 0.00 O ATOM 0 H SER A 26 4.884 -6.696 3.212 1.00 0.00 H new ATOM 0 HA SER A 26 6.561 -5.541 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.114 -8.057 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.448 -7.016 4.199 1.00 0.00 H new ATOM 0 HG SER A 26 6.566 -8.305 5.932 1.00 0.00 H new ATOM 363 N PRO A 27 8.029 -4.391 3.529 1.00 0.00 N ATOM 364 CA PRO A 27 8.588 -3.451 2.552 1.00 0.00 C ATOM 365 C PRO A 27 8.724 -4.069 1.165 1.00 0.00 C ATOM 366 O PRO A 27 8.349 -3.458 0.164 1.00 0.00 O ATOM 367 CB PRO A 27 9.967 -3.119 3.128 1.00 0.00 C ATOM 368 CG PRO A 27 9.819 -3.305 4.598 1.00 0.00 C ATOM 369 CD PRO A 27 8.769 -4.375 4.802 1.00 0.00 C ATOM 0 HA PRO A 27 7.948 -2.579 2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.735 -3.777 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.262 -2.098 2.886 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.766 -3.603 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.519 -2.373 5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.221 -5.344 5.013 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.115 -4.139 5.641 1.00 0.00 H new ATOM 377 N ASP A 28 9.262 -5.282 1.113 1.00 0.00 N ATOM 378 CA ASP A 28 9.446 -5.984 -0.152 1.00 0.00 C ATOM 379 C ASP A 28 8.136 -6.053 -0.930 1.00 0.00 C ATOM 380 O ASP A 28 8.080 -5.689 -2.105 1.00 0.00 O ATOM 381 CB ASP A 28 9.982 -7.394 0.096 1.00 0.00 C ATOM 382 CG ASP A 28 11.436 -7.394 0.526 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.258 -6.754 -0.163 1.00 0.00 O ATOM 384 OD2 ASP A 28 11.752 -8.034 1.551 1.00 0.00 O ATOM 0 H ASP A 28 9.579 -5.800 1.933 1.00 0.00 H new ATOM 0 HA ASP A 28 10.171 -5.428 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.379 -7.879 0.864 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.875 -7.985 -0.813 1.00 0.00 H new ATOM 389 N SER A 29 7.084 -6.525 -0.268 1.00 0.00 N ATOM 390 CA SER A 29 5.775 -6.647 -0.899 1.00 0.00 C ATOM 391 C SER A 29 5.204 -5.273 -1.235 1.00 0.00 C ATOM 392 O SER A 29 5.014 -4.935 -2.405 1.00 0.00 O ATOM 393 CB SER A 29 4.812 -7.402 0.019 1.00 0.00 C ATOM 394 OG SER A 29 5.180 -8.765 0.135 1.00 0.00 O ATOM 0 H SER A 29 7.113 -6.829 0.705 1.00 0.00 H new ATOM 0 HA SER A 29 5.896 -7.207 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.807 -6.938 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.798 -7.328 -0.373 1.00 0.00 H new ATOM 0 HG SER A 29 4.550 -9.225 0.728 1.00 0.00 H new ATOM 400 N LEU A 30 4.931 -4.484 -0.202 1.00 0.00 N ATOM 401 CA LEU A 30 4.381 -3.145 -0.386 1.00 0.00 C ATOM 402 C LEU A 30 5.074 -2.425 -1.539 1.00 0.00 C ATOM 403 O LEU A 30 4.490 -1.550 -2.177 1.00 0.00 O ATOM 404 CB LEU A 30 4.528 -2.331 0.900 1.00 0.00 C ATOM 405 CG LEU A 30 3.763 -1.008 0.948 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.281 -1.238 0.691 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.972 -0.318 2.289 1.00 0.00 C ATOM 0 H LEU A 30 5.081 -4.748 0.772 1.00 0.00 H new ATOM 0 HA LEU A 30 3.323 -3.244 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.200 -2.948 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.586 -2.121 1.055 1.00 0.00 H new ATOM 0 HG LEU A 30 4.151 -0.358 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.753 -0.285 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.148 -1.688 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.879 -1.906 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.420 0.622 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.612 -0.963 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.034 -0.118 2.434 1.00 0.00 H new ATOM 419 N ARG A 31 6.321 -2.802 -1.801 1.00 0.00 N ATOM 420 CA ARG A 31 7.093 -2.193 -2.877 1.00 0.00 C ATOM 421 C ARG A 31 6.816 -2.891 -4.206 1.00 0.00 C ATOM 422 O ARG A 31 6.663 -2.240 -5.240 1.00 0.00 O ATOM 423 CB ARG A 31 8.588 -2.254 -2.559 1.00 0.00 C ATOM 424 CG ARG A 31 9.416 -1.238 -3.329 1.00 0.00 C ATOM 425 CD ARG A 31 9.843 -1.779 -4.684 1.00 0.00 C ATOM 426 NE ARG A 31 11.096 -2.526 -4.605 1.00 0.00 N ATOM 427 CZ ARG A 31 12.258 -1.978 -4.268 1.00 0.00 C ATOM 428 NH1 ARG A 31 12.327 -0.686 -3.981 1.00 0.00 N ATOM 429 NH2 ARG A 31 13.355 -2.723 -4.218 1.00 0.00 N ATOM 0 H ARG A 31 6.818 -3.526 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 31 6.789 -1.150 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.731 -2.092 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.958 -3.255 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.837 -0.325 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.299 -0.971 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.060 -2.426 -5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.958 -0.952 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 31 11.077 -3.523 -4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.486 -0.110 -4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.221 -0.268 -3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.306 -3.718 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.247 -2.301 -3.959 1.00 0.00 H new ATOM 443 N ARG A 32 6.755 -4.218 -4.171 1.00 0.00 N ATOM 444 CA ARG A 32 6.499 -5.003 -5.372 1.00 0.00 C ATOM 445 C ARG A 32 5.067 -4.801 -5.859 1.00 0.00 C ATOM 446 O ARG A 32 4.693 -5.273 -6.932 1.00 0.00 O ATOM 447 CB ARG A 32 6.752 -6.488 -5.100 1.00 0.00 C ATOM 448 CG ARG A 32 8.184 -6.920 -5.367 1.00 0.00 C ATOM 449 CD ARG A 32 8.386 -8.396 -5.062 1.00 0.00 C ATOM 450 NE ARG A 32 7.779 -9.253 -6.076 1.00 0.00 N ATOM 451 CZ ARG A 32 8.233 -9.355 -7.320 1.00 0.00 C ATOM 452 NH1 ARG A 32 9.294 -8.657 -7.701 1.00 0.00 N ATOM 453 NH2 ARG A 32 7.626 -10.157 -8.186 1.00 0.00 N ATOM 0 H ARG A 32 6.879 -4.772 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 32 7.181 -4.662 -6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.503 -6.706 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.081 -7.082 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.436 -6.725 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.864 -6.325 -4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.453 -8.610 -4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.956 -8.627 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 32 6.961 -9.804 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.763 -8.040 -7.038 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.641 -8.737 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.810 -10.696 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.976 -10.234 -9.141 1.00 0.00 H new ATOM 467 N VAL A 33 4.270 -4.098 -5.061 1.00 0.00 N ATOM 468 CA VAL A 33 2.880 -3.832 -5.410 1.00 0.00 C ATOM 469 C VAL A 33 2.776 -2.724 -6.452 1.00 0.00 C ATOM 470 O VAL A 33 2.065 -2.857 -7.448 1.00 0.00 O ATOM 471 CB VAL A 33 2.055 -3.436 -4.171 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.623 -3.108 -4.565 1.00 0.00 C ATOM 473 CG2 VAL A 33 2.090 -4.545 -3.131 1.00 0.00 C ATOM 0 H VAL A 33 4.564 -3.702 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 33 2.477 -4.756 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 33 2.499 -2.543 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.056 -2.831 -3.677 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.621 -2.277 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.165 -3.981 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.502 -4.248 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.672 -5.457 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.121 -4.726 -2.827 1.00 0.00 H new ATOM 483 N PHE A 34 3.492 -1.629 -6.216 1.00 0.00 N ATOM 484 CA PHE A 34 3.481 -0.496 -7.133 1.00 0.00 C ATOM 485 C PHE A 34 4.705 -0.522 -8.044 1.00 0.00 C ATOM 486 O PHE A 34 5.049 0.482 -8.667 1.00 0.00 O ATOM 487 CB PHE A 34 3.440 0.819 -6.353 1.00 0.00 C ATOM 488 CG PHE A 34 2.428 0.827 -5.243 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.102 0.514 -5.495 1.00 0.00 C ATOM 490 CD2 PHE A 34 2.803 1.147 -3.948 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.168 0.520 -4.476 1.00 0.00 C ATOM 492 CE2 PHE A 34 1.874 1.154 -2.925 1.00 0.00 C ATOM 493 CZ PHE A 34 0.555 0.841 -3.189 1.00 0.00 C ATOM 0 H PHE A 34 4.087 -1.503 -5.397 1.00 0.00 H new ATOM 0 HA PHE A 34 2.587 -0.571 -7.752 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.427 1.015 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.218 1.634 -7.042 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.795 0.262 -6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.833 1.394 -3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.863 0.274 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.179 1.404 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.173 0.847 -2.391 1.00 0.00 H new ATOM 503 N GLU A 35 5.357 -1.678 -8.116 1.00 0.00 N ATOM 504 CA GLU A 35 6.543 -1.835 -8.950 1.00 0.00 C ATOM 505 C GLU A 35 6.156 -2.072 -10.407 1.00 0.00 C ATOM 506 O GLU A 35 6.712 -1.456 -11.317 1.00 0.00 O ATOM 507 CB GLU A 35 7.400 -2.996 -8.443 1.00 0.00 C ATOM 508 CG GLU A 35 8.441 -2.582 -7.416 1.00 0.00 C ATOM 509 CD GLU A 35 9.762 -2.191 -8.049 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.822 -1.116 -8.681 1.00 0.00 O ATOM 511 OE2 GLU A 35 10.736 -2.961 -7.912 1.00 0.00 O ATOM 0 H GLU A 35 5.084 -2.519 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 35 7.122 -0.913 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.749 -3.752 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.903 -3.462 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.059 -1.743 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.605 -3.404 -6.719 1.00 0.00 H new ATOM 518 N LYS A 36 5.201 -2.970 -10.621 1.00 0.00 N ATOM 519 CA LYS A 36 4.738 -3.289 -11.966 1.00 0.00 C ATOM 520 C LYS A 36 4.148 -2.057 -12.646 1.00 0.00 C ATOM 521 O LYS A 36 4.003 -2.021 -13.868 1.00 0.00 O ATOM 522 CB LYS A 36 3.692 -4.406 -11.916 1.00 0.00 C ATOM 523 CG LYS A 36 3.589 -5.201 -13.206 1.00 0.00 C ATOM 524 CD LYS A 36 2.189 -5.755 -13.409 1.00 0.00 C ATOM 525 CE LYS A 36 1.791 -6.694 -12.279 1.00 0.00 C ATOM 526 NZ LYS A 36 2.179 -8.102 -12.567 1.00 0.00 N ATOM 0 H LYS A 36 4.732 -3.490 -9.879 1.00 0.00 H new ATOM 0 HA LYS A 36 5.596 -3.627 -12.547 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.937 -5.085 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.719 -3.971 -11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.855 -4.564 -14.049 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.307 -6.021 -13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.476 -4.932 -13.468 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.141 -6.287 -14.359 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.264 -6.369 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.714 -6.639 -12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.891 -8.711 -11.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.707 -8.421 -13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.210 -8.160 -12.691 1.00 0.00 H new ATOM 540 N TYR A 37 3.813 -1.051 -11.847 1.00 0.00 N ATOM 541 CA TYR A 37 3.239 0.183 -12.372 1.00 0.00 C ATOM 542 C TYR A 37 4.279 1.298 -12.403 1.00 0.00 C ATOM 543 O TYR A 37 4.550 1.881 -13.452 1.00 0.00 O ATOM 544 CB TYR A 37 2.039 0.613 -11.526 1.00 0.00 C ATOM 545 CG TYR A 37 0.950 -0.433 -11.445 1.00 0.00 C ATOM 546 CD1 TYR A 37 -0.039 -0.511 -12.417 1.00 0.00 C ATOM 547 CD2 TYR A 37 0.910 -1.343 -10.395 1.00 0.00 C ATOM 548 CE1 TYR A 37 -1.037 -1.464 -12.346 1.00 0.00 C ATOM 549 CE2 TYR A 37 -0.083 -2.300 -10.317 1.00 0.00 C ATOM 550 CZ TYR A 37 -1.054 -2.356 -11.295 1.00 0.00 C ATOM 551 OH TYR A 37 -2.046 -3.308 -11.222 1.00 0.00 O ATOM 0 H TYR A 37 3.929 -1.065 -10.834 1.00 0.00 H new ATOM 0 HA TYR A 37 2.906 -0.007 -13.392 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.381 0.848 -10.518 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.621 1.529 -11.943 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.028 0.185 -13.243 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.668 -1.301 -9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.799 -1.510 -13.110 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.099 -3.000 -9.495 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.913 -3.858 -10.422 1.00 0.00 H new ATOM 561 N GLY A 38 4.861 1.588 -11.243 1.00 0.00 N ATOM 562 CA GLY A 38 5.866 2.632 -11.158 1.00 0.00 C ATOM 563 C GLY A 38 7.067 2.214 -10.333 1.00 0.00 C ATOM 564 O GLY A 38 7.128 1.088 -9.840 1.00 0.00 O ATOM 0 H GLY A 38 4.655 1.119 -10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.194 2.899 -12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.421 3.526 -10.720 1.00 0.00 H new ATOM 568 N ARG A 39 8.025 3.123 -10.184 1.00 0.00 N ATOM 569 CA ARG A 39 9.232 2.841 -9.416 1.00 0.00 C ATOM 570 C ARG A 39 9.113 3.390 -7.997 1.00 0.00 C ATOM 571 O ARG A 39 9.417 4.556 -7.743 1.00 0.00 O ATOM 572 CB ARG A 39 10.455 3.446 -10.107 1.00 0.00 C ATOM 573 CG ARG A 39 10.968 2.616 -11.273 1.00 0.00 C ATOM 574 CD ARG A 39 10.247 2.966 -12.565 1.00 0.00 C ATOM 575 NE ARG A 39 10.571 4.314 -13.025 1.00 0.00 N ATOM 576 CZ ARG A 39 11.681 4.617 -13.690 1.00 0.00 C ATOM 577 NH1 ARG A 39 12.567 3.672 -13.972 1.00 0.00 N ATOM 578 NH2 ARG A 39 11.905 5.867 -14.075 1.00 0.00 N ATOM 0 H ARG A 39 7.989 4.060 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 39 9.353 1.759 -9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.203 4.444 -10.465 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.255 3.563 -9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.038 2.782 -11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.832 1.557 -11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.516 2.245 -13.337 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.171 2.884 -12.413 1.00 0.00 H new ATOM 0 HE ARG A 39 9.909 5.064 -12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.397 2.710 -13.678 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.418 3.907 -14.483 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.225 6.596 -13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.757 6.098 -14.585 1.00 0.00 H new ATOM 592 N VAL A 40 8.670 2.541 -7.075 1.00 0.00 N ATOM 593 CA VAL A 40 8.511 2.941 -5.681 1.00 0.00 C ATOM 594 C VAL A 40 9.740 3.692 -5.182 1.00 0.00 C ATOM 595 O VAL A 40 10.815 3.114 -5.030 1.00 0.00 O ATOM 596 CB VAL A 40 8.264 1.722 -4.773 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.275 2.135 -3.309 1.00 0.00 C ATOM 598 CG2 VAL A 40 6.950 1.046 -5.135 1.00 0.00 C ATOM 0 H VAL A 40 8.415 1.572 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 40 7.644 3.600 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 40 9.070 1.005 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.099 1.260 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.243 2.570 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.491 2.871 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.791 0.187 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.130 1.753 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.986 0.713 -6.172 1.00 0.00 H new ATOM 608 N GLY A 41 9.573 4.986 -4.927 1.00 0.00 N ATOM 609 CA GLY A 41 10.677 5.796 -4.446 1.00 0.00 C ATOM 610 C GLY A 41 11.116 5.407 -3.049 1.00 0.00 C ATOM 611 O GLY A 41 12.264 5.014 -2.839 1.00 0.00 O ATOM 0 H GLY A 41 8.693 5.488 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.521 5.697 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.383 6.846 -4.452 1.00 0.00 H new ATOM 615 N ASP A 42 10.203 5.518 -2.091 1.00 0.00 N ATOM 616 CA ASP A 42 10.502 5.175 -0.705 1.00 0.00 C ATOM 617 C ASP A 42 9.334 4.434 -0.064 1.00 0.00 C ATOM 618 O ASP A 42 8.180 4.847 -0.186 1.00 0.00 O ATOM 619 CB ASP A 42 10.823 6.438 0.097 1.00 0.00 C ATOM 620 CG ASP A 42 11.622 7.446 -0.705 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.759 7.119 -1.106 1.00 0.00 O ATOM 622 OD2 ASP A 42 11.111 8.562 -0.933 1.00 0.00 O ATOM 0 H ASP A 42 9.249 5.843 -2.248 1.00 0.00 H new ATOM 0 HA ASP A 42 11.372 4.518 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.893 6.899 0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.382 6.164 0.992 1.00 0.00 H new ATOM 627 N VAL A 43 9.640 3.335 0.618 1.00 0.00 N ATOM 628 CA VAL A 43 8.615 2.535 1.279 1.00 0.00 C ATOM 629 C VAL A 43 8.662 2.721 2.791 1.00 0.00 C ATOM 630 O VAL A 43 9.644 2.364 3.441 1.00 0.00 O ATOM 631 CB VAL A 43 8.775 1.038 0.952 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.521 0.270 1.340 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.093 0.846 -0.523 1.00 0.00 C ATOM 0 H VAL A 43 10.589 2.978 0.727 1.00 0.00 H new ATOM 0 HA VAL A 43 7.652 2.881 0.903 1.00 0.00 H new ATOM 0 HB VAL A 43 9.608 0.644 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.652 -0.785 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.343 0.381 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.668 0.663 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.203 -0.217 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.283 1.255 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.022 1.362 -0.765 1.00 0.00 H new ATOM 643 N TYR A 44 7.594 3.284 3.345 1.00 0.00 N ATOM 644 CA TYR A 44 7.513 3.520 4.782 1.00 0.00 C ATOM 645 C TYR A 44 6.440 2.642 5.419 1.00 0.00 C ATOM 646 O TYR A 44 5.303 2.593 4.950 1.00 0.00 O ATOM 647 CB TYR A 44 7.214 4.994 5.061 1.00 0.00 C ATOM 648 CG TYR A 44 7.153 5.331 6.534 1.00 0.00 C ATOM 649 CD1 TYR A 44 5.980 5.158 7.258 1.00 0.00 C ATOM 650 CD2 TYR A 44 8.269 5.820 7.201 1.00 0.00 C ATOM 651 CE1 TYR A 44 5.919 5.466 8.603 1.00 0.00 C ATOM 652 CE2 TYR A 44 8.218 6.129 8.547 1.00 0.00 C ATOM 653 CZ TYR A 44 7.041 5.950 9.243 1.00 0.00 C ATOM 654 OH TYR A 44 6.985 6.256 10.584 1.00 0.00 O ATOM 0 H TYR A 44 6.772 3.585 2.821 1.00 0.00 H new ATOM 0 HA TYR A 44 8.476 3.261 5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.981 5.608 4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.264 5.258 4.597 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.101 4.776 6.761 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.192 5.961 6.659 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.998 5.329 9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.095 6.508 9.051 1.00 0.00 H new ATOM 0 HH TYR A 44 7.859 6.584 10.882 1.00 0.00 H new ATOM 664 N ILE A 45 6.812 1.950 6.491 1.00 0.00 N ATOM 665 CA ILE A 45 5.882 1.075 7.194 1.00 0.00 C ATOM 666 C ILE A 45 5.942 1.307 8.700 1.00 0.00 C ATOM 667 O ILE A 45 6.855 0.850 9.388 1.00 0.00 O ATOM 668 CB ILE A 45 6.175 -0.409 6.902 1.00 0.00 C ATOM 669 CG1 ILE A 45 6.022 -0.697 5.408 1.00 0.00 C ATOM 670 CG2 ILE A 45 5.251 -1.301 7.717 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.542 -2.057 4.998 1.00 0.00 C ATOM 0 H ILE A 45 7.750 1.978 6.891 1.00 0.00 H new ATOM 0 HA ILE A 45 4.883 1.318 6.831 1.00 0.00 H new ATOM 0 HB ILE A 45 7.204 -0.625 7.190 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.968 -0.623 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.550 0.071 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.470 -2.347 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.405 -1.111 8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.215 -1.086 7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.401 -2.192 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.603 -2.128 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.997 -2.832 5.536 1.00 0.00 H new ATOM 683 N PRO A 46 4.944 2.032 9.227 1.00 0.00 N ATOM 684 CA PRO A 46 4.859 2.339 10.658 1.00 0.00 C ATOM 685 C PRO A 46 5.151 1.122 11.530 1.00 0.00 C ATOM 686 O PRO A 46 5.310 0.010 11.027 1.00 0.00 O ATOM 687 CB PRO A 46 3.407 2.790 10.838 1.00 0.00 C ATOM 688 CG PRO A 46 3.016 3.346 9.513 1.00 0.00 C ATOM 689 CD PRO A 46 3.822 2.608 8.467 1.00 0.00 C ATOM 0 HA PRO A 46 5.593 3.087 10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.766 1.956 11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.320 3.541 11.624 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.948 3.215 9.340 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.217 4.416 9.470 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.230 1.833 7.979 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.173 3.281 7.685 1.00 0.00 H new ATOM 851 N GLY A 56 -0.959 -1.126 10.579 1.00 0.00 N ATOM 852 CA GLY A 56 -2.105 -1.397 9.731 1.00 0.00 C ATOM 853 C GLY A 56 -2.008 -0.704 8.386 1.00 0.00 C ATOM 854 O GLY A 56 -2.289 -1.304 7.348 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.193 -2.472 9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.013 -1.073 10.239 1.00 0.00 H new ATOM 858 N PHE A 57 -1.610 0.564 8.404 1.00 0.00 N ATOM 859 CA PHE A 57 -1.479 1.341 7.176 1.00 0.00 C ATOM 860 C PHE A 57 -0.013 1.631 6.870 1.00 0.00 C ATOM 861 O PHE A 57 0.859 1.439 7.717 1.00 0.00 O ATOM 862 CB PHE A 57 -2.257 2.653 7.293 1.00 0.00 C ATOM 863 CG PHE A 57 -2.020 3.377 8.588 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.966 4.267 8.718 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.852 3.167 9.676 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.746 4.934 9.908 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.637 3.832 10.869 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.582 4.716 10.985 1.00 0.00 C ATOM 0 H PHE A 57 -1.373 1.075 9.254 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.893 0.753 6.357 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.980 3.306 6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.322 2.445 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.309 4.441 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.678 2.476 9.591 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.079 5.625 9.996 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.293 3.660 11.709 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.411 5.236 11.916 1.00 0.00 H new ATOM 878 N ALA A 58 0.251 2.095 5.653 1.00 0.00 N ATOM 879 CA ALA A 58 1.610 2.413 5.234 1.00 0.00 C ATOM 880 C ALA A 58 1.627 3.606 4.284 1.00 0.00 C ATOM 881 O ALA A 58 0.580 4.162 3.952 1.00 0.00 O ATOM 882 CB ALA A 58 2.257 1.203 4.578 1.00 0.00 C ATOM 0 H ALA A 58 -0.459 2.259 4.940 1.00 0.00 H new ATOM 0 HA ALA A 58 2.184 2.681 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.272 1.455 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.288 0.377 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.675 0.908 3.704 1.00 0.00 H new ATOM 888 N PHE A 59 2.821 3.993 3.849 1.00 0.00 N ATOM 889 CA PHE A 59 2.974 5.121 2.937 1.00 0.00 C ATOM 890 C PHE A 59 4.068 4.845 1.910 1.00 0.00 C ATOM 891 O PHE A 59 5.151 4.370 2.252 1.00 0.00 O ATOM 892 CB PHE A 59 3.302 6.395 3.719 1.00 0.00 C ATOM 893 CG PHE A 59 2.171 6.877 4.581 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.927 6.298 5.815 1.00 0.00 C ATOM 895 CD2 PHE A 59 1.351 7.910 4.156 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.887 6.740 6.611 1.00 0.00 C ATOM 897 CE2 PHE A 59 0.309 8.357 4.948 1.00 0.00 C ATOM 898 CZ PHE A 59 0.076 7.770 6.176 1.00 0.00 C ATOM 0 H PHE A 59 3.697 3.542 4.113 1.00 0.00 H new ATOM 0 HA PHE A 59 2.031 5.260 2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.174 6.212 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.574 7.183 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.557 5.491 6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.528 8.371 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.709 6.281 7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.322 9.164 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.739 8.116 6.795 1.00 0.00 H new ATOM 908 N VAL A 60 3.777 5.147 0.649 1.00 0.00 N ATOM 909 CA VAL A 60 4.734 4.932 -0.430 1.00 0.00 C ATOM 910 C VAL A 60 4.962 6.213 -1.225 1.00 0.00 C ATOM 911 O VAL A 60 4.020 6.949 -1.519 1.00 0.00 O ATOM 912 CB VAL A 60 4.262 3.823 -1.388 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.348 3.492 -2.400 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.854 2.583 -0.607 1.00 0.00 C ATOM 0 H VAL A 60 2.886 5.542 0.349 1.00 0.00 H new ATOM 0 HA VAL A 60 5.671 4.624 0.035 1.00 0.00 H new ATOM 0 HB VAL A 60 3.390 4.185 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.995 2.706 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.587 4.382 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.241 3.150 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.523 1.809 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.706 2.217 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.040 2.833 0.073 1.00 0.00 H new ATOM 924 N ARG A 61 6.219 6.472 -1.571 1.00 0.00 N ATOM 925 CA ARG A 61 6.571 7.665 -2.332 1.00 0.00 C ATOM 926 C ARG A 61 6.938 7.304 -3.769 1.00 0.00 C ATOM 927 O ARG A 61 7.482 6.231 -4.031 1.00 0.00 O ATOM 928 CB ARG A 61 7.737 8.396 -1.665 1.00 0.00 C ATOM 929 CG ARG A 61 7.462 8.792 -0.223 1.00 0.00 C ATOM 930 CD ARG A 61 6.825 10.170 -0.135 1.00 0.00 C ATOM 931 NE ARG A 61 6.940 10.742 1.204 1.00 0.00 N ATOM 932 CZ ARG A 61 8.096 11.092 1.757 1.00 0.00 C ATOM 933 NH1 ARG A 61 9.230 10.930 1.089 1.00 0.00 N ATOM 934 NH2 ARG A 61 8.119 11.606 2.980 1.00 0.00 N ATOM 0 H ARG A 61 7.010 5.872 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 61 5.702 8.323 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.620 7.758 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.971 9.292 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.804 8.056 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.394 8.784 0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.300 10.836 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.773 10.101 -0.411 1.00 0.00 H new ATOM 0 HE ARG A 61 6.086 10.880 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.216 10.536 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.116 11.200 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.249 11.733 3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.007 11.874 3.404 1.00 0.00 H new ATOM 948 N PHE A 62 6.637 8.208 -4.696 1.00 0.00 N ATOM 949 CA PHE A 62 6.934 7.984 -6.106 1.00 0.00 C ATOM 950 C PHE A 62 7.727 9.152 -6.686 1.00 0.00 C ATOM 951 O PHE A 62 8.104 10.078 -5.968 1.00 0.00 O ATOM 952 CB PHE A 62 5.639 7.789 -6.897 1.00 0.00 C ATOM 953 CG PHE A 62 4.909 6.524 -6.549 1.00 0.00 C ATOM 954 CD1 PHE A 62 4.504 6.278 -5.247 1.00 0.00 C ATOM 955 CD2 PHE A 62 4.627 5.581 -7.524 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.832 5.114 -4.924 1.00 0.00 C ATOM 957 CE2 PHE A 62 3.955 4.415 -7.207 1.00 0.00 C ATOM 958 CZ PHE A 62 3.556 4.182 -5.905 1.00 0.00 C ATOM 0 H PHE A 62 6.188 9.102 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 62 7.539 7.081 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.981 8.640 -6.718 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.870 7.784 -7.962 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.716 7.004 -4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.936 5.759 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.523 4.934 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.742 3.687 -7.976 1.00 0.00 H new ATOM 0 HZ PHE A 62 3.029 3.273 -5.655 1.00 0.00 H new ATOM 968 N HIS A 63 7.977 9.099 -7.991 1.00 0.00 N ATOM 969 CA HIS A 63 8.725 10.152 -8.669 1.00 0.00 C ATOM 970 C HIS A 63 7.824 10.931 -9.622 1.00 0.00 C ATOM 971 O HIS A 63 7.923 12.154 -9.725 1.00 0.00 O ATOM 972 CB HIS A 63 9.905 9.555 -9.437 1.00 0.00 C ATOM 973 CG HIS A 63 10.750 8.632 -8.614 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.413 9.034 -7.474 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.036 7.318 -8.770 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.073 8.009 -6.966 1.00 0.00 C ATOM 977 NE2 HIS A 63 11.860 6.955 -7.733 1.00 0.00 N ATOM 0 H HIS A 63 7.673 8.339 -8.599 1.00 0.00 H new ATOM 0 HA HIS A 63 9.104 10.839 -7.913 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.527 9.012 -10.303 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.529 10.365 -9.815 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.682 6.675 -9.562 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.683 8.029 -6.075 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.245 6.023 -7.580 1.00 0.00 H new ATOM 985 N ASP A 64 6.947 10.215 -10.317 1.00 0.00 N ATOM 986 CA ASP A 64 6.028 10.840 -11.262 1.00 0.00 C ATOM 987 C ASP A 64 4.597 10.799 -10.736 1.00 0.00 C ATOM 988 O ASP A 64 4.327 10.210 -9.688 1.00 0.00 O ATOM 989 CB ASP A 64 6.106 10.140 -12.620 1.00 0.00 C ATOM 990 CG ASP A 64 5.519 10.979 -13.738 1.00 0.00 C ATOM 991 OD1 ASP A 64 6.241 11.850 -14.267 1.00 0.00 O ATOM 992 OD2 ASP A 64 4.338 10.766 -14.083 1.00 0.00 O ATOM 0 H ASP A 64 6.853 9.202 -10.244 1.00 0.00 H new ATOM 0 HA ASP A 64 6.322 11.883 -11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.147 9.912 -12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.576 9.189 -12.566 1.00 0.00 H new ATOM 997 N ARG A 65 3.684 11.428 -11.468 1.00 0.00 N ATOM 998 CA ARG A 65 2.281 11.466 -11.074 1.00 0.00 C ATOM 999 C ARG A 65 1.476 10.412 -11.829 1.00 0.00 C ATOM 1000 O ARG A 65 0.773 9.603 -11.224 1.00 0.00 O ATOM 1001 CB ARG A 65 1.694 12.854 -11.333 1.00 0.00 C ATOM 1002 CG ARG A 65 1.910 13.830 -10.188 1.00 0.00 C ATOM 1003 CD ARG A 65 1.912 15.270 -10.676 1.00 0.00 C ATOM 1004 NE ARG A 65 2.900 15.490 -11.730 1.00 0.00 N ATOM 1005 CZ ARG A 65 4.199 15.644 -11.498 1.00 0.00 C ATOM 1006 NH1 ARG A 65 4.664 15.602 -10.258 1.00 0.00 N ATOM 1007 NH2 ARG A 65 5.035 15.839 -12.510 1.00 0.00 N ATOM 0 H ARG A 65 3.891 11.919 -12.338 1.00 0.00 H new ATOM 0 HA ARG A 65 2.223 11.248 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.141 13.265 -12.239 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.625 12.758 -11.520 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.125 13.698 -9.443 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.857 13.610 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.921 15.528 -11.049 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.121 15.936 -9.839 1.00 0.00 H new ATOM 0 HE ARG A 65 2.575 15.527 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.024 15.451 -9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.662 15.721 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.680 15.871 -13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.032 15.957 -12.332 1.00 0.00 H new ATOM 1021 N ARG A 66 1.584 10.430 -13.154 1.00 0.00 N ATOM 1022 CA ARG A 66 0.865 9.477 -13.992 1.00 0.00 C ATOM 1023 C ARG A 66 1.016 8.058 -13.453 1.00 0.00 C ATOM 1024 O ARG A 66 0.027 7.389 -13.151 1.00 0.00 O ATOM 1025 CB ARG A 66 1.376 9.545 -15.432 1.00 0.00 C ATOM 1026 CG ARG A 66 0.660 10.581 -16.284 1.00 0.00 C ATOM 1027 CD ARG A 66 1.278 11.961 -16.120 1.00 0.00 C ATOM 1028 NE ARG A 66 0.475 12.999 -16.760 1.00 0.00 N ATOM 1029 CZ ARG A 66 0.843 14.274 -16.829 1.00 0.00 C ATOM 1030 NH1 ARG A 66 1.994 14.665 -16.300 1.00 0.00 N ATOM 1031 NH2 ARG A 66 0.058 15.160 -17.429 1.00 0.00 N ATOM 0 H ARG A 66 2.162 11.093 -13.670 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.192 9.742 -13.976 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.442 9.771 -15.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.263 8.565 -15.895 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.703 10.284 -17.332 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.393 10.617 -16.006 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.384 12.187 -15.059 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.280 11.963 -16.548 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.417 12.731 -17.177 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.600 13.986 -15.838 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.274 15.644 -16.355 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.828 14.862 -17.837 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.341 16.139 -17.482 1.00 0.00 H new ATOM 1045 N ASP A 67 2.259 7.604 -13.337 1.00 0.00 N ATOM 1046 CA ASP A 67 2.540 6.264 -12.834 1.00 0.00 C ATOM 1047 C ASP A 67 1.774 5.996 -11.542 1.00 0.00 C ATOM 1048 O ASP A 67 1.151 4.947 -11.385 1.00 0.00 O ATOM 1049 CB ASP A 67 4.041 6.089 -12.598 1.00 0.00 C ATOM 1050 CG ASP A 67 4.549 6.937 -11.449 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.068 8.080 -11.298 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.427 6.459 -10.701 1.00 0.00 O ATOM 0 H ASP A 67 3.088 8.144 -13.584 1.00 0.00 H new ATOM 0 HA ASP A 67 2.212 5.545 -13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.254 5.040 -12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.582 6.352 -13.507 1.00 0.00 H new ATOM 1057 N ALA A 68 1.828 6.952 -10.620 1.00 0.00 N ATOM 1058 CA ALA A 68 1.139 6.820 -9.342 1.00 0.00 C ATOM 1059 C ALA A 68 -0.363 6.650 -9.543 1.00 0.00 C ATOM 1060 O ALA A 68 -0.998 5.832 -8.878 1.00 0.00 O ATOM 1061 CB ALA A 68 1.422 8.029 -8.463 1.00 0.00 C ATOM 0 H ALA A 68 2.342 7.826 -10.734 1.00 0.00 H new ATOM 0 HA ALA A 68 1.516 5.926 -8.845 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.901 7.917 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.494 8.105 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.073 8.932 -8.964 1.00 0.00 H new ATOM 1067 N GLN A 69 -0.924 7.427 -10.464 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.352 7.362 -10.751 1.00 0.00 C ATOM 1069 C GLN A 69 -2.767 5.945 -11.134 1.00 0.00 C ATOM 1070 O GLN A 69 -3.650 5.356 -10.509 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.713 8.333 -11.876 1.00 0.00 C ATOM 1072 CG GLN A 69 -2.968 9.753 -11.396 1.00 0.00 C ATOM 1073 CD GLN A 69 -4.274 9.886 -10.637 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -4.290 9.911 -9.406 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -5.378 9.973 -11.369 1.00 0.00 N ATOM 0 H GLN A 69 -0.412 8.108 -11.024 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.891 7.647 -9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.905 8.345 -12.607 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.602 7.967 -12.389 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.145 10.069 -10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.980 10.426 -12.253 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.318 9.948 -12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.286 10.065 -10.913 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.125 5.404 -12.163 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.426 4.056 -12.629 1.00 0.00 C ATOM 1086 C ASP A 70 -2.398 3.062 -11.472 1.00 0.00 C ATOM 1087 O ASP A 70 -3.365 2.337 -11.239 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.429 3.630 -13.707 1.00 0.00 C ATOM 1089 CG ASP A 70 -2.014 2.617 -14.670 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.529 1.580 -14.201 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.958 2.861 -15.894 1.00 0.00 O ATOM 0 H ASP A 70 -1.392 5.879 -12.691 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.429 4.062 -13.056 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.102 4.509 -14.263 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.544 3.206 -13.232 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.283 3.034 -10.750 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.129 2.130 -9.616 1.00 0.00 C ATOM 1098 C ALA A 71 -2.326 2.221 -8.676 1.00 0.00 C ATOM 1099 O ALA A 71 -3.015 1.229 -8.437 1.00 0.00 O ATOM 1100 CB ALA A 71 0.159 2.438 -8.866 1.00 0.00 C ATOM 0 H ALA A 71 -0.473 3.627 -10.930 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.078 1.111 -9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.261 1.756 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.009 2.315 -9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.131 3.465 -8.501 1.00 0.00 H new ATOM 1106 N GLU A 72 -2.566 3.415 -8.144 1.00 0.00 N ATOM 1107 CA GLU A 72 -3.679 3.633 -7.228 1.00 0.00 C ATOM 1108 C GLU A 72 -4.975 3.067 -7.802 1.00 0.00 C ATOM 1109 O GLU A 72 -5.583 2.169 -7.222 1.00 0.00 O ATOM 1110 CB GLU A 72 -3.846 5.126 -6.938 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.041 5.445 -6.055 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.362 5.291 -6.783 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -6.516 5.896 -7.865 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -7.241 4.566 -6.272 1.00 0.00 O ATOM 0 H GLU A 72 -2.005 4.246 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.456 3.112 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.941 5.498 -6.458 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.949 5.661 -7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.031 4.788 -5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.952 6.466 -5.684 1.00 0.00 H new ATOM 1121 N ALA A 73 -5.391 3.602 -8.946 1.00 0.00 N ATOM 1122 CA ALA A 73 -6.613 3.150 -9.600 1.00 0.00 C ATOM 1123 C ALA A 73 -6.723 1.629 -9.569 1.00 0.00 C ATOM 1124 O ALA A 73 -7.649 1.076 -8.978 1.00 0.00 O ATOM 1125 CB ALA A 73 -6.662 3.656 -11.034 1.00 0.00 C ATOM 0 H ALA A 73 -4.900 4.348 -9.438 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.462 3.560 -9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.580 3.311 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.639 4.746 -11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.802 3.274 -11.584 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.771 0.959 -10.210 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.760 -0.498 -10.255 1.00 0.00 C ATOM 1133 C ALA A 74 -6.039 -1.091 -8.879 1.00 0.00 C ATOM 1134 O ALA A 74 -7.132 -1.595 -8.620 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.426 -0.999 -10.788 1.00 0.00 C ATOM 0 H ALA A 74 -4.997 1.402 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.553 -0.823 -10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.432 -2.089 -10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.267 -0.611 -11.794 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.622 -0.657 -10.136 1.00 0.00 H new ATOM 1141 N MET A 75 -5.045 -1.028 -7.999 1.00 0.00 N ATOM 1142 CA MET A 75 -5.185 -1.560 -6.648 1.00 0.00 C ATOM 1143 C MET A 75 -6.544 -1.196 -6.059 1.00 0.00 C ATOM 1144 O MET A 75 -7.436 -2.039 -5.964 1.00 0.00 O ATOM 1145 CB MET A 75 -4.067 -1.028 -5.750 1.00 0.00 C ATOM 1146 CG MET A 75 -2.825 -1.905 -5.741 1.00 0.00 C ATOM 1147 SD MET A 75 -2.952 -3.277 -4.579 1.00 0.00 S ATOM 1148 CE MET A 75 -2.159 -4.585 -5.511 1.00 0.00 C ATOM 0 H MET A 75 -4.134 -0.614 -8.197 1.00 0.00 H new ATOM 0 HA MET A 75 -5.112 -2.646 -6.702 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.792 -0.026 -6.081 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.444 -0.935 -4.731 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.655 -2.298 -6.744 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.957 -1.297 -5.486 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.567 -5.204 -4.837 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.919 -5.199 -5.995 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.508 -4.149 -6.269 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.694 0.064 -5.665 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.945 0.540 -5.085 1.00 0.00 C ATOM 1160 C ASP A 76 -9.141 -0.157 -5.727 1.00 0.00 C ATOM 1161 O ASP A 76 -9.453 0.074 -6.894 1.00 0.00 O ATOM 1162 CB ASP A 76 -8.068 2.054 -5.257 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.510 2.509 -5.366 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.045 2.524 -6.495 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -10.104 2.851 -4.322 1.00 0.00 O ATOM 0 H ASP A 76 -5.965 0.774 -5.737 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.937 0.303 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.596 2.552 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.525 2.361 -6.151 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.806 -1.012 -4.956 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.959 -1.730 -5.467 1.00 0.00 C ATOM 1172 C GLY A 77 -10.608 -3.125 -5.944 1.00 0.00 C ATOM 1173 O GLY A 77 -11.113 -3.583 -6.968 1.00 0.00 O ATOM 0 H GLY A 77 -9.567 -1.220 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.717 -1.796 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.398 -1.167 -6.291 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.739 -3.802 -5.200 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.322 -5.153 -5.552 1.00 0.00 C ATOM 1179 C ALA A 78 -9.652 -6.139 -4.437 1.00 0.00 C ATOM 1180 O ALA A 78 -9.943 -5.739 -3.310 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.832 -5.182 -5.861 1.00 0.00 C ATOM 0 H ALA A 78 -9.310 -3.436 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.873 -5.455 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.534 -6.197 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.621 -4.515 -6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.272 -4.854 -4.985 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.606 -7.428 -4.758 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.903 -8.469 -3.782 1.00 0.00 C ATOM 1189 C GLU A 79 -8.627 -9.181 -3.341 1.00 0.00 C ATOM 1190 O GLU A 79 -8.086 -10.016 -4.068 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.889 -9.482 -4.367 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.261 -10.596 -3.403 1.00 0.00 C ATOM 1193 CD GLU A 79 -12.621 -11.197 -3.703 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -13.632 -10.478 -3.557 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -12.674 -12.385 -4.083 1.00 0.00 O ATOM 0 H GLU A 79 -9.366 -7.776 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.355 -7.996 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.796 -8.959 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.456 -9.920 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.504 -11.379 -3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.256 -10.207 -2.385 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.151 -8.845 -2.148 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.938 -9.451 -1.609 1.00 0.00 C ATOM 1204 C LEU A 80 -7.008 -9.551 -0.089 1.00 0.00 C ATOM 1205 O LEU A 80 -7.655 -8.734 0.568 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.711 -8.636 -2.022 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.209 -8.854 -3.450 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.202 -7.781 -3.832 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.596 -10.240 -3.593 1.00 0.00 C ATOM 0 H LEU A 80 -8.586 -8.156 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.852 -10.458 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.944 -7.578 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.898 -8.867 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.059 -8.782 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.856 -7.953 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.674 -6.800 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.353 -7.819 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.244 -10.378 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.757 -10.340 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.347 -10.996 -3.363 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.338 -10.556 0.464 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.322 -10.761 1.908 1.00 0.00 C ATOM 1223 C ASP A 81 -7.741 -10.859 2.459 1.00 0.00 C ATOM 1224 O ASP A 81 -7.995 -10.511 3.611 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.570 -9.621 2.598 1.00 0.00 C ATOM 1226 CG ASP A 81 -4.087 -9.903 2.732 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -3.731 -11.042 3.102 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -3.282 -8.986 2.469 1.00 0.00 O ATOM 0 H ASP A 81 -5.799 -11.241 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.808 -11.700 2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.712 -8.701 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.996 -9.455 3.587 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.662 -11.334 1.627 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.044 -11.468 2.049 1.00 0.00 C ATOM 1235 C GLY A 82 -10.685 -10.132 2.369 1.00 0.00 C ATOM 1236 O GLY A 82 -11.689 -10.072 3.078 1.00 0.00 O ATOM 0 H GLY A 82 -8.476 -11.628 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.614 -11.962 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.091 -12.110 2.928 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.102 -9.058 1.846 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.621 -7.716 2.082 1.00 0.00 C ATOM 1242 C ARG A 83 -10.273 -6.787 0.923 1.00 0.00 C ATOM 1243 O ARG A 83 -9.504 -7.150 0.034 1.00 0.00 O ATOM 1244 CB ARG A 83 -10.059 -7.152 3.388 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.836 -7.582 4.622 1.00 0.00 C ATOM 1246 CD ARG A 83 -10.705 -6.566 5.745 1.00 0.00 C ATOM 1247 NE ARG A 83 -11.518 -6.923 6.904 1.00 0.00 N ATOM 1248 CZ ARG A 83 -11.592 -6.185 8.006 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -10.905 -5.054 8.098 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -12.355 -6.576 9.018 1.00 0.00 N ATOM 0 H ARG A 83 -9.270 -9.091 1.256 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.706 -7.781 2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.021 -7.469 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.056 -6.063 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.888 -7.708 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.472 -8.551 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.660 -6.490 6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.004 -5.583 5.381 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.059 -7.787 6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.318 -4.749 7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.964 -4.489 8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.886 -7.444 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.411 -6.008 9.864 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.847 -5.588 0.940 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.598 -4.608 -0.111 1.00 0.00 C ATOM 1266 C GLU A 84 -9.441 -3.688 0.266 1.00 0.00 C ATOM 1267 O GLU A 84 -9.630 -2.682 0.952 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.857 -3.780 -0.375 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.873 -3.115 -1.741 1.00 0.00 C ATOM 1270 CD GLU A 84 -12.957 -2.061 -1.865 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -14.131 -2.437 -2.058 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -12.629 -0.860 -1.768 1.00 0.00 O ATOM 0 H GLU A 84 -11.487 -5.272 1.669 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.329 -5.147 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.731 -4.425 -0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.945 -3.013 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.902 -2.656 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.020 -3.874 -2.509 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.242 -4.039 -0.187 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.052 -3.245 0.102 1.00 0.00 C ATOM 1281 C LEU A 85 -7.277 -1.778 -0.250 1.00 0.00 C ATOM 1282 O LEU A 85 -7.390 -1.422 -1.423 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.851 -3.790 -0.673 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.413 -5.211 -0.320 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.173 -5.599 -1.110 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -5.155 -5.334 1.175 1.00 0.00 C ATOM 0 H LEU A 85 -8.068 -4.868 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.849 -3.315 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.086 -3.757 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.006 -3.120 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.218 -5.896 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.876 -6.614 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.392 -5.551 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.361 -4.910 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.844 -6.352 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.368 -4.639 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.068 -5.099 1.722 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.339 -0.932 0.773 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.549 0.496 0.572 1.00 0.00 C ATOM 1300 C ARG A 86 -6.258 1.179 0.129 1.00 0.00 C ATOM 1301 O ARG A 86 -5.518 1.722 0.950 1.00 0.00 O ATOM 1302 CB ARG A 86 -8.066 1.144 1.857 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.914 2.382 1.617 1.00 0.00 C ATOM 1304 CD ARG A 86 -10.197 2.043 0.873 1.00 0.00 C ATOM 1305 NE ARG A 86 -11.160 3.140 0.916 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.815 3.501 2.014 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -11.610 2.856 3.154 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -12.676 4.510 1.973 1.00 0.00 N ATOM 0 H ARG A 86 -7.247 -1.211 1.750 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.294 0.620 -0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.655 0.413 2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.217 1.412 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.158 2.848 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.341 3.111 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.963 1.807 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.645 1.150 1.310 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.340 3.658 0.056 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.948 2.081 3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.114 3.135 3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.835 5.009 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -13.178 4.786 2.817 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.993 1.146 -1.173 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.792 1.761 -1.724 1.00 0.00 C ATOM 1324 C VAL A 87 -5.120 3.074 -2.426 1.00 0.00 C ATOM 1325 O VAL A 87 -5.478 3.087 -3.604 1.00 0.00 O ATOM 1326 CB VAL A 87 -4.087 0.822 -2.720 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.648 1.263 -2.944 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -4.141 -0.616 -2.226 1.00 0.00 C ATOM 0 H VAL A 87 -6.594 0.700 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.124 1.957 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.611 0.875 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.166 0.587 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.636 2.276 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.109 1.242 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.638 -1.266 -2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.643 -0.687 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.181 -0.926 -2.122 1.00 0.00 H new ATOM 1338 N GLN A 88 -4.994 4.177 -1.696 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.278 5.496 -2.249 1.00 0.00 C ATOM 1340 C GLN A 88 -4.349 6.548 -1.652 1.00 0.00 C ATOM 1341 O GLN A 88 -3.658 6.293 -0.665 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.736 5.879 -1.989 1.00 0.00 C ATOM 1343 CG GLN A 88 -7.012 6.277 -0.548 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.494 6.364 -0.241 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -9.305 6.664 -1.118 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -8.857 6.100 1.009 1.00 0.00 N ATOM 0 H GLN A 88 -4.697 4.184 -0.720 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.107 5.455 -3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -7.008 6.706 -2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.377 5.038 -2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.548 5.552 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.546 7.241 -0.345 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.152 5.855 1.704 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.841 6.142 1.274 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.337 7.732 -2.256 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.493 8.823 -1.784 1.00 0.00 C ATOM 1357 C VAL A 89 -3.853 9.217 -0.356 1.00 0.00 C ATOM 1358 O VAL A 89 -5.015 9.144 0.045 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.616 10.061 -2.693 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.617 11.130 -2.276 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.417 9.673 -4.150 1.00 0.00 C ATOM 0 H VAL A 89 -4.903 7.960 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.465 8.463 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.619 10.473 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.718 11.997 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.811 11.427 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.605 10.733 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.507 10.559 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.426 9.237 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.175 8.945 -4.439 1.00 0.00 H new