USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 289 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 36 CYS SG : rot 149:sc= 0.207 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -0.0292 (180deg=-0.224) USER MOD Single : A 54 TYR OH : rot -72:sc= 0.00407 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 83:sc= 0.535 USER MOD Single : A 58 MET CE :methyl -156:sc= -0.639 (180deg=-2.43!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 399 N LYS A 27 -2.745 2.763 -5.575 1.00 0.00 N ATOM 400 CA LYS A 27 -3.080 1.984 -6.763 1.00 0.00 C ATOM 401 C LYS A 27 -3.353 0.516 -6.414 1.00 0.00 C ATOM 402 O LYS A 27 -4.395 -0.022 -6.786 1.00 0.00 O ATOM 403 CB LYS A 27 -1.965 2.090 -7.809 1.00 0.00 C ATOM 404 CG LYS A 27 -1.744 3.505 -8.322 1.00 0.00 C ATOM 405 CD LYS A 27 -2.978 4.043 -9.030 1.00 0.00 C ATOM 406 CE LYS A 27 -2.768 5.469 -9.514 1.00 0.00 C ATOM 407 NZ LYS A 27 -3.998 6.030 -10.138 1.00 0.00 N ATOM 0 HA LYS A 27 -3.995 2.400 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.036 1.720 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.205 1.441 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.488 4.159 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.897 3.516 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.220 3.402 -9.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.831 4.010 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.468 6.097 -8.675 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.952 5.491 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.814 7.003 -10.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.271 5.446 -10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.770 6.033 -9.441 1.00 0.00 H new ATOM 421 N PRO A 28 -2.430 -0.160 -5.692 1.00 0.00 N ATOM 422 CA PRO A 28 -2.612 -1.566 -5.312 1.00 0.00 C ATOM 423 C PRO A 28 -3.636 -1.734 -4.192 1.00 0.00 C ATOM 424 O PRO A 28 -4.259 -2.790 -4.057 1.00 0.00 O ATOM 425 CB PRO A 28 -1.221 -1.982 -4.835 1.00 0.00 C ATOM 426 CG PRO A 28 -0.619 -0.724 -4.317 1.00 0.00 C ATOM 427 CD PRO A 28 -1.147 0.379 -5.192 1.00 0.00 C ATOM 0 HA PRO A 28 -2.993 -2.169 -6.136 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.278 -2.745 -4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.630 -2.400 -5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.893 -0.560 -3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.469 -0.767 -4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.291 1.302 -4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.462 0.606 -6.009 1.00 0.00 H new ATOM 435 N GLU A 29 -3.803 -0.684 -3.393 1.00 0.00 N ATOM 436 CA GLU A 29 -4.746 -0.701 -2.286 1.00 0.00 C ATOM 437 C GLU A 29 -6.172 -0.907 -2.785 1.00 0.00 C ATOM 438 O GLU A 29 -7.020 -1.442 -2.070 1.00 0.00 O ATOM 439 CB GLU A 29 -4.644 0.608 -1.503 1.00 0.00 C ATOM 440 CG GLU A 29 -3.517 0.624 -0.481 1.00 0.00 C ATOM 441 CD GLU A 29 -2.157 0.381 -1.105 1.00 0.00 C ATOM 442 OE1 GLU A 29 -1.519 1.362 -1.540 1.00 0.00 O ATOM 443 OE2 GLU A 29 -1.729 -0.792 -1.156 1.00 0.00 O ATOM 0 H GLU A 29 -3.293 0.193 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.496 -1.535 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.498 1.430 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.589 0.789 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.510 1.586 0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.707 -0.138 0.275 1.00 0.00 H new ATOM 450 N LYS A 30 -6.431 -0.480 -4.018 1.00 0.00 N ATOM 451 CA LYS A 30 -7.754 -0.622 -4.614 1.00 0.00 C ATOM 452 C LYS A 30 -8.041 -2.082 -4.946 1.00 0.00 C ATOM 453 O LYS A 30 -9.156 -2.565 -4.754 1.00 0.00 O ATOM 454 CB LYS A 30 -7.865 0.232 -5.881 1.00 0.00 C ATOM 455 CG LYS A 30 -7.755 1.727 -5.623 1.00 0.00 C ATOM 456 CD LYS A 30 -7.829 2.519 -6.918 1.00 0.00 C ATOM 457 CE LYS A 30 -7.783 4.016 -6.658 1.00 0.00 C ATOM 458 NZ LYS A 30 -7.834 4.802 -7.921 1.00 0.00 N ATOM 0 H LYS A 30 -5.742 -0.033 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.491 -0.277 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.082 -0.066 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.819 0.025 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.557 2.043 -4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.814 1.942 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.000 2.236 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.748 2.268 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.620 4.299 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.871 4.262 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.800 5.818 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.021 4.551 -8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.716 4.587 -8.428 1.00 0.00 H new ATOM 472 N GLU A 31 -7.024 -2.781 -5.442 1.00 0.00 N ATOM 473 CA GLU A 31 -7.165 -4.188 -5.799 1.00 0.00 C ATOM 474 C GLU A 31 -7.368 -5.048 -4.558 1.00 0.00 C ATOM 475 O GLU A 31 -8.203 -5.951 -4.548 1.00 0.00 O ATOM 476 CB GLU A 31 -5.935 -4.671 -6.571 1.00 0.00 C ATOM 477 CG GLU A 31 -5.884 -4.181 -8.010 1.00 0.00 C ATOM 478 CD GLU A 31 -5.658 -2.685 -8.112 1.00 0.00 C ATOM 479 OE1 GLU A 31 -6.653 -1.931 -8.087 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.485 -2.270 -8.222 1.00 0.00 O ATOM 0 H GLU A 31 -6.094 -2.396 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.045 -4.285 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.037 -4.338 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.920 -5.761 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.085 -4.702 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.818 -4.438 -8.510 1.00 0.00 H new ATOM 487 N GLU A 32 -6.598 -4.762 -3.511 1.00 0.00 N ATOM 488 CA GLU A 32 -6.695 -5.514 -2.264 1.00 0.00 C ATOM 489 C GLU A 32 -8.058 -5.315 -1.604 1.00 0.00 C ATOM 490 O GLU A 32 -8.738 -6.283 -1.259 1.00 0.00 O ATOM 491 CB GLU A 32 -5.586 -5.091 -1.300 1.00 0.00 C ATOM 492 CG GLU A 32 -4.185 -5.380 -1.815 1.00 0.00 C ATOM 493 CD GLU A 32 -3.945 -6.859 -2.052 1.00 0.00 C ATOM 494 OE1 GLU A 32 -3.731 -7.591 -1.064 1.00 0.00 O ATOM 495 OE2 GLU A 32 -3.971 -7.283 -3.227 1.00 0.00 O ATOM 0 H GLU A 32 -5.902 -4.017 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.580 -6.571 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.677 -4.023 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.727 -5.605 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.024 -4.836 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.454 -5.007 -1.098 1.00 0.00 H new ATOM 502 N ARG A 33 -8.449 -4.057 -1.431 1.00 0.00 N ATOM 503 CA ARG A 33 -9.727 -3.727 -0.806 1.00 0.00 C ATOM 504 C ARG A 33 -10.896 -4.361 -1.559 1.00 0.00 C ATOM 505 O ARG A 33 -11.759 -4.997 -0.955 1.00 0.00 O ATOM 506 CB ARG A 33 -9.910 -2.209 -0.745 1.00 0.00 C ATOM 507 CG ARG A 33 -11.164 -1.775 -0.001 1.00 0.00 C ATOM 508 CD ARG A 33 -11.358 -0.268 -0.070 1.00 0.00 C ATOM 509 NE ARG A 33 -11.531 0.199 -1.443 1.00 0.00 N ATOM 510 CZ ARG A 33 -11.784 1.465 -1.767 1.00 0.00 C ATOM 511 NH1 ARG A 33 -11.889 2.387 -0.818 1.00 0.00 N ATOM 512 NH2 ARG A 33 -11.932 1.809 -3.038 1.00 0.00 N ATOM 0 H ARG A 33 -7.899 -3.247 -1.715 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.716 -4.131 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.039 -1.766 -0.262 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.946 -1.815 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.033 -2.275 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.097 -2.087 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.230 0.013 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.497 0.229 0.376 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.454 -0.484 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.776 2.126 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.083 3.357 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.852 1.103 -3.770 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.126 2.780 -3.284 1.00 0.00 H new ATOM 526 N ASP A 34 -10.916 -4.183 -2.876 1.00 0.00 N ATOM 527 CA ASP A 34 -11.984 -4.733 -3.707 1.00 0.00 C ATOM 528 C ASP A 34 -12.056 -6.252 -3.580 1.00 0.00 C ATOM 529 O ASP A 34 -13.137 -6.817 -3.410 1.00 0.00 O ATOM 530 CB ASP A 34 -11.771 -4.345 -5.171 1.00 0.00 C ATOM 531 CG ASP A 34 -12.920 -4.785 -6.058 1.00 0.00 C ATOM 532 OD1 ASP A 34 -12.903 -5.945 -6.521 1.00 0.00 O ATOM 533 OD2 ASP A 34 -13.837 -3.968 -6.289 1.00 0.00 O ATOM 0 H ASP A 34 -10.206 -3.663 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.928 -4.314 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.652 -3.264 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.845 -4.792 -5.532 1.00 0.00 H new ATOM 538 N THR A 35 -10.902 -6.906 -3.662 1.00 0.00 N ATOM 539 CA THR A 35 -10.838 -8.361 -3.559 1.00 0.00 C ATOM 540 C THR A 35 -11.396 -8.846 -2.224 1.00 0.00 C ATOM 541 O THR A 35 -12.043 -9.890 -2.157 1.00 0.00 O ATOM 542 CB THR A 35 -9.394 -8.873 -3.721 1.00 0.00 C ATOM 543 OG1 THR A 35 -8.867 -8.464 -4.989 1.00 0.00 O ATOM 544 CG2 THR A 35 -9.338 -10.390 -3.613 1.00 0.00 C ATOM 0 H THR A 35 -9.999 -6.453 -3.799 1.00 0.00 H new ATOM 0 HA THR A 35 -11.449 -8.762 -4.368 1.00 0.00 H new ATOM 0 HB THR A 35 -8.792 -8.445 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.839 -7.485 -5.031 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.308 -10.725 -3.731 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.711 -10.699 -2.637 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.955 -10.833 -4.394 1.00 0.00 H new ATOM 552 N CYS A 36 -11.140 -8.084 -1.165 1.00 0.00 N ATOM 553 CA CYS A 36 -11.619 -8.442 0.166 1.00 0.00 C ATOM 554 C CYS A 36 -13.139 -8.344 0.245 1.00 0.00 C ATOM 555 O CYS A 36 -13.813 -9.297 0.639 1.00 0.00 O ATOM 556 CB CYS A 36 -10.986 -7.536 1.223 1.00 0.00 C ATOM 557 SG CYS A 36 -11.480 -7.926 2.917 1.00 0.00 S ATOM 0 H CYS A 36 -10.605 -7.217 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.328 -9.474 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.901 -7.608 1.146 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.253 -6.501 1.007 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.508 -7.636 3.730 1.00 0.00 H new ATOM 563 N ILE A 37 -13.671 -7.186 -0.131 1.00 0.00 N ATOM 564 CA ILE A 37 -15.111 -6.957 -0.102 1.00 0.00 C ATOM 565 C ILE A 37 -15.839 -7.913 -1.045 1.00 0.00 C ATOM 566 O ILE A 37 -17.020 -8.205 -0.859 1.00 0.00 O ATOM 567 CB ILE A 37 -15.453 -5.503 -0.487 1.00 0.00 C ATOM 568 CG1 ILE A 37 -14.650 -4.523 0.373 1.00 0.00 C ATOM 569 CG2 ILE A 37 -16.946 -5.250 -0.334 1.00 0.00 C ATOM 570 CD1 ILE A 37 -14.815 -3.075 -0.038 1.00 0.00 C ATOM 0 H ILE A 37 -13.125 -6.390 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.444 -7.141 0.919 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.184 -5.347 -1.532 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.955 -4.633 1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.594 -4.788 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.171 -4.220 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -17.498 -5.928 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -17.240 -5.421 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -14.217 -2.441 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.483 -2.949 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -15.864 -2.791 0.042 1.00 0.00 H new ATOM 582 N LEU A 38 -15.124 -8.400 -2.055 1.00 0.00 N ATOM 583 CA LEU A 38 -15.705 -9.319 -3.029 1.00 0.00 C ATOM 584 C LEU A 38 -15.609 -10.767 -2.552 1.00 0.00 C ATOM 585 O LEU A 38 -16.462 -11.593 -2.878 1.00 0.00 O ATOM 586 CB LEU A 38 -15.004 -9.167 -4.381 1.00 0.00 C ATOM 587 CG LEU A 38 -15.594 -10.005 -5.517 1.00 0.00 C ATOM 588 CD1 LEU A 38 -17.043 -9.619 -5.774 1.00 0.00 C ATOM 589 CD2 LEU A 38 -14.766 -9.838 -6.780 1.00 0.00 C ATOM 0 H LEU A 38 -14.143 -8.174 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.760 -9.068 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.034 -8.117 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.954 -9.435 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.569 -11.054 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.443 -10.227 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.630 -9.787 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.096 -8.566 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.197 -10.440 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.762 -8.789 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.744 -10.165 -6.591 1.00 0.00 H new ATOM 601 N PHE A 39 -14.568 -11.069 -1.781 1.00 0.00 N ATOM 602 CA PHE A 39 -14.365 -12.420 -1.268 1.00 0.00 C ATOM 603 C PHE A 39 -15.179 -12.649 0.003 1.00 0.00 C ATOM 604 O PHE A 39 -16.127 -13.434 0.010 1.00 0.00 O ATOM 605 CB PHE A 39 -12.881 -12.665 -0.987 1.00 0.00 C ATOM 606 CG PHE A 39 -12.527 -14.119 -0.848 1.00 0.00 C ATOM 607 CD1 PHE A 39 -12.184 -14.869 -1.962 1.00 0.00 C ATOM 608 CD2 PHE A 39 -12.535 -14.733 0.394 1.00 0.00 C ATOM 609 CE1 PHE A 39 -11.857 -16.206 -1.839 1.00 0.00 C ATOM 610 CE2 PHE A 39 -12.208 -16.070 0.522 1.00 0.00 C ATOM 611 CZ PHE A 39 -11.869 -16.807 -0.596 1.00 0.00 C ATOM 0 H PHE A 39 -13.854 -10.398 -1.498 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.705 -13.124 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.291 -12.231 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.602 -12.143 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.172 -14.404 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.799 -14.161 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.592 -16.780 -2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.218 -16.538 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.614 -17.852 -0.498 1.00 0.00 H new ATOM 621 N ASN A 40 -14.803 -11.957 1.074 1.00 0.00 N ATOM 622 CA ASN A 40 -15.500 -12.083 2.350 1.00 0.00 C ATOM 623 C ASN A 40 -16.840 -11.357 2.313 1.00 0.00 C ATOM 624 O ASN A 40 -17.886 -11.952 2.568 1.00 0.00 O ATOM 625 CB ASN A 40 -14.641 -11.530 3.485 1.00 0.00 C ATOM 626 CG ASN A 40 -13.371 -12.330 3.696 1.00 0.00 C ATOM 627 OD1 ASN A 40 -13.347 -13.283 4.475 1.00 0.00 O ATOM 628 ND2 ASN A 40 -12.306 -11.949 3.000 1.00 0.00 N ATOM 0 H ASN A 40 -14.020 -11.303 1.084 1.00 0.00 H new ATOM 0 HA ASN A 40 -15.685 -13.142 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -14.382 -10.494 3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.222 -11.527 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.424 -12.452 3.100 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.370 -11.153 2.365 1.00 0.00 H new ATOM 635 N GLY A 41 -16.800 -10.067 1.993 1.00 0.00 N ATOM 636 CA GLY A 41 -18.019 -9.282 1.929 1.00 0.00 C ATOM 637 C GLY A 41 -17.874 -7.922 2.585 1.00 0.00 C ATOM 638 O GLY A 41 -16.764 -7.415 2.741 1.00 0.00 O ATOM 0 H GLY A 41 -15.946 -9.552 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.306 -9.149 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.826 -9.831 2.415 1.00 0.00 H new ATOM 642 N GLN A 42 -19.002 -7.335 2.972 1.00 0.00 N ATOM 643 CA GLN A 42 -19.005 -6.025 3.614 1.00 0.00 C ATOM 644 C GLN A 42 -19.509 -6.125 5.049 1.00 0.00 C ATOM 645 O GLN A 42 -19.219 -5.266 5.883 1.00 0.00 O ATOM 646 CB GLN A 42 -19.879 -5.052 2.820 1.00 0.00 C ATOM 647 CG GLN A 42 -19.867 -3.634 3.366 1.00 0.00 C ATOM 648 CD GLN A 42 -20.784 -2.705 2.594 1.00 0.00 C ATOM 649 OE1 GLN A 42 -20.372 -2.077 1.619 1.00 0.00 O ATOM 650 NE2 GLN A 42 -22.035 -2.613 3.030 1.00 0.00 N ATOM 0 H GLN A 42 -19.927 -7.747 2.852 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.981 -5.652 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -19.540 -5.036 1.784 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -20.905 -5.421 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -20.169 -3.649 4.413 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -18.850 -3.244 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -22.333 -3.153 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -22.698 -2.003 2.552 1.00 0.00 H new ATOM 659 N ASP A 43 -20.267 -7.180 5.331 1.00 0.00 N ATOM 660 CA ASP A 43 -20.814 -7.397 6.664 1.00 0.00 C ATOM 661 C ASP A 43 -19.737 -7.882 7.628 1.00 0.00 C ATOM 662 O ASP A 43 -20.002 -8.103 8.810 1.00 0.00 O ATOM 663 CB ASP A 43 -21.957 -8.412 6.608 1.00 0.00 C ATOM 664 CG ASP A 43 -21.516 -9.745 6.035 1.00 0.00 C ATOM 665 OD1 ASP A 43 -20.978 -10.572 6.801 1.00 0.00 O ATOM 666 OD2 ASP A 43 -21.708 -9.962 4.819 1.00 0.00 O ATOM 0 H ASP A 43 -20.516 -7.899 4.652 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.197 -6.444 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.354 -8.564 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -22.768 -8.009 6.002 1.00 0.00 H new ATOM 719 N CYS A 47 -12.694 -7.162 7.601 1.00 0.00 N ATOM 720 CA CYS A 47 -12.437 -6.597 6.281 1.00 0.00 C ATOM 721 C CYS A 47 -12.141 -5.103 6.372 1.00 0.00 C ATOM 722 O CYS A 47 -11.663 -4.496 5.413 1.00 0.00 O ATOM 723 CB CYS A 47 -13.638 -6.833 5.363 1.00 0.00 C ATOM 724 SG CYS A 47 -15.124 -5.924 5.846 1.00 0.00 S ATOM 0 HA CYS A 47 -11.562 -7.096 5.865 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.366 -6.550 4.346 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -13.866 -7.899 5.347 1.00 0.00 H new ATOM 0 HG CYS A 47 -16.084 -6.186 5.010 1.00 0.00 H new ATOM 730 N LYS A 48 -12.426 -4.515 7.530 1.00 0.00 N ATOM 731 CA LYS A 48 -12.189 -3.092 7.745 1.00 0.00 C ATOM 732 C LYS A 48 -10.695 -2.786 7.793 1.00 0.00 C ATOM 733 O LYS A 48 -10.291 -1.624 7.773 1.00 0.00 O ATOM 734 CB LYS A 48 -12.860 -2.630 9.040 1.00 0.00 C ATOM 735 CG LYS A 48 -14.363 -2.857 9.060 1.00 0.00 C ATOM 736 CD LYS A 48 -14.984 -2.388 10.367 1.00 0.00 C ATOM 737 CE LYS A 48 -16.483 -2.638 10.393 1.00 0.00 C ATOM 738 NZ LYS A 48 -17.113 -2.127 11.642 1.00 0.00 N ATOM 0 H LYS A 48 -12.822 -5.002 8.334 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.623 -2.549 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.410 -3.157 9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.659 -1.569 9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.823 -2.325 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.573 -3.917 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.513 -2.907 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.789 -1.324 10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.946 -2.157 9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.674 -3.707 10.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.135 -2.318 11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.690 -2.604 12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.954 -1.102 11.717 1.00 0.00 H new ATOM 752 N GLU A 49 -9.879 -3.836 7.857 1.00 0.00 N ATOM 753 CA GLU A 49 -8.429 -3.675 7.906 1.00 0.00 C ATOM 754 C GLU A 49 -7.914 -3.024 6.626 1.00 0.00 C ATOM 755 O GLU A 49 -7.170 -2.042 6.671 1.00 0.00 O ATOM 756 CB GLU A 49 -7.751 -5.032 8.107 1.00 0.00 C ATOM 757 CG GLU A 49 -6.242 -4.943 8.276 1.00 0.00 C ATOM 758 CD GLU A 49 -5.591 -6.305 8.417 1.00 0.00 C ATOM 759 OE1 GLU A 49 -5.585 -6.846 9.543 1.00 0.00 O ATOM 760 OE2 GLU A 49 -5.085 -6.830 7.403 1.00 0.00 O ATOM 0 H GLU A 49 -10.197 -4.805 7.876 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.187 -3.027 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.178 -5.515 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.975 -5.670 7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.814 -4.427 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.013 -4.342 9.156 1.00 0.00 H new ATOM 767 N PHE A 50 -8.319 -3.576 5.486 1.00 0.00 N ATOM 768 CA PHE A 50 -7.903 -3.051 4.191 1.00 0.00 C ATOM 769 C PHE A 50 -8.391 -1.619 4.006 1.00 0.00 C ATOM 770 O PHE A 50 -7.688 -0.782 3.440 1.00 0.00 O ATOM 771 CB PHE A 50 -8.432 -3.939 3.062 1.00 0.00 C ATOM 772 CG PHE A 50 -7.882 -5.337 3.088 1.00 0.00 C ATOM 773 CD1 PHE A 50 -6.693 -5.639 2.443 1.00 0.00 C ATOM 774 CD2 PHE A 50 -8.553 -6.348 3.756 1.00 0.00 C ATOM 775 CE1 PHE A 50 -6.185 -6.924 2.464 1.00 0.00 C ATOM 776 CE2 PHE A 50 -8.050 -7.635 3.779 1.00 0.00 C ATOM 777 CZ PHE A 50 -6.864 -7.924 3.133 1.00 0.00 C ATOM 0 H PHE A 50 -8.935 -4.387 5.434 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.814 -3.050 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.519 -3.984 3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -8.188 -3.479 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.158 -4.862 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.480 -6.128 4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.257 -7.146 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.584 -8.414 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.469 -8.929 3.151 1.00 0.00 H new ATOM 787 N ILE A 51 -9.600 -1.344 4.488 1.00 0.00 N ATOM 788 CA ILE A 51 -10.178 -0.009 4.380 1.00 0.00 C ATOM 789 C ILE A 51 -9.334 1.009 5.139 1.00 0.00 C ATOM 790 O ILE A 51 -9.023 2.081 4.622 1.00 0.00 O ATOM 791 CB ILE A 51 -11.622 0.027 4.922 1.00 0.00 C ATOM 792 CG1 ILE A 51 -12.467 -1.062 4.256 1.00 0.00 C ATOM 793 CG2 ILE A 51 -12.240 1.399 4.692 1.00 0.00 C ATOM 794 CD1 ILE A 51 -13.855 -1.201 4.844 1.00 0.00 C ATOM 0 H ILE A 51 -10.197 -2.026 4.956 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.194 0.248 3.321 1.00 0.00 H new ATOM 0 HB ILE A 51 -11.597 -0.164 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.553 -0.842 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.948 -2.016 4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.259 1.409 5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.648 2.156 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.256 1.616 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.394 -1.991 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.779 -1.452 5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.393 -0.260 4.732 1.00 0.00 H new ATOM 806 N GLU A 52 -8.966 0.663 6.371 1.00 0.00 N ATOM 807 CA GLU A 52 -8.152 1.542 7.200 1.00 0.00 C ATOM 808 C GLU A 52 -6.809 1.814 6.534 1.00 0.00 C ATOM 809 O GLU A 52 -6.303 2.937 6.570 1.00 0.00 O ATOM 810 CB GLU A 52 -7.935 0.926 8.584 1.00 0.00 C ATOM 811 CG GLU A 52 -9.199 0.863 9.425 1.00 0.00 C ATOM 812 CD GLU A 52 -8.972 0.202 10.771 1.00 0.00 C ATOM 813 OE1 GLU A 52 -8.529 0.899 11.708 1.00 0.00 O ATOM 814 OE2 GLU A 52 -9.236 -1.014 10.887 1.00 0.00 O ATOM 0 H GLU A 52 -9.220 -0.220 6.815 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.683 2.487 7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.536 -0.082 8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.182 1.506 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.579 1.873 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.967 0.314 8.880 1.00 0.00 H new ATOM 821 N LYS A 53 -6.235 0.779 5.927 1.00 0.00 N ATOM 822 CA LYS A 53 -4.954 0.909 5.243 1.00 0.00 C ATOM 823 C LYS A 53 -5.049 1.933 4.115 1.00 0.00 C ATOM 824 O LYS A 53 -4.188 2.801 3.976 1.00 0.00 O ATOM 825 CB LYS A 53 -4.509 -0.444 4.692 1.00 0.00 C ATOM 826 CG LYS A 53 -3.264 -0.372 3.821 1.00 0.00 C ATOM 827 CD LYS A 53 -2.908 -1.734 3.247 1.00 0.00 C ATOM 828 CE LYS A 53 -1.670 -1.661 2.369 1.00 0.00 C ATOM 829 NZ LYS A 53 -0.475 -1.197 3.127 1.00 0.00 N ATOM 0 H LYS A 53 -6.637 -0.158 5.895 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.213 1.256 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.320 -1.121 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.324 -0.875 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.427 0.335 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.428 0.006 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.738 -2.440 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.747 -2.115 2.664 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.470 -2.644 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.856 -0.984 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.383 -1.384 2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.554 -0.176 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.419 -1.706 4.032 1.00 0.00 H new ATOM 843 N TYR A 54 -6.103 1.821 3.312 1.00 0.00 N ATOM 844 CA TYR A 54 -6.320 2.737 2.197 1.00 0.00 C ATOM 845 C TYR A 54 -6.616 4.146 2.702 1.00 0.00 C ATOM 846 O TYR A 54 -6.320 5.134 2.030 1.00 0.00 O ATOM 847 CB TYR A 54 -7.477 2.238 1.323 1.00 0.00 C ATOM 848 CG TYR A 54 -7.964 3.251 0.310 1.00 0.00 C ATOM 849 CD1 TYR A 54 -7.274 3.467 -0.877 1.00 0.00 C ATOM 850 CD2 TYR A 54 -9.113 3.995 0.547 1.00 0.00 C ATOM 851 CE1 TYR A 54 -7.716 4.396 -1.799 1.00 0.00 C ATOM 852 CE2 TYR A 54 -9.561 4.926 -0.372 1.00 0.00 C ATOM 853 CZ TYR A 54 -8.860 5.123 -1.542 1.00 0.00 C ATOM 854 OH TYR A 54 -9.303 6.050 -2.457 1.00 0.00 O ATOM 0 H TYR A 54 -6.821 1.104 3.413 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.409 2.771 1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.160 1.337 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.309 1.954 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.378 2.900 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.665 3.844 1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.169 4.552 -2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.456 5.496 -0.174 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.706 6.827 -2.450 1.00 0.00 H new ATOM 864 N LYS A 55 -7.198 4.228 3.894 1.00 0.00 N ATOM 865 CA LYS A 55 -7.546 5.512 4.491 1.00 0.00 C ATOM 866 C LYS A 55 -6.297 6.288 4.903 1.00 0.00 C ATOM 867 O LYS A 55 -6.125 7.449 4.530 1.00 0.00 O ATOM 868 CB LYS A 55 -8.457 5.300 5.700 1.00 0.00 C ATOM 869 CG LYS A 55 -9.088 6.581 6.222 1.00 0.00 C ATOM 870 CD LYS A 55 -10.114 6.299 7.309 1.00 0.00 C ATOM 871 CE LYS A 55 -9.457 5.781 8.579 1.00 0.00 C ATOM 872 NZ LYS A 55 -10.450 5.557 9.665 1.00 0.00 N ATOM 0 H LYS A 55 -7.439 3.419 4.466 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.076 6.100 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.248 4.600 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.881 4.837 6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.311 7.236 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.566 7.113 5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.669 7.210 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.836 5.567 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.937 4.847 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.705 6.494 8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.963 5.204 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.929 6.453 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.153 4.857 9.353 1.00 0.00 H new ATOM 886 N GLU A 56 -5.425 5.641 5.673 1.00 0.00 N ATOM 887 CA GLU A 56 -4.197 6.277 6.137 1.00 0.00 C ATOM 888 C GLU A 56 -3.262 6.590 4.970 1.00 0.00 C ATOM 889 O GLU A 56 -2.634 7.648 4.937 1.00 0.00 O ATOM 890 CB GLU A 56 -3.484 5.385 7.157 1.00 0.00 C ATOM 891 CG GLU A 56 -3.161 3.994 6.638 1.00 0.00 C ATOM 892 CD GLU A 56 -2.457 3.135 7.671 1.00 0.00 C ATOM 893 OE1 GLU A 56 -3.153 2.492 8.484 1.00 0.00 O ATOM 894 OE2 GLU A 56 -1.208 3.107 7.666 1.00 0.00 O ATOM 0 H GLU A 56 -5.547 4.678 5.988 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.469 7.217 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.559 5.871 7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.109 5.295 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.083 3.502 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.533 4.078 5.751 1.00 0.00 H new ATOM 901 N CYS A 57 -3.176 5.666 4.016 1.00 0.00 N ATOM 902 CA CYS A 57 -2.317 5.851 2.850 1.00 0.00 C ATOM 903 C CYS A 57 -2.752 7.070 2.043 1.00 0.00 C ATOM 904 O CYS A 57 -1.943 7.951 1.749 1.00 0.00 O ATOM 905 CB CYS A 57 -2.340 4.603 1.965 1.00 0.00 C ATOM 906 SG CYS A 57 -1.509 3.169 2.691 1.00 0.00 S ATOM 0 H CYS A 57 -3.689 4.784 4.027 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.299 6.015 3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.376 4.340 1.752 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.869 4.838 1.011 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.323 2.560 3.501 1.00 0.00 H new ATOM 912 N MET A 58 -4.034 7.116 1.690 1.00 0.00 N ATOM 913 CA MET A 58 -4.577 8.232 0.921 1.00 0.00 C ATOM 914 C MET A 58 -4.431 9.539 1.696 1.00 0.00 C ATOM 915 O MET A 58 -4.224 10.601 1.109 1.00 0.00 O ATOM 916 CB MET A 58 -6.051 7.979 0.591 1.00 0.00 C ATOM 917 CG MET A 58 -6.692 9.080 -0.239 1.00 0.00 C ATOM 918 SD MET A 58 -6.719 8.705 -2.004 1.00 0.00 S ATOM 919 CE MET A 58 -4.975 8.795 -2.406 1.00 0.00 C ATOM 0 H MET A 58 -4.716 6.394 1.924 1.00 0.00 H new ATOM 0 HA MET A 58 -4.015 8.315 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.136 7.035 0.053 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.608 7.867 1.521 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.712 9.242 0.108 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.149 10.011 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.857 9.012 -3.468 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.507 9.586 -1.820 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.499 7.842 -2.176 1.00 0.00 H new ATOM 929 N LYS A 59 -4.541 9.450 3.018 1.00 0.00 N ATOM 930 CA LYS A 59 -4.418 10.622 3.877 1.00 0.00 C ATOM 931 C LYS A 59 -3.012 11.211 3.797 1.00 0.00 C ATOM 932 O LYS A 59 -2.840 12.429 3.752 1.00 0.00 O ATOM 933 CB LYS A 59 -4.747 10.255 5.325 1.00 0.00 C ATOM 934 CG LYS A 59 -4.634 11.421 6.295 1.00 0.00 C ATOM 935 CD LYS A 59 -5.657 12.504 5.991 1.00 0.00 C ATOM 936 CE LYS A 59 -5.541 13.664 6.966 1.00 0.00 C ATOM 937 NZ LYS A 59 -6.534 14.735 6.676 1.00 0.00 N ATOM 0 H LYS A 59 -4.715 8.578 3.517 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.127 11.373 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.761 9.856 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.077 9.459 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.776 11.062 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.630 11.843 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.514 12.866 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.661 12.083 6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.687 13.299 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.534 14.080 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.422 15.508 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.379 15.101 5.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.496 14.345 6.747 1.00 0.00 H new ATOM 951 N GLY A 60 -2.010 10.337 3.780 1.00 0.00 N ATOM 952 CA GLY A 60 -0.632 10.787 3.710 1.00 0.00 C ATOM 953 C GLY A 60 -0.237 11.234 2.316 1.00 0.00 C ATOM 954 O GLY A 60 0.577 12.143 2.156 1.00 0.00 O ATOM 0 H GLY A 60 -2.128 9.324 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.487 11.612 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.027 9.980 4.030 1.00 0.00 H new ATOM 958 N TYR A 61 -0.812 10.589 1.306 1.00 0.00 N ATOM 959 CA TYR A 61 -0.522 10.922 -0.082 1.00 0.00 C ATOM 960 C TYR A 61 -0.838 12.388 -0.371 1.00 0.00 C ATOM 961 O TYR A 61 -0.151 13.036 -1.161 1.00 0.00 O ATOM 962 CB TYR A 61 -1.322 10.015 -1.019 1.00 0.00 C ATOM 963 CG TYR A 61 -1.167 10.360 -2.481 1.00 0.00 C ATOM 964 CD1 TYR A 61 0.060 10.226 -3.120 1.00 0.00 C ATOM 965 CD2 TYR A 61 -2.246 10.822 -3.222 1.00 0.00 C ATOM 966 CE1 TYR A 61 0.205 10.544 -4.457 1.00 0.00 C ATOM 967 CE2 TYR A 61 -2.109 11.140 -4.560 1.00 0.00 C ATOM 968 CZ TYR A 61 -0.881 10.999 -5.171 1.00 0.00 C ATOM 969 OH TYR A 61 -0.741 11.317 -6.503 1.00 0.00 O ATOM 0 H TYR A 61 -1.484 9.830 1.425 1.00 0.00 H new ATOM 0 HA TYR A 61 0.542 10.763 -0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.010 8.982 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.377 10.072 -0.752 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.913 9.868 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.208 10.935 -2.745 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.165 10.436 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.959 11.497 -5.123 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.602 11.621 -6.859 1.00 0.00 H new ATOM 979 N GLY A 62 -1.881 12.905 0.274 1.00 0.00 N ATOM 980 CA GLY A 62 -2.265 14.291 0.073 1.00 0.00 C ATOM 981 C GLY A 62 -3.602 14.433 -0.628 1.00 0.00 C ATOM 982 O GLY A 62 -3.768 15.294 -1.492 1.00 0.00 O ATOM 0 H GLY A 62 -2.466 12.389 0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.311 14.795 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.497 14.795 -0.513 1.00 0.00 H new ATOM 986 N PHE A 63 -4.558 13.588 -0.253 1.00 0.00 N ATOM 987 CA PHE A 63 -5.887 13.622 -0.851 1.00 0.00 C ATOM 988 C PHE A 63 -6.925 13.055 0.112 1.00 0.00 C ATOM 989 O PHE A 63 -6.679 12.051 0.781 1.00 0.00 O ATOM 990 CB PHE A 63 -5.896 12.831 -2.162 1.00 0.00 C ATOM 991 CG PHE A 63 -7.155 13.007 -2.965 1.00 0.00 C ATOM 992 CD1 PHE A 63 -7.365 14.161 -3.704 1.00 0.00 C ATOM 993 CD2 PHE A 63 -8.124 12.018 -2.982 1.00 0.00 C ATOM 994 CE1 PHE A 63 -8.521 14.323 -4.445 1.00 0.00 C ATOM 995 CE2 PHE A 63 -9.282 12.175 -3.720 1.00 0.00 C ATOM 996 CZ PHE A 63 -9.480 13.330 -4.453 1.00 0.00 C ATOM 0 H PHE A 63 -4.436 12.871 0.463 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.143 14.660 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.043 13.138 -2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.763 11.772 -1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.618 14.941 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.973 11.113 -2.412 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.674 15.226 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.031 11.397 -3.724 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.384 13.455 -5.031 1.00 0.00 H new ATOM 1006 N GLU A 64 -8.083 13.705 0.182 1.00 0.00 N ATOM 1007 CA GLU A 64 -9.155 13.263 1.070 1.00 0.00 C ATOM 1008 C GLU A 64 -9.644 11.870 0.687 1.00 0.00 C ATOM 1009 O GLU A 64 -9.161 11.273 -0.274 1.00 0.00 O ATOM 1010 CB GLU A 64 -10.324 14.252 1.033 1.00 0.00 C ATOM 1011 CG GLU A 64 -10.007 15.600 1.664 1.00 0.00 C ATOM 1012 CD GLU A 64 -8.961 16.378 0.889 1.00 0.00 C ATOM 1013 OE1 GLU A 64 -9.334 17.078 -0.075 1.00 0.00 O ATOM 1014 OE2 GLU A 64 -7.767 16.287 1.247 1.00 0.00 O ATOM 0 H GLU A 64 -8.303 14.538 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.754 13.223 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.624 14.408 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.177 13.811 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.921 16.191 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.657 15.445 2.685 1.00 0.00 H new ATOM 1021 N VAL A 65 -10.602 11.353 1.449 1.00 0.00 N ATOM 1022 CA VAL A 65 -11.154 10.030 1.183 1.00 0.00 C ATOM 1023 C VAL A 65 -12.654 10.111 0.894 1.00 0.00 C ATOM 1024 O VAL A 65 -13.478 9.842 1.768 1.00 0.00 O ATOM 1025 CB VAL A 65 -10.915 9.069 2.366 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -11.368 7.659 2.014 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -9.449 9.078 2.774 1.00 0.00 C ATOM 0 H VAL A 65 -11.011 11.828 2.253 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.638 9.641 0.305 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.508 9.414 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.191 6.997 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.432 7.667 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.806 7.301 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.300 8.394 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.835 8.761 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.161 10.086 3.074 1.00 0.00 H new