USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 401 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 44 CYS SG : rot 105:sc= -0.687 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.151 K(o=-5.2,f=-6.3) USER MOD Set 1.3: A 63 CYS SG : rot 0:sc= -2.32 USER MOD Set 1.4: A 66 CYS SG : rot -39:sc= -2.37 USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= -0.375 USER MOD Set 2.2: A 29 CYS SG : rot -54:sc= -0.275 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -2.02 K(o=-4.2,f=-5.6) USER MOD Set 2.4: A 52 CYS SG : rot -164:sc= -1.5 USER MOD Single : A 12 TYR OH : rot -43:sc= 0.288 USER MOD Single : A 24 THR OG1 : rot 29:sc= 0.0784 USER MOD Single : A 30 MET CE :methyl -154:sc= -2.72! (180deg=-3.14) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -5.16! C(o=-5.2!,f=-5.7!) USER MOD Single : A 45 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.33) USER MOD Single : A 51 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.312) USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= -0.105 (180deg=-0.667) USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= -0.0606 (180deg=-0.931!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -120:sc= 0.038 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.944 3.506 6.106 1.00 0.00 N ATOM 128 CA TYR A 12 -10.141 4.918 6.411 1.00 0.00 C ATOM 129 C TYR A 12 -9.015 5.764 5.824 1.00 0.00 C ATOM 130 O TYR A 12 -7.860 5.341 5.788 1.00 0.00 O ATOM 131 CB TYR A 12 -10.216 5.129 7.924 1.00 0.00 C ATOM 132 CG TYR A 12 -8.866 5.131 8.603 1.00 0.00 C ATOM 133 CD1 TYR A 12 -8.034 6.243 8.536 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.420 4.022 9.311 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.799 6.249 9.155 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.187 4.020 9.934 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.380 5.135 9.853 1.00 0.00 C ATOM 138 OH TYR A 12 -5.150 5.136 10.470 1.00 0.00 O ATOM 0 HA TYR A 12 -11.082 5.233 5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.716 6.076 8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.832 4.344 8.362 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.359 7.117 7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -9.048 3.146 9.375 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.165 7.121 9.093 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.857 3.150 10.482 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.483 5.529 9.869 1.00 0.00 H new ATOM 148 N ARG A 13 -9.362 6.962 5.365 1.00 0.00 N ATOM 149 CA ARG A 13 -8.382 7.868 4.778 1.00 0.00 C ATOM 150 C ARG A 13 -7.763 8.765 5.847 1.00 0.00 C ATOM 151 O ARG A 13 -8.464 9.299 6.706 1.00 0.00 O ATOM 152 CB ARG A 13 -9.034 8.726 3.693 1.00 0.00 C ATOM 153 CG ARG A 13 -9.668 7.915 2.574 1.00 0.00 C ATOM 154 CD ARG A 13 -10.012 8.789 1.378 1.00 0.00 C ATOM 155 NE ARG A 13 -10.953 8.133 0.474 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.224 7.896 0.781 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.703 8.260 1.962 1.00 0.00 N ATOM 158 NH2 ARG A 13 -13.018 7.295 -0.096 1.00 0.00 N ATOM 0 H ARG A 13 -10.314 7.328 5.388 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.591 7.267 4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.796 9.357 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.283 9.391 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.984 7.125 2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.571 7.429 2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.440 9.729 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.100 9.036 0.835 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.616 7.841 -0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.096 8.723 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.679 8.077 2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.653 7.015 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.994 7.113 0.140 1.00 0.00 H new ATOM 172 N PHE A 14 -6.445 8.925 5.787 1.00 0.00 N ATOM 173 CA PHE A 14 -5.731 9.755 6.750 1.00 0.00 C ATOM 174 C PHE A 14 -6.373 11.135 6.860 1.00 0.00 C ATOM 175 O PHE A 14 -6.881 11.675 5.878 1.00 0.00 O ATOM 176 CB PHE A 14 -4.262 9.895 6.345 1.00 0.00 C ATOM 177 CG PHE A 14 -3.496 10.869 7.193 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.759 12.228 7.120 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.513 10.427 8.064 1.00 0.00 C ATOM 180 CE1 PHE A 14 -3.057 13.127 7.899 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.808 11.322 8.846 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.079 12.674 8.763 1.00 0.00 C ATOM 0 H PHE A 14 -5.850 8.491 5.082 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.788 9.268 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.782 8.918 6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.209 10.213 5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.522 12.588 6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.295 9.371 8.132 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.273 14.183 7.833 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.045 10.965 9.522 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.528 13.375 9.372 1.00 0.00 H new ATOM 326 N THR A 24 3.052 8.619 12.260 1.00 0.00 N ATOM 327 CA THR A 24 2.571 8.040 11.012 1.00 0.00 C ATOM 328 C THR A 24 3.715 7.822 10.029 1.00 0.00 C ATOM 329 O THR A 24 4.151 8.753 9.350 1.00 0.00 O ATOM 330 CB THR A 24 1.506 8.937 10.351 1.00 0.00 C ATOM 331 OG1 THR A 24 1.088 8.365 9.106 1.00 0.00 O ATOM 332 CG2 THR A 24 2.050 10.338 10.114 1.00 0.00 C ATOM 0 HA THR A 24 2.123 7.078 11.262 1.00 0.00 H new ATOM 0 HB THR A 24 0.651 9.005 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.185 7.391 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.281 10.953 9.647 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.340 10.782 11.066 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.919 10.285 9.459 1.00 0.00 H new ATOM 340 N LEU A 25 4.199 6.587 9.957 1.00 0.00 N ATOM 341 CA LEU A 25 5.294 6.245 9.055 1.00 0.00 C ATOM 342 C LEU A 25 5.119 4.838 8.495 1.00 0.00 C ATOM 343 O LEU A 25 4.595 3.950 9.168 1.00 0.00 O ATOM 344 CB LEU A 25 6.634 6.353 9.785 1.00 0.00 C ATOM 345 CG LEU A 25 7.885 6.195 8.919 1.00 0.00 C ATOM 346 CD1 LEU A 25 9.040 6.997 9.499 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.263 4.727 8.791 1.00 0.00 C ATOM 0 H LEU A 25 3.851 5.806 10.512 1.00 0.00 H new ATOM 0 HA LEU A 25 5.282 6.950 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.679 7.324 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.660 5.595 10.568 1.00 0.00 H new ATOM 0 HG LEU A 25 7.666 6.581 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.921 6.873 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.768 8.052 9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.260 6.642 10.506 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.155 4.634 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.463 4.315 9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.442 4.179 8.329 1.00 0.00 H new ATOM 359 N CYS A 26 5.564 4.639 7.258 1.00 0.00 N ATOM 360 CA CYS A 26 5.459 3.340 6.607 1.00 0.00 C ATOM 361 C CYS A 26 6.791 2.596 6.657 1.00 0.00 C ATOM 362 O CYS A 26 7.684 2.845 5.848 1.00 0.00 O ATOM 363 CB CYS A 26 5.012 3.509 5.153 1.00 0.00 C ATOM 364 SG CYS A 26 4.655 1.941 4.297 1.00 0.00 S ATOM 0 H CYS A 26 6.001 5.362 6.687 1.00 0.00 H new ATOM 0 HA CYS A 26 4.714 2.753 7.144 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.120 4.135 5.129 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.789 4.041 4.605 1.00 0.00 H new ATOM 0 HG CYS A 26 3.702 1.314 4.920 1.00 0.00 H new ATOM 369 N VAL A 27 6.916 1.682 7.614 1.00 0.00 N ATOM 370 CA VAL A 27 8.137 0.901 7.770 1.00 0.00 C ATOM 371 C VAL A 27 8.507 0.194 6.471 1.00 0.00 C ATOM 372 O VAL A 27 9.678 -0.091 6.219 1.00 0.00 O ATOM 373 CB VAL A 27 7.994 -0.147 8.890 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.494 -1.467 8.324 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.318 -0.335 9.615 1.00 0.00 C ATOM 0 H VAL A 27 6.187 1.464 8.293 1.00 0.00 H new ATOM 0 HA VAL A 27 8.929 1.601 8.037 1.00 0.00 H new ATOM 0 HB VAL A 27 7.260 0.213 9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.399 -2.195 9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.522 -1.317 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.202 -1.836 7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.199 -1.079 10.403 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.075 -0.674 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.630 0.612 10.054 1.00 0.00 H new ATOM 385 N VAL A 28 7.501 -0.085 5.649 1.00 0.00 N ATOM 386 CA VAL A 28 7.720 -0.758 4.374 1.00 0.00 C ATOM 387 C VAL A 28 8.594 0.085 3.451 1.00 0.00 C ATOM 388 O VAL A 28 9.727 -0.284 3.143 1.00 0.00 O ATOM 389 CB VAL A 28 6.388 -1.063 3.664 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.620 -1.951 2.451 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.407 -1.712 4.629 1.00 0.00 C ATOM 0 H VAL A 28 6.526 0.144 5.843 1.00 0.00 H new ATOM 0 HA VAL A 28 8.228 -1.697 4.595 1.00 0.00 H new ATOM 0 HB VAL A 28 5.957 -0.123 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.667 -2.156 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.285 -1.445 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.074 -2.890 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.471 -1.921 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.829 -2.644 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.217 -1.037 5.463 1.00 0.00 H new ATOM 401 N CYS A 29 8.059 1.219 3.013 1.00 0.00 N ATOM 402 CA CYS A 29 8.788 2.116 2.125 1.00 0.00 C ATOM 403 C CYS A 29 9.433 3.254 2.911 1.00 0.00 C ATOM 404 O CYS A 29 9.816 4.276 2.342 1.00 0.00 O ATOM 405 CB CYS A 29 7.851 2.686 1.058 1.00 0.00 C ATOM 406 SG CYS A 29 6.513 3.728 1.724 1.00 0.00 S ATOM 0 H CYS A 29 7.122 1.539 3.259 1.00 0.00 H new ATOM 0 HA CYS A 29 9.576 1.542 1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.437 3.273 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.410 1.861 0.498 1.00 0.00 H new ATOM 0 HG CYS A 29 5.864 3.069 2.638 1.00 0.00 H new ATOM 411 N MET A 30 9.549 3.069 4.222 1.00 0.00 N ATOM 412 CA MET A 30 10.149 4.079 5.085 1.00 0.00 C ATOM 413 C MET A 30 9.685 5.478 4.691 1.00 0.00 C ATOM 414 O MET A 30 10.476 6.421 4.667 1.00 0.00 O ATOM 415 CB MET A 30 11.675 3.998 5.018 1.00 0.00 C ATOM 416 CG MET A 30 12.252 2.788 5.734 1.00 0.00 C ATOM 417 SD MET A 30 12.712 3.145 7.441 1.00 0.00 S ATOM 418 CE MET A 30 11.249 2.584 8.310 1.00 0.00 C ATOM 0 H MET A 30 9.236 2.230 4.709 1.00 0.00 H new ATOM 0 HA MET A 30 9.827 3.883 6.108 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.984 3.973 3.973 1.00 0.00 H new ATOM 0 HB3 MET A 30 12.098 4.903 5.453 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.521 1.980 5.720 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.129 2.434 5.192 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.157 3.123 9.253 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.367 2.771 7.697 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.332 1.516 8.510 1.00 0.00 H new ATOM 428 N CYS A 31 8.399 5.604 4.381 1.00 0.00 N ATOM 429 CA CYS A 31 7.830 6.887 3.986 1.00 0.00 C ATOM 430 C CYS A 31 6.469 7.103 4.640 1.00 0.00 C ATOM 431 O CYS A 31 5.645 6.190 4.697 1.00 0.00 O ATOM 432 CB CYS A 31 7.696 6.962 2.464 1.00 0.00 C ATOM 433 SG CYS A 31 7.375 8.626 1.833 1.00 0.00 S ATOM 0 H CYS A 31 7.731 4.833 4.396 1.00 0.00 H new ATOM 0 HA CYS A 31 8.504 7.675 4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.612 6.583 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.887 6.303 2.148 1.00 0.00 H new ATOM 0 HG CYS A 31 7.280 8.588 0.537 1.00 0.00 H new ATOM 439 N ASP A 32 6.241 8.315 5.134 1.00 0.00 N ATOM 440 CA ASP A 32 4.981 8.651 5.785 1.00 0.00 C ATOM 441 C ASP A 32 3.842 8.701 4.771 1.00 0.00 C ATOM 442 O ASP A 32 4.012 9.189 3.654 1.00 0.00 O ATOM 443 CB ASP A 32 5.097 9.995 6.506 1.00 0.00 C ATOM 444 CG ASP A 32 4.903 11.172 5.571 1.00 0.00 C ATOM 445 OD1 ASP A 32 5.638 11.259 4.565 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.016 12.007 5.845 1.00 0.00 O ATOM 0 H ASP A 32 6.913 9.081 5.096 1.00 0.00 H new ATOM 0 HA ASP A 32 4.760 7.873 6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.355 10.042 7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.077 10.067 6.978 1.00 0.00 H new ATOM 451 N PHE A 33 2.680 8.191 5.168 1.00 0.00 N ATOM 452 CA PHE A 33 1.514 8.175 4.293 1.00 0.00 C ATOM 453 C PHE A 33 1.085 9.594 3.933 1.00 0.00 C ATOM 454 O PHE A 33 1.618 10.568 4.463 1.00 0.00 O ATOM 455 CB PHE A 33 0.355 7.436 4.966 1.00 0.00 C ATOM 456 CG PHE A 33 0.793 6.257 5.788 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.441 5.185 5.196 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.557 6.222 7.153 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.845 4.099 5.949 1.00 0.00 C ATOM 460 CE2 PHE A 33 0.960 5.139 7.911 1.00 0.00 C ATOM 461 CZ PHE A 33 1.603 4.076 7.309 1.00 0.00 C ATOM 0 H PHE A 33 2.521 7.784 6.090 1.00 0.00 H new ATOM 0 HA PHE A 33 1.786 7.652 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.188 8.133 5.605 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.342 7.096 4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.633 5.198 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.053 7.050 7.629 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.349 3.270 5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.772 5.124 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.916 3.228 7.900 1.00 0.00 H new ATOM 471 N GLU A 34 0.119 9.702 3.026 1.00 0.00 N ATOM 472 CA GLU A 34 -0.381 11.002 2.594 1.00 0.00 C ATOM 473 C GLU A 34 -1.484 11.498 3.524 1.00 0.00 C ATOM 474 O GLU A 34 -1.775 10.876 4.546 1.00 0.00 O ATOM 475 CB GLU A 34 -0.907 10.920 1.159 1.00 0.00 C ATOM 476 CG GLU A 34 0.147 11.217 0.106 1.00 0.00 C ATOM 477 CD GLU A 34 -0.452 11.704 -1.199 1.00 0.00 C ATOM 478 OE1 GLU A 34 -1.448 12.456 -1.150 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.074 11.332 -2.268 1.00 0.00 O ATOM 0 H GLU A 34 -0.333 8.906 2.576 1.00 0.00 H new ATOM 0 HA GLU A 34 0.446 11.711 2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.311 9.922 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.732 11.622 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.835 11.971 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.732 10.317 -0.081 1.00 0.00 H new ATOM 486 N SER A 35 -2.093 12.623 3.163 1.00 0.00 N ATOM 487 CA SER A 35 -3.161 13.206 3.966 1.00 0.00 C ATOM 488 C SER A 35 -4.529 12.751 3.465 1.00 0.00 C ATOM 489 O SER A 35 -5.509 12.758 4.209 1.00 0.00 O ATOM 490 CB SER A 35 -3.076 14.733 3.935 1.00 0.00 C ATOM 491 OG SER A 35 -1.797 15.181 4.351 1.00 0.00 O ATOM 0 H SER A 35 -1.865 13.149 2.319 1.00 0.00 H new ATOM 0 HA SER A 35 -3.037 12.863 4.993 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.280 15.091 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.842 15.156 4.585 1.00 0.00 H new ATOM 0 HG SER A 35 -1.768 16.160 4.321 1.00 0.00 H new ATOM 497 N ARG A 36 -4.586 12.356 2.197 1.00 0.00 N ATOM 498 CA ARG A 36 -5.832 11.900 1.594 1.00 0.00 C ATOM 499 C ARG A 36 -5.609 10.628 0.782 1.00 0.00 C ATOM 500 O ARG A 36 -5.770 10.624 -0.438 1.00 0.00 O ATOM 501 CB ARG A 36 -6.421 12.992 0.700 1.00 0.00 C ATOM 502 CG ARG A 36 -5.495 13.423 -0.426 1.00 0.00 C ATOM 503 CD ARG A 36 -5.897 14.776 -0.991 1.00 0.00 C ATOM 504 NE ARG A 36 -6.963 14.661 -1.982 1.00 0.00 N ATOM 505 CZ ARG A 36 -6.752 14.336 -3.253 1.00 0.00 C ATOM 506 NH1 ARG A 36 -5.522 14.095 -3.684 1.00 0.00 N ATOM 507 NH2 ARG A 36 -7.774 14.252 -4.096 1.00 0.00 N ATOM 0 H ARG A 36 -3.783 12.343 1.568 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.535 11.679 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.357 12.634 0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.663 13.860 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.470 13.471 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.513 12.676 -1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.226 15.425 -0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.028 15.251 -1.447 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.921 14.840 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.734 14.159 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.363 13.846 -4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.722 14.437 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.611 14.002 -5.072 1.00 0.00 H new ATOM 521 N GLN A 37 -5.237 9.551 1.467 1.00 0.00 N ATOM 522 CA GLN A 37 -4.991 8.274 0.808 1.00 0.00 C ATOM 523 C GLN A 37 -5.391 7.111 1.709 1.00 0.00 C ATOM 524 O GLN A 37 -5.338 7.214 2.935 1.00 0.00 O ATOM 525 CB GLN A 37 -3.515 8.151 0.422 1.00 0.00 C ATOM 526 CG GLN A 37 -3.057 9.205 -0.572 1.00 0.00 C ATOM 527 CD GLN A 37 -1.709 8.881 -1.187 1.00 0.00 C ATOM 528 OE1 GLN A 37 -1.409 9.296 -2.306 1.00 0.00 O ATOM 529 NE2 GLN A 37 -0.889 8.136 -0.455 1.00 0.00 N ATOM 0 H GLN A 37 -5.100 9.538 2.478 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.600 8.237 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.905 8.223 1.323 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.340 7.163 -0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.800 9.299 -1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.001 10.171 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.180 7.814 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.032 7.886 -0.816 1.00 0.00 H new ATOM 538 N LEU A 38 -5.793 6.004 1.094 1.00 0.00 N ATOM 539 CA LEU A 38 -6.203 4.820 1.840 1.00 0.00 C ATOM 540 C LEU A 38 -4.994 4.102 2.431 1.00 0.00 C ATOM 541 O LEU A 38 -3.958 3.968 1.778 1.00 0.00 O ATOM 542 CB LEU A 38 -6.984 3.867 0.934 1.00 0.00 C ATOM 543 CG LEU A 38 -7.980 2.940 1.633 1.00 0.00 C ATOM 544 CD1 LEU A 38 -9.258 3.689 1.973 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.284 1.730 0.761 1.00 0.00 C ATOM 0 H LEU A 38 -5.844 5.902 0.080 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.846 5.142 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.526 4.460 0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.270 3.253 0.385 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.531 2.590 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.954 3.013 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.026 4.522 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.712 4.069 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.994 1.081 1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.713 2.062 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.363 1.180 0.569 1.00 0.00 H new ATOM 557 N LEU A 39 -5.133 3.640 3.668 1.00 0.00 N ATOM 558 CA LEU A 39 -4.053 2.932 4.347 1.00 0.00 C ATOM 559 C LEU A 39 -4.572 1.672 5.031 1.00 0.00 C ATOM 560 O LEU A 39 -5.780 1.446 5.103 1.00 0.00 O ATOM 561 CB LEU A 39 -3.385 3.847 5.375 1.00 0.00 C ATOM 562 CG LEU A 39 -3.089 5.274 4.913 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.647 6.135 6.086 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.029 5.272 3.821 1.00 0.00 C ATOM 0 H LEU A 39 -5.983 3.743 4.222 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.317 2.638 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.024 3.897 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.448 3.386 5.687 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.005 5.699 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.441 7.147 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.438 6.163 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.744 5.713 6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.831 6.296 3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.111 4.827 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.385 4.691 2.970 1.00 0.00 H new ATOM 576 N ARG A 40 -3.652 0.856 5.534 1.00 0.00 N ATOM 577 CA ARG A 40 -4.017 -0.381 6.214 1.00 0.00 C ATOM 578 C ARG A 40 -3.342 -0.471 7.580 1.00 0.00 C ATOM 579 O ARG A 40 -2.116 -0.424 7.682 1.00 0.00 O ATOM 580 CB ARG A 40 -3.629 -1.590 5.361 1.00 0.00 C ATOM 581 CG ARG A 40 -4.711 -2.017 4.383 1.00 0.00 C ATOM 582 CD ARG A 40 -5.646 -3.045 5.001 1.00 0.00 C ATOM 583 NE ARG A 40 -6.534 -3.644 4.007 1.00 0.00 N ATOM 584 CZ ARG A 40 -7.664 -3.078 3.596 1.00 0.00 C ATOM 585 NH1 ARG A 40 -8.041 -1.906 4.089 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.419 -3.685 2.689 1.00 0.00 N ATOM 0 H ARG A 40 -2.648 1.029 5.484 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.097 -0.380 6.361 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.721 -1.356 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.394 -2.427 6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.284 -1.145 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.250 -2.435 3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.058 -3.828 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.242 -2.571 5.781 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.272 -4.545 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.463 -1.436 4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.909 -1.474 3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.132 -4.586 2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.286 -3.250 2.374 1.00 0.00 H new ATOM 600 N VAL A 41 -4.150 -0.599 8.627 1.00 0.00 N ATOM 601 CA VAL A 41 -3.632 -0.696 9.986 1.00 0.00 C ATOM 602 C VAL A 41 -3.561 -2.148 10.445 1.00 0.00 C ATOM 603 O VAL A 41 -4.587 -2.812 10.600 1.00 0.00 O ATOM 604 CB VAL A 41 -4.500 0.103 10.976 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.844 0.144 12.348 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.748 1.510 10.452 1.00 0.00 C ATOM 0 H VAL A 41 -5.167 -0.638 8.560 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.627 -0.273 9.973 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.463 -0.398 11.075 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.471 0.713 13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.723 -0.872 12.724 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.867 0.621 12.270 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.363 2.060 11.164 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.795 2.023 10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.264 1.456 9.493 1.00 0.00 H new ATOM 616 N LEU A 42 -2.345 -2.635 10.663 1.00 0.00 N ATOM 617 CA LEU A 42 -2.140 -4.010 11.106 1.00 0.00 C ATOM 618 C LEU A 42 -2.821 -4.257 12.448 1.00 0.00 C ATOM 619 O LEU A 42 -3.095 -3.332 13.213 1.00 0.00 O ATOM 620 CB LEU A 42 -0.645 -4.313 11.216 1.00 0.00 C ATOM 621 CG LEU A 42 0.083 -4.593 9.900 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.510 -5.046 10.165 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.669 -5.636 9.087 1.00 0.00 C ATOM 0 H LEU A 42 -1.486 -2.099 10.540 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.586 -4.675 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.159 -3.468 11.704 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.517 -5.176 11.869 1.00 0.00 H new ATOM 0 HG LEU A 42 0.120 -3.669 9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.012 -5.240 9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.045 -4.265 10.706 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.497 -5.958 10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.137 -5.823 8.154 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.737 -6.562 9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.672 -5.271 8.866 1.00 0.00 H new ATOM 635 N PRO A 43 -3.100 -5.535 12.744 1.00 0.00 N ATOM 636 CA PRO A 43 -3.749 -5.934 13.996 1.00 0.00 C ATOM 637 C PRO A 43 -2.840 -5.750 15.206 1.00 0.00 C ATOM 638 O PRO A 43 -3.202 -6.105 16.328 1.00 0.00 O ATOM 639 CB PRO A 43 -4.057 -7.418 13.779 1.00 0.00 C ATOM 640 CG PRO A 43 -3.052 -7.870 12.777 1.00 0.00 C ATOM 641 CD PRO A 43 -2.801 -6.690 11.880 1.00 0.00 C ATOM 0 HA PRO A 43 -4.630 -5.328 14.209 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.970 -7.981 14.709 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.074 -7.562 13.413 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.132 -8.192 13.265 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.425 -8.721 12.207 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.771 -6.669 11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.444 -6.710 11.000 1.00 0.00 H new ATOM 649 N CYS A 44 -1.657 -5.192 14.971 1.00 0.00 N ATOM 650 CA CYS A 44 -0.694 -4.960 16.041 1.00 0.00 C ATOM 651 C CYS A 44 -0.623 -3.478 16.397 1.00 0.00 C ATOM 652 O CYS A 44 0.276 -3.044 17.116 1.00 0.00 O ATOM 653 CB CYS A 44 0.690 -5.464 15.628 1.00 0.00 C ATOM 654 SG CYS A 44 1.159 -5.035 13.921 1.00 0.00 S ATOM 0 H CYS A 44 -1.342 -4.892 14.048 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.026 -5.511 16.921 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.433 -5.054 16.312 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.718 -6.548 15.740 1.00 0.00 H new ATOM 0 HG CYS A 44 2.029 -4.069 13.940 1.00 0.00 H new ATOM 659 N ASN A 45 -1.579 -2.707 15.889 1.00 0.00 N ATOM 660 CA ASN A 45 -1.625 -1.273 16.153 1.00 0.00 C ATOM 661 C ASN A 45 -0.542 -0.540 15.366 1.00 0.00 C ATOM 662 O ASN A 45 0.119 0.358 15.888 1.00 0.00 O ATOM 663 CB ASN A 45 -1.455 -1.003 17.649 1.00 0.00 C ATOM 664 CG ASN A 45 -1.894 0.396 18.038 1.00 0.00 C ATOM 665 OD1 ASN A 45 -1.066 1.281 18.253 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.203 0.601 18.129 1.00 0.00 N ATOM 0 H ASN A 45 -2.332 -3.051 15.293 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.598 -0.901 15.832 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.034 -1.733 18.215 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.410 -1.142 17.924 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.558 1.522 18.386 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.853 -0.162 17.942 1.00 0.00 H new ATOM 673 N HIS A 46 -0.368 -0.929 14.107 1.00 0.00 N ATOM 674 CA HIS A 46 0.634 -0.308 13.247 1.00 0.00 C ATOM 675 C HIS A 46 0.015 0.135 11.925 1.00 0.00 C ATOM 676 O HIS A 46 -0.756 -0.602 11.312 1.00 0.00 O ATOM 677 CB HIS A 46 1.785 -1.280 12.985 1.00 0.00 C ATOM 678 CG HIS A 46 2.804 -1.311 14.082 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.462 -2.460 14.465 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.278 -0.325 14.878 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.296 -2.180 15.450 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.204 -0.890 15.720 1.00 0.00 N ATOM 0 H HIS A 46 -0.907 -1.670 13.660 1.00 0.00 H new ATOM 0 HA HIS A 46 1.022 0.572 13.759 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.379 -2.282 12.849 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.276 -1.005 12.052 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.983 0.714 14.855 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.943 -2.886 15.950 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.734 -0.395 16.437 1.00 0.00 H new ATOM 690 N GLU A 47 0.358 1.344 11.492 1.00 0.00 N ATOM 691 CA GLU A 47 -0.165 1.885 10.243 1.00 0.00 C ATOM 692 C GLU A 47 0.741 1.522 9.070 1.00 0.00 C ATOM 693 O GLU A 47 1.964 1.477 9.206 1.00 0.00 O ATOM 694 CB GLU A 47 -0.307 3.406 10.339 1.00 0.00 C ATOM 695 CG GLU A 47 -1.266 3.859 11.427 1.00 0.00 C ATOM 696 CD GLU A 47 -1.613 5.332 11.322 1.00 0.00 C ATOM 697 OE1 GLU A 47 -2.505 5.675 10.518 1.00 0.00 O ATOM 698 OE2 GLU A 47 -0.992 6.141 12.043 1.00 0.00 O ATOM 0 H GLU A 47 0.996 1.967 11.988 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.147 1.445 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.674 3.843 10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.651 3.792 9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.181 3.269 11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.822 3.663 12.403 1.00 0.00 H new ATOM 705 N PHE A 48 0.132 1.261 7.918 1.00 0.00 N ATOM 706 CA PHE A 48 0.882 0.900 6.721 1.00 0.00 C ATOM 707 C PHE A 48 0.140 1.336 5.461 1.00 0.00 C ATOM 708 O PHE A 48 -1.028 1.723 5.518 1.00 0.00 O ATOM 709 CB PHE A 48 1.129 -0.610 6.684 1.00 0.00 C ATOM 710 CG PHE A 48 1.921 -1.117 7.855 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.305 -1.053 7.852 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.282 -1.657 8.960 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.038 -1.518 8.928 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.009 -2.124 10.039 1.00 0.00 C ATOM 715 CZ PHE A 48 3.388 -2.055 10.022 1.00 0.00 C ATOM 0 H PHE A 48 -0.879 1.293 7.788 1.00 0.00 H new ATOM 0 HA PHE A 48 1.841 1.418 6.754 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.170 -1.126 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.656 -0.861 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.818 -0.635 6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.204 -1.714 8.978 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.116 -1.461 8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.499 -2.542 10.894 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.958 -2.421 10.863 1.00 0.00 H new ATOM 725 N HIS A 49 0.827 1.271 4.325 1.00 0.00 N ATOM 726 CA HIS A 49 0.233 1.659 3.050 1.00 0.00 C ATOM 727 C HIS A 49 -0.621 0.530 2.482 1.00 0.00 C ATOM 728 O HIS A 49 -0.201 -0.627 2.458 1.00 0.00 O ATOM 729 CB HIS A 49 1.326 2.040 2.050 1.00 0.00 C ATOM 730 CG HIS A 49 1.616 3.509 2.012 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.888 4.028 2.134 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.791 4.572 1.863 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.832 5.346 2.063 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.571 5.701 1.898 1.00 0.00 N ATOM 0 H HIS A 49 1.794 0.954 4.261 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.408 2.523 3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.241 1.504 2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.027 1.711 1.055 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.739 3.480 2.259 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.281 4.538 1.740 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.674 6.019 2.129 1.00 0.00 H new ATOM 742 N ALA A 50 -1.821 0.874 2.027 1.00 0.00 N ATOM 743 CA ALA A 50 -2.734 -0.111 1.459 1.00 0.00 C ATOM 744 C ALA A 50 -2.061 -0.902 0.342 1.00 0.00 C ATOM 745 O ALA A 50 -2.438 -2.039 0.059 1.00 0.00 O ATOM 746 CB ALA A 50 -3.991 0.572 0.941 1.00 0.00 C ATOM 0 H ALA A 50 -2.184 1.827 2.040 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.012 -0.810 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.664 -0.175 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.490 1.087 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.722 1.294 0.170 1.00 0.00 H new ATOM 752 N LYS A 51 -1.064 -0.293 -0.290 1.00 0.00 N ATOM 753 CA LYS A 51 -0.337 -0.940 -1.377 1.00 0.00 C ATOM 754 C LYS A 51 0.880 -1.690 -0.846 1.00 0.00 C ATOM 755 O LYS A 51 1.088 -2.861 -1.164 1.00 0.00 O ATOM 756 CB LYS A 51 0.101 0.097 -2.413 1.00 0.00 C ATOM 757 CG LYS A 51 0.995 1.185 -1.845 1.00 0.00 C ATOM 758 CD LYS A 51 1.186 2.323 -2.833 1.00 0.00 C ATOM 759 CE LYS A 51 2.394 2.089 -3.727 1.00 0.00 C ATOM 760 NZ LYS A 51 2.034 1.333 -4.959 1.00 0.00 N ATOM 0 H LYS A 51 -0.740 0.649 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.006 -1.658 -1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.628 -0.410 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.785 0.558 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.559 1.571 -0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.965 0.761 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.292 2.426 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.310 3.260 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.832 3.048 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.155 1.539 -3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.719 0.565 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.081 0.931 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.050 1.975 -5.777 1.00 0.00 H new ATOM 774 N CYS A 52 1.682 -1.008 -0.034 1.00 0.00 N ATOM 775 CA CYS A 52 2.878 -1.610 0.542 1.00 0.00 C ATOM 776 C CYS A 52 2.530 -2.874 1.323 1.00 0.00 C ATOM 777 O CYS A 52 2.882 -3.982 0.920 1.00 0.00 O ATOM 778 CB CYS A 52 3.586 -0.610 1.459 1.00 0.00 C ATOM 779 SG CYS A 52 4.108 0.923 0.624 1.00 0.00 S ATOM 0 H CYS A 52 1.525 -0.038 0.240 1.00 0.00 H new ATOM 0 HA CYS A 52 3.547 -1.882 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.920 -0.354 2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.462 -1.090 1.895 1.00 0.00 H new ATOM 0 HG CYS A 52 4.972 1.549 1.367 1.00 0.00 H new ATOM 784 N VAL A 53 1.835 -2.699 2.442 1.00 0.00 N ATOM 785 CA VAL A 53 1.437 -3.824 3.279 1.00 0.00 C ATOM 786 C VAL A 53 0.927 -4.985 2.432 1.00 0.00 C ATOM 787 O VAL A 53 1.227 -6.147 2.709 1.00 0.00 O ATOM 788 CB VAL A 53 0.343 -3.417 4.284 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.017 -3.373 3.604 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.326 -4.372 5.468 1.00 0.00 C ATOM 0 H VAL A 53 1.536 -1.788 2.790 1.00 0.00 H new ATOM 0 HA VAL A 53 2.324 -4.140 3.828 1.00 0.00 H new ATOM 0 HB VAL A 53 0.569 -2.418 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.777 -3.084 4.329 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.995 -2.646 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.255 -4.358 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.453 -4.070 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.125 -5.384 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.294 -4.348 5.969 1.00 0.00 H new ATOM 800 N ASP A 54 0.156 -4.663 1.400 1.00 0.00 N ATOM 801 CA ASP A 54 -0.395 -5.680 0.511 1.00 0.00 C ATOM 802 C ASP A 54 0.712 -6.564 -0.055 1.00 0.00 C ATOM 803 O ASP A 54 0.710 -7.780 0.140 1.00 0.00 O ATOM 804 CB ASP A 54 -1.172 -5.022 -0.631 1.00 0.00 C ATOM 805 CG ASP A 54 -1.839 -6.038 -1.537 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.114 -6.823 -2.184 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.086 -6.049 -1.599 1.00 0.00 O ATOM 0 H ASP A 54 -0.102 -3.706 1.158 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.074 -6.305 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.929 -4.357 -0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.494 -4.404 -1.220 1.00 0.00 H new ATOM 812 N LYS A 55 1.656 -5.946 -0.757 1.00 0.00 N ATOM 813 CA LYS A 55 2.769 -6.676 -1.351 1.00 0.00 C ATOM 814 C LYS A 55 3.592 -7.382 -0.278 1.00 0.00 C ATOM 815 O LYS A 55 4.007 -8.527 -0.454 1.00 0.00 O ATOM 816 CB LYS A 55 3.662 -5.723 -2.149 1.00 0.00 C ATOM 817 CG LYS A 55 4.913 -6.383 -2.703 1.00 0.00 C ATOM 818 CD LYS A 55 5.874 -5.358 -3.283 1.00 0.00 C ATOM 819 CE LYS A 55 7.298 -5.890 -3.324 1.00 0.00 C ATOM 820 NZ LYS A 55 7.829 -6.159 -1.959 1.00 0.00 N ATOM 0 H LYS A 55 1.672 -4.941 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 55 2.359 -7.430 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.086 -5.304 -2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.954 -4.890 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.411 -6.943 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.635 -7.101 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.556 -5.089 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.842 -4.448 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.326 -6.807 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.941 -5.168 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.867 -6.088 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.441 -5.462 -1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.551 -7.116 -1.660 1.00 0.00 H new ATOM 834 N TRP A 56 3.823 -6.692 0.833 1.00 0.00 N ATOM 835 CA TRP A 56 4.595 -7.254 1.935 1.00 0.00 C ATOM 836 C TRP A 56 3.964 -8.548 2.438 1.00 0.00 C ATOM 837 O TRP A 56 4.594 -9.606 2.417 1.00 0.00 O ATOM 838 CB TRP A 56 4.698 -6.244 3.080 1.00 0.00 C ATOM 839 CG TRP A 56 5.410 -6.782 4.284 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.838 -7.313 5.405 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.826 -6.839 4.488 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.814 -7.697 6.293 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.042 -7.418 5.754 1.00 0.00 C ATOM 844 CE3 TRP A 56 7.933 -6.460 3.723 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.318 -7.623 6.271 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.199 -6.665 4.238 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.383 -7.243 5.501 1.00 0.00 C ATOM 0 H TRP A 56 3.487 -5.743 0.995 1.00 0.00 H new ATOM 0 HA TRP A 56 5.596 -7.479 1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.220 -5.355 2.725 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.695 -5.930 3.370 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.776 -7.416 5.569 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.650 -8.121 7.206 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.801 -6.015 2.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.462 -8.066 7.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.062 -6.375 3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.386 -7.391 5.874 1.00 0.00 H new ATOM 858 N LEU A 57 2.718 -8.457 2.888 1.00 0.00 N ATOM 859 CA LEU A 57 2.001 -9.622 3.396 1.00 0.00 C ATOM 860 C LEU A 57 2.200 -10.825 2.480 1.00 0.00 C ATOM 861 O LEU A 57 2.335 -11.957 2.945 1.00 0.00 O ATOM 862 CB LEU A 57 0.510 -9.309 3.530 1.00 0.00 C ATOM 863 CG LEU A 57 0.132 -8.289 4.605 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.327 -7.882 4.465 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.399 -8.853 5.993 1.00 0.00 C ATOM 0 H LEU A 57 2.183 -7.589 2.912 1.00 0.00 H new ATOM 0 HA LEU A 57 2.404 -9.866 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.148 -8.945 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.019 -10.239 3.738 1.00 0.00 H new ATOM 0 HG LEU A 57 0.750 -7.402 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.578 -7.156 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.488 -7.437 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.962 -8.761 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.124 -8.114 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.193 -9.756 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.458 -9.094 6.091 1.00 0.00 H new ATOM 877 N LYS A 58 2.218 -10.573 1.176 1.00 0.00 N ATOM 878 CA LYS A 58 2.404 -11.634 0.193 1.00 0.00 C ATOM 879 C LYS A 58 3.750 -12.326 0.388 1.00 0.00 C ATOM 880 O LYS A 58 3.872 -13.534 0.186 1.00 0.00 O ATOM 881 CB LYS A 58 2.311 -11.066 -1.225 1.00 0.00 C ATOM 882 CG LYS A 58 0.920 -11.161 -1.828 1.00 0.00 C ATOM 883 CD LYS A 58 0.037 -10.010 -1.376 1.00 0.00 C ATOM 884 CE LYS A 58 -1.325 -10.053 -2.053 1.00 0.00 C ATOM 885 NZ LYS A 58 -2.343 -9.268 -1.301 1.00 0.00 N ATOM 0 H LYS A 58 2.106 -9.642 0.775 1.00 0.00 H new ATOM 0 HA LYS A 58 1.613 -12.370 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.621 -10.021 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.013 -11.597 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.993 -11.160 -2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.462 -12.107 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.092 -10.052 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.527 -9.063 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.239 -9.660 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.655 -11.088 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.095 -9.904 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.892 -8.806 -0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.754 -8.544 -1.925 1.00 0.00 H new ATOM 899 N ALA A 59 4.756 -11.553 0.782 1.00 0.00 N ATOM 900 CA ALA A 59 6.091 -12.093 1.007 1.00 0.00 C ATOM 901 C ALA A 59 6.228 -12.648 2.420 1.00 0.00 C ATOM 902 O ALA A 59 6.727 -13.755 2.617 1.00 0.00 O ATOM 903 CB ALA A 59 7.143 -11.022 0.754 1.00 0.00 C ATOM 0 H ALA A 59 4.672 -10.551 0.952 1.00 0.00 H new ATOM 0 HA ALA A 59 6.247 -12.913 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.135 -11.439 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.069 -10.675 -0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.979 -10.184 1.432 1.00 0.00 H new ATOM 909 N ASN A 60 5.782 -11.871 3.402 1.00 0.00 N ATOM 910 CA ASN A 60 5.856 -12.285 4.798 1.00 0.00 C ATOM 911 C ASN A 60 4.515 -12.084 5.497 1.00 0.00 C ATOM 912 O ASN A 60 3.930 -11.002 5.440 1.00 0.00 O ATOM 913 CB ASN A 60 6.947 -11.499 5.528 1.00 0.00 C ATOM 914 CG ASN A 60 8.311 -11.672 4.888 1.00 0.00 C ATOM 915 OD1 ASN A 60 9.025 -12.635 5.171 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.679 -10.738 4.019 1.00 0.00 N ATOM 0 H ASN A 60 5.366 -10.951 3.256 1.00 0.00 H new ATOM 0 HA ASN A 60 6.103 -13.346 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.684 -10.441 5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.992 -11.825 6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.585 -10.801 3.556 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.055 -9.957 3.815 1.00 0.00 H new ATOM 923 N ARG A 61 4.034 -13.133 6.157 1.00 0.00 N ATOM 924 CA ARG A 61 2.762 -13.071 6.867 1.00 0.00 C ATOM 925 C ARG A 61 2.944 -12.471 8.257 1.00 0.00 C ATOM 926 O ARG A 61 2.244 -12.838 9.202 1.00 0.00 O ATOM 927 CB ARG A 61 2.149 -14.468 6.979 1.00 0.00 C ATOM 928 CG ARG A 61 1.767 -15.076 5.639 1.00 0.00 C ATOM 929 CD ARG A 61 1.559 -16.578 5.748 1.00 0.00 C ATOM 930 NE ARG A 61 1.715 -17.247 4.459 1.00 0.00 N ATOM 931 CZ ARG A 61 1.894 -18.556 4.327 1.00 0.00 C ATOM 932 NH1 ARG A 61 1.939 -19.334 5.400 1.00 0.00 N ATOM 933 NH2 ARG A 61 2.029 -19.091 3.120 1.00 0.00 N ATOM 0 H ARG A 61 4.506 -14.035 6.215 1.00 0.00 H new ATOM 0 HA ARG A 61 2.088 -12.430 6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.859 -15.128 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.262 -14.417 7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.854 -14.607 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.548 -14.868 4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.273 -16.992 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.563 -16.778 6.142 1.00 0.00 H new ATOM 0 HE ARG A 61 1.685 -16.677 3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.836 -18.927 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.077 -20.339 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.995 -18.496 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.166 -20.097 3.020 1.00 0.00 H new ATOM 947 N THR A 62 3.889 -11.543 8.377 1.00 0.00 N ATOM 948 CA THR A 62 4.165 -10.893 9.652 1.00 0.00 C ATOM 949 C THR A 62 4.355 -9.391 9.472 1.00 0.00 C ATOM 950 O THR A 62 4.554 -8.909 8.357 1.00 0.00 O ATOM 951 CB THR A 62 5.420 -11.481 10.324 1.00 0.00 C ATOM 952 OG1 THR A 62 6.578 -11.201 9.530 1.00 0.00 O ATOM 953 CG2 THR A 62 5.278 -12.984 10.510 1.00 0.00 C ATOM 0 H THR A 62 4.476 -11.225 7.606 1.00 0.00 H new ATOM 0 HA THR A 62 3.302 -11.074 10.292 1.00 0.00 H new ATOM 0 HB THR A 62 5.532 -11.017 11.304 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.372 -11.577 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.176 -13.378 10.986 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.412 -13.193 11.139 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.144 -13.460 9.539 1.00 0.00 H new ATOM 961 N CYS A 63 4.295 -8.655 10.578 1.00 0.00 N ATOM 962 CA CYS A 63 4.462 -7.207 10.543 1.00 0.00 C ATOM 963 C CYS A 63 5.931 -6.833 10.371 1.00 0.00 C ATOM 964 O CYS A 63 6.805 -7.295 11.104 1.00 0.00 O ATOM 965 CB CYS A 63 3.910 -6.579 11.825 1.00 0.00 C ATOM 966 SG CYS A 63 4.228 -4.791 11.972 1.00 0.00 S ATOM 0 H CYS A 63 4.132 -9.038 11.509 1.00 0.00 H new ATOM 0 HA CYS A 63 3.906 -6.822 9.689 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.834 -6.751 11.867 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.348 -7.087 12.684 1.00 0.00 H new ATOM 0 HG CYS A 63 4.885 -4.380 10.928 1.00 0.00 H new ATOM 971 N PRO A 64 6.210 -5.974 9.379 1.00 0.00 N ATOM 972 CA PRO A 64 7.572 -5.517 9.087 1.00 0.00 C ATOM 973 C PRO A 64 8.118 -4.595 10.171 1.00 0.00 C ATOM 974 O PRO A 64 9.167 -3.973 9.999 1.00 0.00 O ATOM 975 CB PRO A 64 7.416 -4.758 7.767 1.00 0.00 C ATOM 976 CG PRO A 64 5.995 -4.313 7.752 1.00 0.00 C ATOM 977 CD PRO A 64 5.217 -5.383 8.466 1.00 0.00 C ATOM 0 HA PRO A 64 8.278 -6.346 9.037 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.097 -3.909 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.640 -5.398 6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.883 -3.350 8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.637 -4.186 6.730 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.368 -4.968 9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.820 -6.123 7.771 1.00 0.00 H new ATOM 985 N ILE A 65 7.402 -4.511 11.287 1.00 0.00 N ATOM 986 CA ILE A 65 7.817 -3.665 12.399 1.00 0.00 C ATOM 987 C ILE A 65 8.038 -4.488 13.663 1.00 0.00 C ATOM 988 O ILE A 65 9.124 -4.478 14.242 1.00 0.00 O ATOM 989 CB ILE A 65 6.777 -2.567 12.690 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.494 -1.754 11.425 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.263 -1.661 13.811 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.647 -0.526 11.673 1.00 0.00 C ATOM 0 H ILE A 65 6.532 -5.019 11.445 1.00 0.00 H new ATOM 0 HA ILE A 65 8.756 -3.196 12.105 1.00 0.00 H new ATOM 0 HB ILE A 65 5.849 -3.041 13.009 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.441 -1.448 10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.991 -2.392 10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.517 -0.890 14.005 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.418 -2.251 14.714 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.202 -1.192 13.518 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.487 0.001 10.733 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.685 -0.825 12.090 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.158 0.132 12.376 1.00 0.00 H new ATOM 1004 N CYS A 66 7.000 -5.203 14.086 1.00 0.00 N ATOM 1005 CA CYS A 66 7.079 -6.034 15.281 1.00 0.00 C ATOM 1006 C CYS A 66 6.981 -7.514 14.922 1.00 0.00 C ATOM 1007 O CYS A 66 6.642 -8.346 15.764 1.00 0.00 O ATOM 1008 CB CYS A 66 5.966 -5.661 16.262 1.00 0.00 C ATOM 1009 SG CYS A 66 4.284 -5.889 15.600 1.00 0.00 S ATOM 0 H CYS A 66 6.094 -5.223 13.618 1.00 0.00 H new ATOM 0 HA CYS A 66 8.045 -5.856 15.753 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.075 -6.263 17.164 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.091 -4.619 16.557 1.00 0.00 H new ATOM 0 HG CYS A 66 4.258 -5.534 14.350 1.00 0.00 H new ATOM 1014 N ARG A 67 7.279 -7.834 13.667 1.00 0.00 N ATOM 1015 CA ARG A 67 7.224 -9.212 13.196 1.00 0.00 C ATOM 1016 C ARG A 67 6.058 -9.959 13.837 1.00 0.00 C ATOM 1017 O ARG A 67 6.116 -11.173 14.030 1.00 0.00 O ATOM 1018 CB ARG A 67 8.537 -9.933 13.506 1.00 0.00 C ATOM 1019 CG ARG A 67 9.610 -9.725 12.450 1.00 0.00 C ATOM 1020 CD ARG A 67 10.966 -10.219 12.929 1.00 0.00 C ATOM 1021 NE ARG A 67 11.866 -10.512 11.817 1.00 0.00 N ATOM 1022 CZ ARG A 67 13.182 -10.637 11.950 1.00 0.00 C ATOM 1023 NH1 ARG A 67 13.748 -10.496 13.140 1.00 0.00 N ATOM 1024 NH2 ARG A 67 13.935 -10.904 10.890 1.00 0.00 N ATOM 0 H ARG A 67 7.561 -7.157 12.958 1.00 0.00 H new ATOM 0 HA ARG A 67 7.073 -9.195 12.117 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.914 -9.586 14.468 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.341 -11.000 13.607 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.331 -10.252 11.538 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.675 -8.666 12.199 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.419 -9.466 13.573 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.832 -11.116 13.533 1.00 0.00 H new ATOM 0 HE ARG A 67 11.462 -10.627 10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.173 -10.291 13.957 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.759 -10.593 13.239 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.503 -11.013 9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.945 -11.000 10.993 1.00 0.00 H new ATOM 1038 N ALA A 68 5.000 -9.224 14.165 1.00 0.00 N ATOM 1039 CA ALA A 68 3.820 -9.817 14.782 1.00 0.00 C ATOM 1040 C ALA A 68 2.866 -10.367 13.727 1.00 0.00 C ATOM 1041 O ALA A 68 2.244 -9.608 12.983 1.00 0.00 O ATOM 1042 CB ALA A 68 3.111 -8.793 15.656 1.00 0.00 C ATOM 0 H ALA A 68 4.936 -8.217 14.014 1.00 0.00 H new ATOM 0 HA ALA A 68 4.146 -10.648 15.407 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.232 -9.249 16.111 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.788 -8.452 16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.804 -7.944 15.046 1.00 0.00 H new ATOM 1048 N ASP A 69 2.755 -11.689 13.668 1.00 0.00 N ATOM 1049 CA ASP A 69 1.876 -12.340 12.703 1.00 0.00 C ATOM 1050 C ASP A 69 0.565 -11.574 12.559 1.00 0.00 C ATOM 1051 O ASP A 69 -0.109 -11.286 13.548 1.00 0.00 O ATOM 1052 CB ASP A 69 1.594 -13.782 13.130 1.00 0.00 C ATOM 1053 CG ASP A 69 1.348 -14.698 11.948 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.232 -14.660 11.391 1.00 0.00 O ATOM 1055 OD2 ASP A 69 2.272 -15.454 11.580 1.00 0.00 O ATOM 0 H ASP A 69 3.262 -12.331 14.277 1.00 0.00 H new ATOM 0 HA ASP A 69 2.380 -12.347 11.737 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.438 -14.158 13.708 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.724 -13.800 13.787 1.00 0.00 H new ATOM 1060 N SER A 70 0.210 -11.246 11.321 1.00 0.00 N ATOM 1061 CA SER A 70 -1.018 -10.508 11.048 1.00 0.00 C ATOM 1062 C SER A 70 -2.208 -11.457 10.937 1.00 0.00 C ATOM 1063 O SER A 70 -3.359 -11.044 11.069 1.00 0.00 O ATOM 1064 CB SER A 70 -0.875 -9.698 9.758 1.00 0.00 C ATOM 1065 OG SER A 70 -0.241 -10.460 8.745 1.00 0.00 O ATOM 0 H SER A 70 0.755 -11.480 10.491 1.00 0.00 H new ATOM 0 HA SER A 70 -1.196 -9.826 11.879 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.859 -9.378 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.297 -8.795 9.954 1.00 0.00 H new ATOM 0 HG SER A 70 0.584 -10.011 8.466 1.00 0.00 H new