USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 96 SER OG : rot -59:sc= -1.97 USER MOD Set 1.2: A 120 THR OG1 : rot -166:sc= 1.44 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -6:sc= 0.977 USER MOD Single : A 49 GLN : amide:sc=-0.000728 X(o=-0.00073,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.552 K(o=-0.55,f=-2.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.11) USER MOD Single : A 64 THR OG1 : rot 160:sc= -2.26 USER MOD Single : A 65 HIS :FLIP no HD1:sc= -0.576 F(o=-1.8,f=-0.58) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -130:sc= 0.429 USER MOD Single : A 103 THR OG1 : rot 180:sc= -1 USER MOD Single : A 105 GLN : amide:sc= -0.0233 K(o=-0.023,f=-0.61) USER MOD Single : A 106 THR OG1 : rot 51:sc= -1.4 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 14.163 9.025 -1.782 1.00 0.00 N ATOM 351 CA VAL A 27 13.062 8.088 -1.922 1.00 0.00 C ATOM 352 C VAL A 27 13.033 7.552 -3.354 1.00 0.00 C ATOM 353 O VAL A 27 13.608 8.155 -4.258 1.00 0.00 O ATOM 354 CB VAL A 27 11.749 8.758 -1.508 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.622 8.819 0.016 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.627 10.152 -2.125 1.00 0.00 C ATOM 0 HA VAL A 27 13.200 7.235 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 27 10.928 8.151 -1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.681 9.299 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.642 7.808 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.452 9.393 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.686 10.606 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.457 10.773 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.651 10.072 -3.212 1.00 0.00 H new ATOM 366 N PRO A 28 12.340 6.393 -3.520 1.00 0.00 N ATOM 367 CA PRO A 28 12.229 5.769 -4.827 1.00 0.00 C ATOM 368 C PRO A 28 11.241 6.528 -5.716 1.00 0.00 C ATOM 369 O PRO A 28 10.642 7.511 -5.284 1.00 0.00 O ATOM 370 CB PRO A 28 11.797 4.339 -4.545 1.00 0.00 C ATOM 371 CG PRO A 28 11.233 4.346 -3.133 1.00 0.00 C ATOM 372 CD PRO A 28 11.646 5.651 -2.472 1.00 0.00 C ATOM 0 HA PRO A 28 13.167 5.786 -5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.047 4.008 -5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.640 3.653 -4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.147 4.257 -3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.611 3.495 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.779 6.201 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.296 5.473 -1.616 1.00 0.00 H new ATOM 380 N GLY A 29 11.103 6.042 -6.941 1.00 0.00 N ATOM 381 CA GLY A 29 10.198 6.662 -7.894 1.00 0.00 C ATOM 382 C GLY A 29 8.867 5.910 -7.956 1.00 0.00 C ATOM 383 O GLY A 29 8.587 5.066 -7.106 1.00 0.00 O ATOM 0 H GLY A 29 11.603 5.226 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.021 7.699 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.658 6.676 -8.882 1.00 0.00 H new ATOM 387 N PRO A 30 8.062 6.252 -8.997 1.00 0.00 N ATOM 388 CA PRO A 30 6.767 5.618 -9.182 1.00 0.00 C ATOM 389 C PRO A 30 6.925 4.197 -9.725 1.00 0.00 C ATOM 390 O PRO A 30 7.693 3.967 -10.658 1.00 0.00 O ATOM 391 CB PRO A 30 6.012 6.536 -10.129 1.00 0.00 C ATOM 392 CG PRO A 30 7.066 7.398 -10.803 1.00 0.00 C ATOM 393 CD PRO A 30 8.361 7.247 -10.023 1.00 0.00 C ATOM 0 HA PRO A 30 6.220 5.496 -8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.449 5.961 -10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.293 7.150 -9.587 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.206 7.089 -11.839 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.751 8.441 -10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.176 6.918 -10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.668 8.194 -9.579 1.00 0.00 H new ATOM 401 N PRO A 31 6.166 3.256 -9.103 1.00 0.00 N ATOM 402 CA PRO A 31 6.214 1.863 -9.515 1.00 0.00 C ATOM 403 C PRO A 31 5.459 1.653 -10.829 1.00 0.00 C ATOM 404 O PRO A 31 4.229 1.680 -10.853 1.00 0.00 O ATOM 405 CB PRO A 31 5.612 1.089 -8.354 1.00 0.00 C ATOM 406 CG PRO A 31 4.828 2.103 -7.537 1.00 0.00 C ATOM 407 CD PRO A 31 5.245 3.492 -7.995 1.00 0.00 C ATOM 0 HA PRO A 31 7.228 1.520 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.962 0.290 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.390 0.621 -7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.757 1.960 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.030 1.975 -6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.384 4.079 -8.314 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.728 4.046 -7.190 1.00 0.00 H new ATOM 415 N MET A 32 6.226 1.450 -11.889 1.00 0.00 N ATOM 416 CA MET A 32 5.645 1.236 -13.204 1.00 0.00 C ATOM 417 C MET A 32 5.340 -0.246 -13.434 1.00 0.00 C ATOM 418 O MET A 32 5.893 -1.110 -12.755 1.00 0.00 O ATOM 419 CB MET A 32 6.615 1.731 -14.278 1.00 0.00 C ATOM 420 CG MET A 32 7.976 1.045 -14.145 1.00 0.00 C ATOM 421 SD MET A 32 8.904 1.231 -15.659 1.00 0.00 S ATOM 422 CE MET A 32 10.543 0.843 -15.068 1.00 0.00 C ATOM 0 H MET A 32 7.245 1.429 -11.865 1.00 0.00 H new ATOM 0 HA MET A 32 4.710 1.793 -13.263 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.200 1.535 -15.267 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.738 2.811 -14.192 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.531 1.478 -13.313 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.839 -0.013 -13.920 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.253 0.912 -15.892 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.825 1.549 -14.287 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.554 -0.169 -14.664 1.00 0.00 H new ATOM 432 N GLY A 33 4.462 -0.495 -14.394 1.00 0.00 N ATOM 433 CA GLY A 33 4.077 -1.857 -14.722 1.00 0.00 C ATOM 434 C GLY A 33 2.891 -2.312 -13.871 1.00 0.00 C ATOM 435 O GLY A 33 2.891 -3.423 -13.343 1.00 0.00 O ATOM 0 H GLY A 33 4.006 0.224 -14.956 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.816 -1.920 -15.779 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.922 -2.526 -14.561 1.00 0.00 H new ATOM 439 N ILE A 34 1.908 -1.430 -13.763 1.00 0.00 N ATOM 440 CA ILE A 34 0.718 -1.727 -12.984 1.00 0.00 C ATOM 441 C ILE A 34 -0.342 -2.347 -13.897 1.00 0.00 C ATOM 442 O ILE A 34 -0.832 -1.694 -14.818 1.00 0.00 O ATOM 443 CB ILE A 34 0.237 -0.478 -12.243 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.420 0.342 -11.726 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.739 -0.847 -11.123 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.358 -0.522 -10.880 1.00 0.00 C ATOM 0 H ILE A 34 1.911 -0.509 -14.202 1.00 0.00 H new ATOM 0 HA ILE A 34 0.942 -2.461 -12.210 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.306 0.151 -12.949 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.969 0.765 -12.567 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.055 1.179 -11.131 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.066 0.059 -10.612 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.604 -1.356 -11.547 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.243 -1.506 -10.411 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.191 0.085 -10.525 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.812 -0.924 -10.027 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.741 -1.344 -11.485 1.00 0.00 H new ATOM 458 N LEU A 35 -0.665 -3.599 -13.611 1.00 0.00 N ATOM 459 CA LEU A 35 -1.658 -4.314 -14.394 1.00 0.00 C ATOM 460 C LEU A 35 -2.523 -5.164 -13.461 1.00 0.00 C ATOM 461 O LEU A 35 -2.103 -5.501 -12.355 1.00 0.00 O ATOM 462 CB LEU A 35 -0.984 -5.117 -15.509 1.00 0.00 C ATOM 463 CG LEU A 35 -0.323 -4.298 -16.620 1.00 0.00 C ATOM 464 CD1 LEU A 35 0.378 -5.209 -17.629 1.00 0.00 C ATOM 465 CD2 LEU A 35 -1.336 -3.369 -17.293 1.00 0.00 C ATOM 0 H LEU A 35 -0.256 -4.137 -12.847 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.325 -3.612 -14.895 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.227 -5.760 -15.060 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.730 -5.770 -15.961 1.00 0.00 H new ATOM 0 HG LEU A 35 0.443 -3.667 -16.170 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.839 -4.602 -18.408 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.146 -5.792 -17.121 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.351 -5.883 -18.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.841 -2.798 -18.079 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.141 -3.962 -17.728 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.749 -2.684 -16.553 1.00 0.00 H new ATOM 477 N PHE A 36 -3.715 -5.487 -13.942 1.00 0.00 N ATOM 478 CA PHE A 36 -4.642 -6.291 -13.164 1.00 0.00 C ATOM 479 C PHE A 36 -5.012 -7.576 -13.909 1.00 0.00 C ATOM 480 O PHE A 36 -5.937 -7.582 -14.720 1.00 0.00 O ATOM 481 CB PHE A 36 -5.905 -5.450 -12.964 1.00 0.00 C ATOM 482 CG PHE A 36 -5.703 -4.231 -12.062 1.00 0.00 C ATOM 483 CD1 PHE A 36 -5.303 -3.047 -12.599 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.924 -4.331 -10.724 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.116 -1.915 -11.762 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.737 -3.199 -9.887 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.337 -2.015 -10.424 1.00 0.00 C ATOM 0 H PHE A 36 -4.060 -5.207 -14.860 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.185 -6.571 -12.215 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.264 -5.114 -13.937 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.685 -6.080 -12.537 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.128 -2.968 -13.662 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.242 -5.271 -10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.798 -0.975 -12.188 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.912 -3.278 -8.824 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.195 -1.154 -9.788 1.00 0.00 H new ATOM 497 N PRO A 37 -4.252 -8.659 -13.599 1.00 0.00 N ATOM 498 CA PRO A 37 -4.490 -9.946 -14.230 1.00 0.00 C ATOM 499 C PRO A 37 -5.740 -10.616 -13.655 1.00 0.00 C ATOM 500 O PRO A 37 -6.613 -11.055 -14.402 1.00 0.00 O ATOM 501 CB PRO A 37 -3.221 -10.746 -13.983 1.00 0.00 C ATOM 502 CG PRO A 37 -2.508 -10.054 -12.833 1.00 0.00 C ATOM 503 CD PRO A 37 -3.148 -8.688 -12.643 1.00 0.00 C ATOM 0 HA PRO A 37 -4.690 -9.860 -15.298 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.455 -11.781 -13.732 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.594 -10.768 -14.874 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.592 -10.645 -11.921 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.445 -9.951 -13.050 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.505 -8.557 -11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.435 -7.886 -12.837 1.00 0.00 H new ATOM 511 N GLU A 38 -5.786 -10.673 -12.332 1.00 0.00 N ATOM 512 CA GLU A 38 -6.914 -11.281 -11.648 1.00 0.00 C ATOM 513 C GLU A 38 -7.629 -10.245 -10.777 1.00 0.00 C ATOM 514 O GLU A 38 -7.082 -9.789 -9.774 1.00 0.00 O ATOM 515 CB GLU A 38 -6.467 -12.483 -10.814 1.00 0.00 C ATOM 516 CG GLU A 38 -7.649 -13.102 -10.065 1.00 0.00 C ATOM 517 CD GLU A 38 -7.175 -14.177 -9.085 1.00 0.00 C ATOM 518 OE1 GLU A 38 -7.066 -15.341 -9.529 1.00 0.00 O ATOM 519 OE2 GLU A 38 -6.934 -13.811 -7.914 1.00 0.00 O ATOM 0 H GLU A 38 -5.060 -10.308 -11.716 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.616 -11.642 -12.399 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.011 -13.231 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.703 -12.172 -10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.189 -12.325 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.348 -13.538 -10.779 1.00 0.00 H new ATOM 526 N VAL A 39 -8.840 -9.905 -11.192 1.00 0.00 N ATOM 527 CA VAL A 39 -9.635 -8.931 -10.462 1.00 0.00 C ATOM 528 C VAL A 39 -11.095 -9.387 -10.438 1.00 0.00 C ATOM 529 O VAL A 39 -11.749 -9.442 -11.478 1.00 0.00 O ATOM 530 CB VAL A 39 -9.452 -7.541 -11.076 1.00 0.00 C ATOM 531 CG1 VAL A 39 -8.995 -7.641 -12.532 1.00 0.00 C ATOM 532 CG2 VAL A 39 -10.736 -6.718 -10.959 1.00 0.00 C ATOM 0 H VAL A 39 -9.290 -10.286 -12.024 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.299 -8.861 -9.427 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.672 -7.026 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.873 -6.640 -12.945 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.044 -8.172 -12.579 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.742 -8.183 -13.111 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.580 -5.735 -11.403 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.544 -7.228 -11.483 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.000 -6.604 -9.908 1.00 0.00 H new ATOM 542 N ARG A 40 -11.564 -9.702 -9.239 1.00 0.00 N ATOM 543 CA ARG A 40 -12.935 -10.150 -9.066 1.00 0.00 C ATOM 544 C ARG A 40 -13.804 -9.009 -8.533 1.00 0.00 C ATOM 545 O ARG A 40 -13.426 -7.842 -8.625 1.00 0.00 O ATOM 546 CB ARG A 40 -13.009 -11.333 -8.098 1.00 0.00 C ATOM 547 CG ARG A 40 -11.713 -12.147 -8.126 1.00 0.00 C ATOM 548 CD ARG A 40 -11.743 -13.262 -7.079 1.00 0.00 C ATOM 549 NE ARG A 40 -10.766 -12.974 -6.006 1.00 0.00 N ATOM 550 CZ ARG A 40 -10.497 -13.807 -4.991 1.00 0.00 C ATOM 551 NH1 ARG A 40 -11.130 -14.985 -4.906 1.00 0.00 N ATOM 552 NH2 ARG A 40 -9.594 -13.463 -4.062 1.00 0.00 N ATOM 0 H ARG A 40 -11.019 -9.656 -8.378 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.305 -10.468 -10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.192 -10.969 -7.087 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.850 -11.973 -8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.571 -12.578 -9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.863 -11.491 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.744 -13.349 -6.657 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.510 -14.218 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.266 -12.086 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.816 -15.247 -5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.926 -15.619 -4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.111 -12.567 -4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.390 -14.097 -3.290 1.00 0.00 H new ATOM 566 N THR A 41 -14.951 -9.386 -7.989 1.00 0.00 N ATOM 567 CA THR A 41 -15.876 -8.409 -7.441 1.00 0.00 C ATOM 568 C THR A 41 -15.377 -7.901 -6.087 1.00 0.00 C ATOM 569 O THR A 41 -14.773 -6.833 -6.006 1.00 0.00 O ATOM 570 CB THR A 41 -17.262 -9.056 -7.374 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.994 -10.455 -7.403 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.086 -8.808 -8.639 1.00 0.00 C ATOM 0 H THR A 41 -15.261 -10.355 -7.916 1.00 0.00 H new ATOM 0 HA THR A 41 -15.943 -7.527 -8.078 1.00 0.00 H new ATOM 0 HB THR A 41 -17.801 -8.670 -6.509 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.838 -10.951 -7.362 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.059 -9.288 -8.539 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.223 -7.736 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.563 -9.223 -9.501 1.00 0.00 H new ATOM 580 N THR A 42 -15.647 -8.691 -5.059 1.00 0.00 N ATOM 581 CA THR A 42 -15.232 -8.335 -3.712 1.00 0.00 C ATOM 582 C THR A 42 -13.811 -8.833 -3.443 1.00 0.00 C ATOM 583 O THR A 42 -13.424 -9.023 -2.291 1.00 0.00 O ATOM 584 CB THR A 42 -16.268 -8.894 -2.735 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.081 -10.305 -2.800 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.704 -8.686 -3.221 1.00 0.00 C ATOM 0 H THR A 42 -16.148 -9.577 -5.131 1.00 0.00 H new ATOM 0 HA THR A 42 -15.193 -7.253 -3.582 1.00 0.00 H new ATOM 0 HB THR A 42 -16.142 -8.419 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.712 -10.747 -2.195 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.399 -9.101 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.897 -7.620 -3.340 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.841 -9.189 -4.178 1.00 0.00 H new ATOM 594 N SER A 43 -13.073 -9.031 -4.525 1.00 0.00 N ATOM 595 CA SER A 43 -11.703 -9.504 -4.419 1.00 0.00 C ATOM 596 C SER A 43 -10.977 -9.308 -5.752 1.00 0.00 C ATOM 597 O SER A 43 -11.473 -9.721 -6.800 1.00 0.00 O ATOM 598 CB SER A 43 -11.658 -10.975 -4.003 1.00 0.00 C ATOM 599 OG SER A 43 -12.146 -11.170 -2.678 1.00 0.00 O ATOM 0 H SER A 43 -13.397 -8.873 -5.479 1.00 0.00 H new ATOM 0 HA SER A 43 -11.199 -8.921 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.252 -11.567 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.633 -11.339 -4.069 1.00 0.00 H new ATOM 0 HG SER A 43 -12.322 -10.300 -2.263 1.00 0.00 H new ATOM 605 N VAL A 44 -9.815 -8.677 -5.670 1.00 0.00 N ATOM 606 CA VAL A 44 -9.017 -8.421 -6.857 1.00 0.00 C ATOM 607 C VAL A 44 -7.546 -8.709 -6.548 1.00 0.00 C ATOM 608 O VAL A 44 -7.175 -8.892 -5.390 1.00 0.00 O ATOM 609 CB VAL A 44 -9.256 -6.993 -7.350 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.746 -6.646 -7.325 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.445 -5.987 -6.531 1.00 0.00 C ATOM 0 H VAL A 44 -9.407 -8.335 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.315 -9.085 -7.669 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.916 -6.935 -8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.888 -5.625 -7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.291 -7.334 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.122 -6.731 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.633 -4.980 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.740 -6.049 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.383 -6.215 -6.623 1.00 0.00 H new ATOM 621 N ARG A 45 -6.748 -8.740 -7.606 1.00 0.00 N ATOM 622 CA ARG A 45 -5.326 -9.002 -7.462 1.00 0.00 C ATOM 623 C ARG A 45 -4.547 -8.344 -8.603 1.00 0.00 C ATOM 624 O ARG A 45 -4.624 -8.786 -9.748 1.00 0.00 O ATOM 625 CB ARG A 45 -5.041 -10.506 -7.460 1.00 0.00 C ATOM 626 CG ARG A 45 -3.553 -10.781 -7.230 1.00 0.00 C ATOM 627 CD ARG A 45 -3.130 -12.094 -7.891 1.00 0.00 C ATOM 628 NE ARG A 45 -3.417 -13.231 -6.987 1.00 0.00 N ATOM 629 CZ ARG A 45 -3.203 -14.515 -7.304 1.00 0.00 C ATOM 630 NH1 ARG A 45 -2.699 -14.834 -8.504 1.00 0.00 N ATOM 631 NH2 ARG A 45 -3.494 -15.481 -6.421 1.00 0.00 N ATOM 0 H ARG A 45 -7.059 -8.588 -8.565 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.006 -8.581 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.629 -10.990 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.352 -10.940 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.961 -9.959 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.349 -10.826 -6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.662 -12.224 -8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.066 -12.066 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.802 -13.024 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.478 -14.099 -9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.536 -15.812 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.878 -15.238 -5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.331 -16.459 -6.662 1.00 0.00 H new ATOM 645 N LEU A 46 -3.815 -7.298 -8.251 1.00 0.00 N ATOM 646 CA LEU A 46 -3.023 -6.574 -9.231 1.00 0.00 C ATOM 647 C LEU A 46 -1.539 -6.854 -8.987 1.00 0.00 C ATOM 648 O LEU A 46 -1.172 -7.434 -7.967 1.00 0.00 O ATOM 649 CB LEU A 46 -3.379 -5.086 -9.214 1.00 0.00 C ATOM 650 CG LEU A 46 -2.456 -4.185 -8.392 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.539 -2.733 -8.870 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.752 -4.314 -6.897 1.00 0.00 C ATOM 0 H LEU A 46 -3.753 -6.934 -7.300 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.252 -6.921 -10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.387 -4.723 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.394 -4.980 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.429 -4.517 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.873 -2.114 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.240 -2.677 -9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.563 -2.373 -8.765 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.082 -3.663 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.785 -4.024 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.601 -5.347 -6.584 1.00 0.00 H new ATOM 664 N ILE A 47 -0.725 -6.428 -9.942 1.00 0.00 N ATOM 665 CA ILE A 47 0.711 -6.626 -9.845 1.00 0.00 C ATOM 666 C ILE A 47 1.428 -5.331 -10.235 1.00 0.00 C ATOM 667 O ILE A 47 0.820 -4.431 -10.811 1.00 0.00 O ATOM 668 CB ILE A 47 1.143 -7.840 -10.670 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.268 -7.479 -12.152 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.195 -9.020 -10.446 1.00 0.00 C ATOM 671 CD1 ILE A 47 -0.106 -7.207 -12.768 1.00 0.00 C ATOM 0 H ILE A 47 -1.033 -5.946 -10.787 1.00 0.00 H new ATOM 0 HA ILE A 47 0.995 -6.852 -8.817 1.00 0.00 H new ATOM 0 HB ILE A 47 2.131 -8.151 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.901 -6.599 -12.263 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.756 -8.293 -12.688 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.524 -9.870 -11.044 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.199 -9.295 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.815 -8.737 -10.743 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.011 -6.953 -13.821 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.728 -8.097 -12.677 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.581 -6.377 -12.245 1.00 0.00 H new ATOM 683 N TRP A 48 2.710 -5.279 -9.904 1.00 0.00 N ATOM 684 CA TRP A 48 3.515 -4.110 -10.213 1.00 0.00 C ATOM 685 C TRP A 48 4.986 -4.532 -10.200 1.00 0.00 C ATOM 686 O TRP A 48 5.301 -5.689 -9.927 1.00 0.00 O ATOM 687 CB TRP A 48 3.213 -2.965 -9.244 1.00 0.00 C ATOM 688 CG TRP A 48 3.689 -3.220 -7.812 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.819 -2.793 -7.230 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.999 -3.981 -6.799 1.00 0.00 C ATOM 691 NE1 TRP A 48 4.906 -3.223 -5.921 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.765 -3.968 -5.651 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.768 -4.659 -6.851 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.386 -4.615 -4.469 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.404 -5.301 -5.662 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.163 -5.297 -4.498 1.00 0.00 C ATOM 0 H TRP A 48 3.211 -6.027 -9.425 1.00 0.00 H new ATOM 0 HA TRP A 48 3.272 -3.725 -11.203 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.683 -2.055 -9.616 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.138 -2.787 -9.232 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.567 -2.189 -7.723 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.668 -3.029 -5.271 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.152 -4.682 -7.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.003 -4.590 -3.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.467 -5.838 -5.648 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.811 -5.818 -3.619 1.00 0.00 H new ATOM 707 N GLN A 49 5.847 -3.570 -10.498 1.00 0.00 N ATOM 708 CA GLN A 49 7.277 -3.828 -10.524 1.00 0.00 C ATOM 709 C GLN A 49 8.031 -2.704 -9.812 1.00 0.00 C ATOM 710 O GLN A 49 7.485 -1.623 -9.597 1.00 0.00 O ATOM 711 CB GLN A 49 7.777 -4.000 -11.960 1.00 0.00 C ATOM 712 CG GLN A 49 7.698 -5.464 -12.396 1.00 0.00 C ATOM 713 CD GLN A 49 7.767 -5.586 -13.920 1.00 0.00 C ATOM 714 OE1 GLN A 49 8.770 -5.980 -14.492 1.00 0.00 O ATOM 715 NE2 GLN A 49 6.648 -5.229 -14.543 1.00 0.00 N ATOM 0 H GLN A 49 5.582 -2.611 -10.723 1.00 0.00 H new ATOM 0 HA GLN A 49 7.468 -4.761 -9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.181 -3.384 -12.633 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.806 -3.649 -12.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.516 -6.026 -11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.770 -5.906 -12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.844 -4.908 -14.003 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.593 -5.276 -15.560 1.00 0.00 H new ATOM 724 N PRO A 50 9.309 -3.005 -9.456 1.00 0.00 N ATOM 725 CA PRO A 50 10.145 -2.032 -8.772 1.00 0.00 C ATOM 726 C PRO A 50 10.632 -0.952 -9.739 1.00 0.00 C ATOM 727 O PRO A 50 10.762 -1.199 -10.937 1.00 0.00 O ATOM 728 CB PRO A 50 11.279 -2.844 -8.167 1.00 0.00 C ATOM 729 CG PRO A 50 11.293 -4.165 -8.920 1.00 0.00 C ATOM 730 CD PRO A 50 9.990 -4.274 -9.694 1.00 0.00 C ATOM 0 HA PRO A 50 9.607 -1.486 -7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.231 -2.324 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.119 -3.004 -7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.145 -4.209 -9.599 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.396 -4.999 -8.226 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.173 -4.432 -10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.392 -5.116 -9.345 1.00 0.00 H new ATOM 738 N PRO A 51 10.896 0.254 -9.168 1.00 0.00 N ATOM 739 CA PRO A 51 11.366 1.373 -9.967 1.00 0.00 C ATOM 740 C PRO A 51 12.836 1.194 -10.349 1.00 0.00 C ATOM 741 O PRO A 51 13.689 1.012 -9.482 1.00 0.00 O ATOM 742 CB PRO A 51 11.121 2.601 -9.105 1.00 0.00 C ATOM 743 CG PRO A 51 10.957 2.087 -7.684 1.00 0.00 C ATOM 744 CD PRO A 51 10.753 0.583 -7.753 1.00 0.00 C ATOM 0 HA PRO A 51 10.843 1.460 -10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.955 3.299 -9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.230 3.136 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.838 2.326 -7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.105 2.566 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.490 0.055 -7.147 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.770 0.299 -7.378 1.00 0.00 H new ATOM 752 N ALA A 52 13.088 1.253 -11.648 1.00 0.00 N ATOM 753 CA ALA A 52 14.441 1.100 -12.156 1.00 0.00 C ATOM 754 C ALA A 52 15.388 1.992 -11.351 1.00 0.00 C ATOM 755 O ALA A 52 16.573 1.690 -11.224 1.00 0.00 O ATOM 756 CB ALA A 52 14.465 1.424 -13.651 1.00 0.00 C ATOM 0 H ALA A 52 12.378 1.405 -12.365 1.00 0.00 H new ATOM 0 HA ALA A 52 14.780 0.071 -12.040 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.480 1.309 -14.032 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.799 0.743 -14.182 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.133 2.451 -13.806 1.00 0.00 H new ATOM 762 N ALA A 53 14.828 3.073 -10.828 1.00 0.00 N ATOM 763 CA ALA A 53 15.608 4.011 -10.038 1.00 0.00 C ATOM 764 C ALA A 53 15.051 4.060 -8.614 1.00 0.00 C ATOM 765 O ALA A 53 14.235 4.922 -8.292 1.00 0.00 O ATOM 766 CB ALA A 53 15.595 5.383 -10.716 1.00 0.00 C ATOM 0 H ALA A 53 13.844 3.320 -10.936 1.00 0.00 H new ATOM 0 HA ALA A 53 16.647 3.688 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.180 6.087 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.028 5.300 -11.713 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.568 5.740 -10.795 1.00 0.00 H new ATOM 772 N PRO A 54 15.526 3.098 -7.778 1.00 0.00 N ATOM 773 CA PRO A 54 15.084 3.022 -6.396 1.00 0.00 C ATOM 774 C PRO A 54 15.730 4.123 -5.553 1.00 0.00 C ATOM 775 O PRO A 54 15.097 4.674 -4.653 1.00 0.00 O ATOM 776 CB PRO A 54 15.463 1.624 -5.938 1.00 0.00 C ATOM 777 CG PRO A 54 16.512 1.132 -6.922 1.00 0.00 C ATOM 778 CD PRO A 54 16.493 2.061 -8.125 1.00 0.00 C ATOM 0 HA PRO A 54 14.012 3.185 -6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.858 1.640 -4.922 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.594 0.966 -5.932 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.498 1.128 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.299 0.108 -7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.479 2.486 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.197 1.531 -9.030 1.00 0.00 H new ATOM 786 N ASN A 55 16.983 4.412 -5.874 1.00 0.00 N ATOM 787 CA ASN A 55 17.722 5.437 -5.157 1.00 0.00 C ATOM 788 C ASN A 55 17.438 5.312 -3.659 1.00 0.00 C ATOM 789 O ASN A 55 17.189 6.310 -2.985 1.00 0.00 O ATOM 790 CB ASN A 55 17.295 6.837 -5.604 1.00 0.00 C ATOM 791 CG ASN A 55 16.763 6.817 -7.038 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.490 6.602 -7.994 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.458 7.053 -7.135 1.00 0.00 N ATOM 0 H ASN A 55 17.505 3.954 -6.621 1.00 0.00 H new ATOM 0 HA ASN A 55 18.782 5.298 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.526 7.218 -4.932 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.143 7.518 -5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.008 7.061 -8.050 1.00 0.00 H new ATOM 0 HD22 ASN A 55 14.907 7.226 -6.294 1.00 0.00 H new ATOM 800 N GLY A 56 17.484 4.076 -3.182 1.00 0.00 N ATOM 801 CA GLY A 56 17.235 3.807 -1.777 1.00 0.00 C ATOM 802 C GLY A 56 16.635 2.413 -1.583 1.00 0.00 C ATOM 803 O GLY A 56 15.640 2.067 -2.219 1.00 0.00 O ATOM 0 H GLY A 56 17.690 3.250 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.167 3.887 -1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.556 4.558 -1.374 1.00 0.00 H new ATOM 807 N ILE A 57 17.265 1.650 -0.702 1.00 0.00 N ATOM 808 CA ILE A 57 16.806 0.301 -0.417 1.00 0.00 C ATOM 809 C ILE A 57 15.343 0.348 0.030 1.00 0.00 C ATOM 810 O ILE A 57 14.983 1.136 0.904 1.00 0.00 O ATOM 811 CB ILE A 57 17.735 -0.380 0.590 1.00 0.00 C ATOM 812 CG1 ILE A 57 18.952 -0.987 -0.110 1.00 0.00 C ATOM 813 CG2 ILE A 57 16.976 -1.415 1.423 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.470 -0.060 -1.211 1.00 0.00 C ATOM 0 H ILE A 57 18.089 1.940 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 57 16.845 -0.312 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 57 18.106 0.378 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.742 -1.169 0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.685 -1.953 -0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.659 -1.884 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.170 -0.923 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.557 -2.176 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.335 -0.515 -1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.686 0.100 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.759 0.897 -0.775 1.00 0.00 H new ATOM 826 N ILE A 58 14.540 -0.504 -0.590 1.00 0.00 N ATOM 827 CA ILE A 58 13.125 -0.569 -0.267 1.00 0.00 C ATOM 828 C ILE A 58 12.939 -1.355 1.033 1.00 0.00 C ATOM 829 O ILE A 58 13.465 -2.458 1.177 1.00 0.00 O ATOM 830 CB ILE A 58 12.332 -1.135 -1.446 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.773 -0.492 -2.763 1.00 0.00 C ATOM 832 CG2 ILE A 58 10.826 -0.990 -1.214 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.397 0.990 -2.802 1.00 0.00 C ATOM 0 H ILE A 58 14.842 -1.155 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 58 12.727 0.431 -0.096 1.00 0.00 H new ATOM 0 HB ILE A 58 12.546 -2.201 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.851 -0.601 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.306 -1.012 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.285 -1.400 -2.067 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.543 -1.531 -0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.576 0.065 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.722 1.423 -3.748 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.316 1.094 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.885 1.511 -1.978 1.00 0.00 H new ATOM 845 N LEU A 59 12.189 -0.757 1.946 1.00 0.00 N ATOM 846 CA LEU A 59 11.926 -1.387 3.229 1.00 0.00 C ATOM 847 C LEU A 59 10.571 -2.095 3.177 1.00 0.00 C ATOM 848 O LEU A 59 10.332 -3.041 3.925 1.00 0.00 O ATOM 849 CB LEU A 59 12.044 -0.365 4.362 1.00 0.00 C ATOM 850 CG LEU A 59 13.463 0.082 4.717 1.00 0.00 C ATOM 851 CD1 LEU A 59 14.336 0.182 3.465 1.00 0.00 C ATOM 852 CD2 LEU A 59 13.443 1.392 5.508 1.00 0.00 C ATOM 0 H LEU A 59 11.755 0.158 1.823 1.00 0.00 H new ATOM 0 HA LEU A 59 12.676 -2.150 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.464 0.517 4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.583 -0.787 5.255 1.00 0.00 H new ATOM 0 HG LEU A 59 13.909 -0.676 5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.340 0.502 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.388 -0.792 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.903 0.908 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 59 14.464 1.688 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.971 2.171 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.880 1.251 6.431 1.00 0.00 H new ATOM 864 N ALA A 60 9.719 -1.608 2.287 1.00 0.00 N ATOM 865 CA ALA A 60 8.394 -2.182 2.128 1.00 0.00 C ATOM 866 C ALA A 60 7.631 -1.404 1.053 1.00 0.00 C ATOM 867 O ALA A 60 8.232 -0.675 0.266 1.00 0.00 O ATOM 868 CB ALA A 60 7.670 -2.178 3.475 1.00 0.00 C ATOM 0 H ALA A 60 9.921 -0.822 1.669 1.00 0.00 H new ATOM 0 HA ALA A 60 8.462 -3.219 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.676 -2.609 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.237 -2.769 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.580 -1.154 3.837 1.00 0.00 H new ATOM 874 N TYR A 61 6.319 -1.586 1.056 1.00 0.00 N ATOM 875 CA TYR A 61 5.468 -0.910 0.091 1.00 0.00 C ATOM 876 C TYR A 61 4.086 -0.627 0.683 1.00 0.00 C ATOM 877 O TYR A 61 3.763 -1.101 1.771 1.00 0.00 O ATOM 878 CB TYR A 61 5.317 -1.874 -1.087 1.00 0.00 C ATOM 879 CG TYR A 61 6.438 -1.771 -2.123 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.670 -2.337 -1.866 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.218 -1.111 -3.315 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.725 -2.240 -2.841 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.273 -1.013 -4.290 1.00 0.00 C ATOM 884 CZ TYR A 61 8.475 -1.583 -4.005 1.00 0.00 C ATOM 885 OH TYR A 61 9.471 -1.491 -4.926 1.00 0.00 O ATOM 0 H TYR A 61 5.824 -2.192 1.711 1.00 0.00 H new ATOM 0 HA TYR A 61 5.905 0.044 -0.203 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.281 -2.895 -0.706 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.363 -1.684 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.843 -2.853 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.254 -0.668 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.693 -2.679 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.114 -0.499 -5.226 1.00 0.00 H new ATOM 0 HH TYR A 61 9.149 -0.996 -5.708 1.00 0.00 H new ATOM 895 N GLN A 62 3.306 0.145 -0.060 1.00 0.00 N ATOM 896 CA GLN A 62 1.966 0.496 0.378 1.00 0.00 C ATOM 897 C GLN A 62 0.986 0.418 -0.796 1.00 0.00 C ATOM 898 O GLN A 62 1.267 0.930 -1.878 1.00 0.00 O ATOM 899 CB GLN A 62 1.945 1.886 1.017 1.00 0.00 C ATOM 900 CG GLN A 62 0.530 2.266 1.458 1.00 0.00 C ATOM 901 CD GLN A 62 0.344 3.785 1.457 1.00 0.00 C ATOM 902 OE1 GLN A 62 0.575 4.463 0.470 1.00 0.00 O ATOM 903 NE2 GLN A 62 -0.084 4.278 2.616 1.00 0.00 N ATOM 0 H GLN A 62 3.577 0.537 -0.962 1.00 0.00 H new ATOM 0 HA GLN A 62 1.653 -0.222 1.136 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.615 1.905 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.318 2.623 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.199 1.807 0.790 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.339 1.873 2.457 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.258 3.653 3.403 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.238 5.281 2.718 1.00 0.00 H new ATOM 912 N ILE A 63 -0.142 -0.227 -0.541 1.00 0.00 N ATOM 913 CA ILE A 63 -1.165 -0.379 -1.562 1.00 0.00 C ATOM 914 C ILE A 63 -2.497 0.149 -1.026 1.00 0.00 C ATOM 915 O ILE A 63 -3.120 -0.481 -0.172 1.00 0.00 O ATOM 916 CB ILE A 63 -1.227 -1.829 -2.046 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.588 -1.973 -3.429 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.664 -2.354 -2.021 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.219 -3.268 -3.528 1.00 0.00 C ATOM 0 H ILE A 63 -0.371 -0.651 0.358 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.917 0.216 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.647 -2.444 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.364 -1.964 -4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.062 -1.120 -3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.680 -3.387 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.050 -2.309 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.287 -1.741 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.662 -3.345 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.009 -3.263 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.438 -4.120 -3.357 1.00 0.00 H new ATOM 931 N THR A 64 -2.896 1.299 -1.550 1.00 0.00 N ATOM 932 CA THR A 64 -4.143 1.917 -1.135 1.00 0.00 C ATOM 933 C THR A 64 -5.256 1.596 -2.134 1.00 0.00 C ATOM 934 O THR A 64 -4.983 1.233 -3.277 1.00 0.00 O ATOM 935 CB THR A 64 -3.893 3.417 -0.965 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.865 3.918 -2.298 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.495 3.720 -0.423 1.00 0.00 C ATOM 0 H THR A 64 -2.377 1.818 -2.258 1.00 0.00 H new ATOM 0 HA THR A 64 -4.483 1.519 -0.179 1.00 0.00 H new ATOM 0 HB THR A 64 -4.641 3.835 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.030 4.884 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.370 4.798 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.372 3.247 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.745 3.331 -1.112 1.00 0.00 H new ATOM 945 N HIS A 65 -6.487 1.743 -1.667 1.00 0.00 N ATOM 946 CA HIS A 65 -7.643 1.473 -2.506 1.00 0.00 C ATOM 947 C HIS A 65 -8.856 2.237 -1.970 1.00 0.00 C ATOM 948 O HIS A 65 -9.142 2.193 -0.774 1.00 0.00 O ATOM 949 CB HIS A 65 -7.893 -0.032 -2.619 1.00 0.00 C ATOM 950 CG HIS A 65 -8.351 -0.677 -1.333 1.00 0.00 C ATOM 951 ND1 HIS A 65 -9.499 -0.515 -0.614 1.00 0.00 N flip ATOM 952 CD2 HIS A 65 -7.590 -1.608 -0.648 1.00 0.00 C flip ATOM 953 CE1 HIS A 65 -9.443 -1.305 0.451 1.00 0.00 C flip ATOM 954 NE2 HIS A 65 -8.259 -1.983 0.432 1.00 0.00 N flip ATOM 0 H HIS A 65 -6.709 2.046 -0.719 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.452 1.828 -3.519 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.644 -0.208 -3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.976 -0.518 -2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.616 -1.968 -0.944 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -10.208 -1.396 1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -7.944 -2.660 1.127 1.00 0.00 H new ATOM 962 N ARG A 66 -9.535 2.918 -2.880 1.00 0.00 N ATOM 963 CA ARG A 66 -10.710 3.690 -2.514 1.00 0.00 C ATOM 964 C ARG A 66 -11.548 4.003 -3.755 1.00 0.00 C ATOM 965 O ARG A 66 -11.019 4.464 -4.766 1.00 0.00 O ATOM 966 CB ARG A 66 -10.317 5.001 -1.829 1.00 0.00 C ATOM 967 CG ARG A 66 -9.461 5.868 -2.755 1.00 0.00 C ATOM 968 CD ARG A 66 -8.166 6.296 -2.062 1.00 0.00 C ATOM 969 NE ARG A 66 -7.487 7.342 -2.860 1.00 0.00 N ATOM 970 CZ ARG A 66 -7.919 8.605 -2.966 1.00 0.00 C ATOM 971 NH1 ARG A 66 -9.032 8.988 -2.325 1.00 0.00 N ATOM 972 NH2 ARG A 66 -7.239 9.486 -3.712 1.00 0.00 N ATOM 0 H ARG A 66 -9.294 2.952 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.296 3.090 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.215 5.548 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.766 4.786 -0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.226 5.314 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.025 6.750 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.386 6.674 -1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.508 5.436 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.636 7.084 -3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.550 8.318 -1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.361 9.950 -2.405 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.392 9.195 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.569 10.448 -3.792 1.00 0.00 H new ATOM 986 N LEU A 67 -12.841 3.740 -3.639 1.00 0.00 N ATOM 987 CA LEU A 67 -13.757 3.988 -4.739 1.00 0.00 C ATOM 988 C LEU A 67 -13.340 5.268 -5.466 1.00 0.00 C ATOM 989 O LEU A 67 -13.313 6.343 -4.870 1.00 0.00 O ATOM 990 CB LEU A 67 -15.203 4.008 -4.239 1.00 0.00 C ATOM 991 CG LEU A 67 -15.936 2.665 -4.250 1.00 0.00 C ATOM 992 CD1 LEU A 67 -16.700 2.467 -5.561 1.00 0.00 C ATOM 993 CD2 LEU A 67 -14.970 1.511 -3.970 1.00 0.00 C ATOM 0 H LEU A 67 -13.276 3.357 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.707 3.177 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.209 4.394 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.768 4.712 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 67 -16.672 2.672 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.212 1.505 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.433 3.265 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.001 2.490 -6.397 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.516 0.568 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.194 1.492 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.511 1.650 -2.991 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.646 -0.838 2.775 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.938 -1.929 3.425 1.00 0.00 C ATOM 1141 C GLU A 78 -0.446 -1.864 3.094 1.00 0.00 C ATOM 1142 O GLU A 78 -0.070 -1.637 1.945 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.531 -3.282 3.026 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.622 -4.430 3.469 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.410 -5.480 4.256 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -2.969 -5.099 5.308 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.436 -6.638 3.789 1.00 0.00 O ATOM 0 HA GLU A 78 -2.056 -1.822 4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.516 -3.399 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.669 -3.318 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.163 -4.893 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.812 -4.040 4.085 1.00 0.00 H new ATOM 1154 N VAL A 79 0.364 -2.069 4.122 1.00 0.00 N ATOM 1155 CA VAL A 79 1.808 -2.037 3.956 1.00 0.00 C ATOM 1156 C VAL A 79 2.295 -3.415 3.503 1.00 0.00 C ATOM 1157 O VAL A 79 1.932 -4.431 4.094 1.00 0.00 O ATOM 1158 CB VAL A 79 2.474 -1.563 5.249 1.00 0.00 C ATOM 1159 CG1 VAL A 79 3.852 -2.203 5.422 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.568 -0.036 5.289 1.00 0.00 C ATOM 0 H VAL A 79 0.048 -2.258 5.073 1.00 0.00 H new ATOM 0 HA VAL A 79 2.087 -1.322 3.182 1.00 0.00 H new ATOM 0 HB VAL A 79 1.850 -1.882 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.304 -1.849 6.349 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.747 -3.287 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.489 -1.929 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.045 0.275 6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.159 0.314 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.567 0.392 5.234 1.00 0.00 H new ATOM 1170 N LEU A 80 3.110 -3.405 2.458 1.00 0.00 N ATOM 1171 CA LEU A 80 3.650 -4.641 1.919 1.00 0.00 C ATOM 1172 C LEU A 80 5.163 -4.674 2.148 1.00 0.00 C ATOM 1173 O LEU A 80 5.755 -3.675 2.553 1.00 0.00 O ATOM 1174 CB LEU A 80 3.246 -4.809 0.453 1.00 0.00 C ATOM 1175 CG LEU A 80 1.783 -5.179 0.199 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.233 -4.432 -1.017 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.616 -6.694 0.065 1.00 0.00 C ATOM 0 H LEU A 80 3.409 -2.560 1.971 1.00 0.00 H new ATOM 0 HA LEU A 80 3.229 -5.500 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.461 -3.878 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.877 -5.578 0.009 1.00 0.00 H new ATOM 0 HG LEU A 80 1.196 -4.866 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.192 -4.713 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.297 -3.358 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.818 -4.693 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.567 -6.930 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.217 -7.054 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.944 -7.179 0.984 1.00 0.00 H new ATOM 1189 N ALA A 81 5.745 -5.833 1.877 1.00 0.00 N ATOM 1190 CA ALA A 81 7.178 -6.008 2.048 1.00 0.00 C ATOM 1191 C ALA A 81 7.909 -5.390 0.855 1.00 0.00 C ATOM 1192 O ALA A 81 7.291 -5.075 -0.161 1.00 0.00 O ATOM 1193 CB ALA A 81 7.493 -7.496 2.217 1.00 0.00 C ATOM 0 H ALA A 81 5.251 -6.660 1.541 1.00 0.00 H new ATOM 0 HA ALA A 81 7.523 -5.497 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.567 -7.628 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.973 -7.881 3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.164 -8.040 1.332 1.00 0.00 H new ATOM 1199 N PRO A 82 9.249 -5.229 1.023 1.00 0.00 N ATOM 1200 CA PRO A 82 10.071 -4.653 -0.028 1.00 0.00 C ATOM 1201 C PRO A 82 10.298 -5.658 -1.159 1.00 0.00 C ATOM 1202 O PRO A 82 10.948 -5.342 -2.154 1.00 0.00 O ATOM 1203 CB PRO A 82 11.359 -4.237 0.663 1.00 0.00 C ATOM 1204 CG PRO A 82 11.398 -5.010 1.971 1.00 0.00 C ATOM 1205 CD PRO A 82 10.014 -5.590 2.213 1.00 0.00 C ATOM 0 HA PRO A 82 9.598 -3.797 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.226 -4.470 0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.376 -3.162 0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.142 -5.805 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.686 -4.355 2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.055 -6.671 2.345 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.563 -5.176 3.115 1.00 0.00 H new ATOM 1213 N SER A 83 9.749 -6.849 -0.969 1.00 0.00 N ATOM 1214 CA SER A 83 9.884 -7.903 -1.960 1.00 0.00 C ATOM 1215 C SER A 83 8.501 -8.349 -2.441 1.00 0.00 C ATOM 1216 O SER A 83 8.286 -9.529 -2.712 1.00 0.00 O ATOM 1217 CB SER A 83 10.660 -9.094 -1.396 1.00 0.00 C ATOM 1218 OG SER A 83 11.758 -9.458 -2.228 1.00 0.00 O ATOM 0 H SER A 83 9.209 -7.107 -0.143 1.00 0.00 H new ATOM 0 HA SER A 83 10.446 -7.507 -2.806 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.026 -8.849 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.989 -9.946 -1.288 1.00 0.00 H new ATOM 0 HG SER A 83 12.229 -10.221 -1.833 1.00 0.00 H new ATOM 1224 N ALA A 84 7.601 -7.381 -2.531 1.00 0.00 N ATOM 1225 CA ALA A 84 6.245 -7.659 -2.974 1.00 0.00 C ATOM 1226 C ALA A 84 6.078 -7.186 -4.420 1.00 0.00 C ATOM 1227 O ALA A 84 6.370 -6.034 -4.737 1.00 0.00 O ATOM 1228 CB ALA A 84 5.250 -6.991 -2.023 1.00 0.00 C ATOM 0 H ALA A 84 7.784 -6.403 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 84 6.047 -8.731 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.233 -7.199 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.390 -7.383 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.417 -5.914 -2.020 1.00 0.00 H new ATOM 1234 N ARG A 85 5.610 -8.100 -5.257 1.00 0.00 N ATOM 1235 CA ARG A 85 5.400 -7.790 -6.661 1.00 0.00 C ATOM 1236 C ARG A 85 3.907 -7.633 -6.953 1.00 0.00 C ATOM 1237 O ARG A 85 3.523 -6.910 -7.872 1.00 0.00 O ATOM 1238 CB ARG A 85 5.976 -8.888 -7.559 1.00 0.00 C ATOM 1239 CG ARG A 85 7.411 -8.559 -7.975 1.00 0.00 C ATOM 1240 CD ARG A 85 8.420 -9.230 -7.040 1.00 0.00 C ATOM 1241 NE ARG A 85 9.352 -10.072 -7.823 1.00 0.00 N ATOM 1242 CZ ARG A 85 9.051 -11.290 -8.293 1.00 0.00 C ATOM 1243 NH1 ARG A 85 7.840 -11.816 -8.063 1.00 0.00 N ATOM 1244 NH2 ARG A 85 9.960 -11.982 -8.994 1.00 0.00 N ATOM 0 H ARG A 85 5.370 -9.055 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 85 5.915 -6.853 -6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.956 -9.842 -7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.353 -9.001 -8.446 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.582 -8.891 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.559 -7.479 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.977 -8.473 -6.488 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.897 -9.840 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 85 10.282 -9.702 -8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.148 -11.289 -7.530 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.610 -12.743 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.881 -11.581 -9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.730 -12.909 -9.352 1.00 0.00 H new ATOM 1258 N GLN A 86 3.105 -8.322 -6.155 1.00 0.00 N ATOM 1259 CA GLN A 86 1.662 -8.268 -6.316 1.00 0.00 C ATOM 1260 C GLN A 86 0.974 -8.288 -4.950 1.00 0.00 C ATOM 1261 O GLN A 86 1.582 -8.668 -3.950 1.00 0.00 O ATOM 1262 CB GLN A 86 1.165 -9.417 -7.197 1.00 0.00 C ATOM 1263 CG GLN A 86 1.127 -10.731 -6.415 1.00 0.00 C ATOM 1264 CD GLN A 86 1.211 -11.933 -7.357 1.00 0.00 C ATOM 1265 OE1 GLN A 86 0.732 -11.910 -8.479 1.00 0.00 O ATOM 1266 NE2 GLN A 86 1.846 -12.982 -6.841 1.00 0.00 N ATOM 0 H GLN A 86 3.427 -8.921 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 86 1.407 -7.334 -6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.169 -9.186 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.818 -9.524 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 86 1.955 -10.761 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.207 -10.785 -5.832 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.223 -12.935 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.955 -13.833 -7.392 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.285 -7.875 -4.951 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.062 -7.840 -3.724 1.00 0.00 C ATOM 1277 C TYR A 87 -2.515 -8.245 -3.983 1.00 0.00 C ATOM 1278 O TYR A 87 -3.037 -8.032 -5.076 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.029 -6.388 -3.244 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.048 -6.071 -2.147 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -1.738 -6.318 -0.825 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.276 -5.537 -2.481 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -2.698 -6.020 0.207 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.235 -5.239 -1.449 1.00 0.00 C ATOM 1285 CZ TYR A 87 -3.899 -5.495 -0.156 1.00 0.00 C ATOM 1286 OH TYR A 87 -4.804 -5.213 0.818 1.00 0.00 O ATOM 0 H TYR A 87 -0.786 -7.562 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.650 -8.533 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.029 -6.161 -2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.210 -5.731 -4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.776 -6.734 -0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.518 -5.343 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.469 -6.209 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.200 -4.821 -1.696 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.616 -4.842 0.413 1.00 0.00 H new ATOM 1296 N THR A 88 -3.126 -8.823 -2.959 1.00 0.00 N ATOM 1297 CA THR A 88 -4.508 -9.260 -3.062 1.00 0.00 C ATOM 1298 C THR A 88 -5.420 -8.343 -2.244 1.00 0.00 C ATOM 1299 O THR A 88 -5.201 -8.150 -1.049 1.00 0.00 O ATOM 1300 CB THR A 88 -4.574 -10.726 -2.629 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.677 -11.390 -3.516 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.932 -11.364 -2.926 1.00 0.00 C ATOM 0 H THR A 88 -2.689 -8.999 -2.054 1.00 0.00 H new ATOM 0 HA THR A 88 -4.868 -9.193 -4.088 1.00 0.00 H new ATOM 0 HB THR A 88 -4.365 -10.799 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.657 -12.347 -3.305 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.925 -12.404 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.713 -10.822 -2.393 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.127 -11.322 -3.998 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.423 -7.804 -2.920 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.369 -6.912 -2.271 1.00 0.00 C ATOM 1312 C ALA A 89 -8.698 -7.644 -2.070 1.00 0.00 C ATOM 1313 O ALA A 89 -9.336 -8.056 -3.037 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.525 -5.639 -3.104 1.00 0.00 C ATOM 0 H ALA A 89 -6.602 -7.968 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.004 -6.615 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.235 -4.970 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.559 -5.141 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.892 -5.897 -4.097 1.00 0.00 H new ATOM 1320 N THR A 90 -9.075 -7.783 -0.808 1.00 0.00 N ATOM 1321 CA THR A 90 -10.316 -8.458 -0.467 1.00 0.00 C ATOM 1322 C THR A 90 -11.263 -7.499 0.258 1.00 0.00 C ATOM 1323 O THR A 90 -10.819 -6.540 0.887 1.00 0.00 O ATOM 1324 CB THR A 90 -9.969 -9.703 0.351 1.00 0.00 C ATOM 1325 OG1 THR A 90 -9.170 -9.204 1.420 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.035 -10.654 -0.400 1.00 0.00 C ATOM 0 H THR A 90 -8.543 -7.440 -0.008 1.00 0.00 H new ATOM 0 HA THR A 90 -10.850 -8.778 -1.362 1.00 0.00 H new ATOM 0 HB THR A 90 -10.885 -10.229 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.902 -9.946 2.002 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.820 -11.521 0.224 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.514 -10.981 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.105 -10.138 -0.637 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.550 -7.792 0.145 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.564 -6.969 0.783 1.00 0.00 C ATOM 1336 C GLY A 91 -13.755 -5.652 0.027 1.00 0.00 C ATOM 1337 O GLY A 91 -13.586 -4.575 0.597 1.00 0.00 O ATOM 0 H GLY A 91 -12.914 -8.588 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.508 -7.512 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.275 -6.763 1.813 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.104 -5.782 -1.245 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.319 -4.615 -2.084 1.00 0.00 C ATOM 1343 C LEU A 92 -15.760 -4.623 -2.601 1.00 0.00 C ATOM 1344 O LEU A 92 -16.439 -5.647 -2.540 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.268 -4.553 -3.194 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.850 -4.969 -2.799 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.087 -5.525 -4.003 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.104 -3.811 -2.133 1.00 0.00 C ATOM 0 H LEU A 92 -14.243 -6.677 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.192 -3.700 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.597 -5.191 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.233 -3.533 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.921 -5.771 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.082 -5.813 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.611 -6.397 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.024 -4.761 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.099 -4.134 -1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.041 -2.972 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.640 -3.501 -1.236 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.183 -3.470 -3.096 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.530 -3.331 -3.623 1.00 0.00 C ATOM 1362 C LYS A 93 -17.517 -3.613 -5.127 1.00 0.00 C ATOM 1363 O LYS A 93 -16.726 -3.028 -5.865 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.110 -1.963 -3.259 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.429 -1.713 -3.992 1.00 0.00 C ATOM 1366 CD LYS A 93 -19.526 -0.262 -4.468 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.470 0.707 -3.286 1.00 0.00 C ATOM 1368 NZ LYS A 93 -20.822 0.913 -2.720 1.00 0.00 N ATOM 0 H LYS A 93 -15.617 -2.623 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.194 -4.065 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.272 -1.908 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.394 -1.181 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.508 -2.386 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.265 -1.939 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -18.711 -0.047 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -20.456 -0.117 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -18.804 0.315 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.056 1.662 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -20.766 1.573 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -21.448 1.308 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.204 0.003 -2.392 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.426 -4.533 -5.547 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.526 -4.900 -6.950 1.00 0.00 C ATOM 1384 C PRO A 94 -19.216 -3.798 -7.756 1.00 0.00 C ATOM 1385 O PRO A 94 -19.889 -2.938 -7.190 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.292 -6.212 -6.960 1.00 0.00 C ATOM 1387 CG PRO A 94 -19.993 -6.296 -5.614 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.379 -5.247 -4.702 1.00 0.00 C ATOM 0 HA PRO A 94 -17.552 -5.020 -7.424 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -20.012 -6.237 -7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.618 -7.057 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.063 -6.122 -5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.876 -7.291 -5.184 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.139 -4.573 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.883 -5.707 -3.847 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.026 -3.860 -9.066 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.622 -2.879 -9.956 1.00 0.00 C ATOM 1398 C GLU A 95 -19.162 -1.470 -9.577 1.00 0.00 C ATOM 1399 O GLU A 95 -19.965 -0.539 -9.540 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.149 -2.980 -9.940 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.617 -4.308 -10.538 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.924 -4.770 -9.890 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.760 -3.886 -9.604 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -23.057 -5.998 -9.695 1.00 0.00 O ATOM 0 H GLU A 95 -18.467 -4.575 -9.532 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.287 -3.089 -10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.512 -2.890 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.578 -2.152 -10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.759 -4.197 -11.613 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.848 -5.067 -10.395 1.00 0.00 H new ATOM 1411 N SER A 96 -17.870 -1.357 -9.306 1.00 0.00 N ATOM 1412 CA SER A 96 -17.293 -0.077 -8.932 1.00 0.00 C ATOM 1413 C SER A 96 -15.829 -0.013 -9.373 1.00 0.00 C ATOM 1414 O SER A 96 -15.247 -1.029 -9.752 1.00 0.00 O ATOM 1415 CB SER A 96 -17.403 0.157 -7.424 1.00 0.00 C ATOM 1416 OG SER A 96 -16.153 -0.024 -6.763 1.00 0.00 O ATOM 0 H SER A 96 -17.206 -2.131 -9.338 1.00 0.00 H new ATOM 0 HA SER A 96 -17.853 0.710 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.768 1.167 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.138 -0.529 -7.003 1.00 0.00 H new ATOM 0 HG SER A 96 -15.829 -0.935 -6.921 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.277 1.189 -9.310 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.892 1.398 -9.699 1.00 0.00 C ATOM 1424 C VAL A 97 -13.056 1.693 -8.452 1.00 0.00 C ATOM 1425 O VAL A 97 -13.408 2.561 -7.655 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.806 2.505 -10.752 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.473 2.446 -11.501 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -14.985 2.430 -11.724 1.00 0.00 C ATOM 0 H VAL A 97 -15.763 2.029 -8.995 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.484 0.498 -10.159 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.858 3.464 -10.236 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.437 3.243 -12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.653 2.571 -10.794 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.378 1.481 -12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.900 3.228 -12.462 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.978 1.465 -12.231 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.919 2.544 -11.173 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.965 0.953 -8.322 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.076 1.123 -7.186 1.00 0.00 C ATOM 1440 C TYR A 98 -9.707 1.640 -7.633 1.00 0.00 C ATOM 1441 O TYR A 98 -9.052 1.026 -8.474 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.906 -0.267 -6.570 1.00 0.00 C ATOM 1443 CG TYR A 98 -11.940 -0.601 -5.493 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.277 -0.690 -5.823 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.535 -0.812 -4.190 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.249 -1.004 -4.809 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.508 -1.126 -3.176 1.00 0.00 C ATOM 1448 CZ TYR A 98 -13.817 -1.207 -3.535 1.00 0.00 C ATOM 1449 OH TYR A 98 -14.736 -1.503 -2.577 1.00 0.00 O ATOM 0 H TYR A 98 -11.676 0.234 -8.985 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.489 1.845 -6.481 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.967 -1.014 -7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.908 -0.342 -6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.594 -0.524 -6.842 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.489 -0.742 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.298 -1.077 -5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.205 -1.293 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.603 -0.916 -1.804 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.315 2.765 -7.052 1.00 0.00 N ATOM 1460 CA LEU A 99 -8.036 3.371 -7.380 1.00 0.00 C ATOM 1461 C LEU A 99 -6.943 2.747 -6.511 1.00 0.00 C ATOM 1462 O LEU A 99 -6.893 2.984 -5.305 1.00 0.00 O ATOM 1463 CB LEU A 99 -8.120 4.894 -7.264 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.792 5.648 -7.356 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -6.145 5.790 -5.977 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.853 4.983 -8.364 1.00 0.00 C ATOM 0 H LEU A 99 -9.861 3.272 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.773 3.168 -8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.779 5.263 -8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.590 5.141 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.995 6.655 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.203 6.330 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.814 6.341 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.957 4.801 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.916 5.539 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.652 3.958 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.321 4.978 -9.349 1.00 0.00 H new ATOM 1478 N PHE A 100 -6.094 1.962 -7.158 1.00 0.00 N ATOM 1479 CA PHE A 100 -5.004 1.302 -6.459 1.00 0.00 C ATOM 1480 C PHE A 100 -3.723 2.136 -6.528 1.00 0.00 C ATOM 1481 O PHE A 100 -3.163 2.332 -7.606 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.766 -0.036 -7.162 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.612 -1.186 -6.613 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.951 -1.220 -6.851 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -5.025 -2.176 -5.888 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.736 -2.288 -6.341 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -5.810 -3.244 -5.378 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.149 -3.277 -5.616 1.00 0.00 C ATOM 0 H PHE A 100 -6.139 1.768 -8.158 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.263 1.169 -5.409 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.977 0.081 -8.225 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.712 -0.299 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.417 -0.435 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.962 -2.150 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.799 -2.315 -6.529 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.344 -4.030 -4.802 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.746 -4.089 -5.229 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.297 2.606 -5.365 1.00 0.00 N ATOM 1499 CA ARG A 101 -2.093 3.415 -5.281 1.00 0.00 C ATOM 1500 C ARG A 101 -0.947 2.599 -4.677 1.00 0.00 C ATOM 1501 O ARG A 101 -0.995 2.227 -3.506 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.326 4.663 -4.427 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.524 5.851 -4.962 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.304 7.157 -4.798 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.943 7.200 -3.463 1.00 0.00 N ATOM 1506 CZ ARG A 101 -3.648 8.242 -3.001 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -3.807 9.333 -3.762 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -4.192 8.193 -1.778 1.00 0.00 N ATOM 0 H ARG A 101 -3.764 2.442 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.830 3.725 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.388 4.910 -4.420 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.039 4.461 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.574 5.921 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.291 5.692 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.634 8.008 -4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.063 7.237 -5.576 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.840 6.386 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.392 9.371 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.344 10.126 -3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.070 7.363 -1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.729 8.986 -1.426 1.00 0.00 H new ATOM 1522 N ILE A 102 0.056 2.346 -5.505 1.00 0.00 N ATOM 1523 CA ILE A 102 1.212 1.581 -5.068 1.00 0.00 C ATOM 1524 C ILE A 102 2.346 2.542 -4.706 1.00 0.00 C ATOM 1525 O ILE A 102 2.578 3.526 -5.407 1.00 0.00 O ATOM 1526 CB ILE A 102 1.598 0.543 -6.123 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.533 -0.549 -6.234 1.00 0.00 C ATOM 1528 CG2 ILE A 102 2.986 -0.036 -5.840 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.492 -1.134 -7.647 1.00 0.00 C ATOM 0 H ILE A 102 0.092 2.657 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 102 0.975 1.013 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 102 1.648 1.042 -7.091 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.743 -1.341 -5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.443 -0.137 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.236 -0.771 -6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.724 0.766 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.988 -0.516 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.274 -1.908 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.258 -0.344 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.462 -1.567 -7.890 1.00 0.00 H new ATOM 1541 N THR A 103 3.023 2.223 -3.613 1.00 0.00 N ATOM 1542 CA THR A 103 4.128 3.046 -3.149 1.00 0.00 C ATOM 1543 C THR A 103 5.174 2.184 -2.440 1.00 0.00 C ATOM 1544 O THR A 103 4.875 1.075 -1.999 1.00 0.00 O ATOM 1545 CB THR A 103 3.553 4.154 -2.265 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.346 4.531 -2.921 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.405 5.426 -2.293 1.00 0.00 C ATOM 0 H THR A 103 2.828 1.406 -3.035 1.00 0.00 H new ATOM 0 HA THR A 103 4.650 3.514 -3.983 1.00 0.00 H new ATOM 0 HB THR A 103 3.470 3.794 -1.239 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.907 5.245 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.953 6.181 -1.649 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.410 5.199 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.460 5.805 -3.314 1.00 0.00 H new ATOM 1555 N ALA A 104 6.380 2.726 -2.353 1.00 0.00 N ATOM 1556 CA ALA A 104 7.472 2.020 -1.705 1.00 0.00 C ATOM 1557 C ALA A 104 7.898 2.788 -0.452 1.00 0.00 C ATOM 1558 O ALA A 104 7.627 3.982 -0.330 1.00 0.00 O ATOM 1559 CB ALA A 104 8.623 1.838 -2.697 1.00 0.00 C ATOM 0 H ALA A 104 6.625 3.646 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 104 7.153 1.026 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.442 1.308 -2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.276 1.261 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.971 2.815 -3.033 1.00 0.00 H new ATOM 1565 N GLN A 105 8.558 2.073 0.447 1.00 0.00 N ATOM 1566 CA GLN A 105 9.024 2.672 1.685 1.00 0.00 C ATOM 1567 C GLN A 105 10.546 2.554 1.793 1.00 0.00 C ATOM 1568 O GLN A 105 11.096 1.458 1.693 1.00 0.00 O ATOM 1569 CB GLN A 105 8.338 2.035 2.895 1.00 0.00 C ATOM 1570 CG GLN A 105 8.900 2.597 4.203 1.00 0.00 C ATOM 1571 CD GLN A 105 8.500 1.721 5.392 1.00 0.00 C ATOM 1572 OE1 GLN A 105 8.656 0.511 5.385 1.00 0.00 O ATOM 1573 NE2 GLN A 105 7.977 2.398 6.411 1.00 0.00 N ATOM 0 H GLN A 105 8.781 1.083 0.342 1.00 0.00 H new ATOM 0 HA GLN A 105 8.761 3.730 1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.265 2.219 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.478 0.954 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.987 2.657 4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.533 3.612 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.875 3.411 6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.679 1.904 7.252 1.00 0.00 H new ATOM 1582 N THR A 106 11.184 3.697 1.995 1.00 0.00 N ATOM 1583 CA THR A 106 12.631 3.736 2.116 1.00 0.00 C ATOM 1584 C THR A 106 13.038 4.387 3.440 1.00 0.00 C ATOM 1585 O THR A 106 12.193 4.637 4.298 1.00 0.00 O ATOM 1586 CB THR A 106 13.190 4.456 0.888 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.211 5.447 0.591 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.208 3.565 -0.356 1.00 0.00 C ATOM 0 H THR A 106 10.725 4.604 2.078 1.00 0.00 H new ATOM 0 HA THR A 106 13.053 2.731 2.140 1.00 0.00 H new ATOM 0 HB THR A 106 14.201 4.803 1.100 1.00 0.00 H new ATOM 0 HG1 THR A 106 12.006 5.958 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.614 4.125 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 106 13.830 2.690 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.193 3.244 -0.589 1.00 0.00 H new ATOM 1596 N ARG A 107 14.332 4.643 3.564 1.00 0.00 N ATOM 1597 CA ARG A 107 14.861 5.260 4.768 1.00 0.00 C ATOM 1598 C ARG A 107 14.639 6.773 4.731 1.00 0.00 C ATOM 1599 O ARG A 107 15.062 7.489 5.637 1.00 0.00 O ATOM 1600 CB ARG A 107 16.356 4.975 4.922 1.00 0.00 C ATOM 1601 CG ARG A 107 17.170 5.729 3.868 1.00 0.00 C ATOM 1602 CD ARG A 107 18.671 5.528 4.087 1.00 0.00 C ATOM 1603 NE ARG A 107 19.344 5.291 2.790 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.651 5.029 2.660 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.435 4.970 3.745 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.176 4.827 1.443 1.00 0.00 N ATOM 0 H ARG A 107 15.030 4.434 2.850 1.00 0.00 H new ATOM 0 HA ARG A 107 14.331 4.832 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.685 5.268 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.537 3.904 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.894 5.381 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.932 6.792 3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.097 6.406 4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 107 18.840 4.682 4.754 1.00 0.00 H new ATOM 0 HE ARG A 107 18.777 5.330 1.943 1.00 0.00 H new ATOM 0 HH11 ARG A 107 21.037 5.125 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.430 4.770 3.645 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.580 4.873 0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.171 4.627 1.344 1.00 0.00 H new ATOM 1620 N LYS A 108 13.975 7.216 3.673 1.00 0.00 N ATOM 1621 CA LYS A 108 13.692 8.631 3.505 1.00 0.00 C ATOM 1622 C LYS A 108 12.187 8.866 3.653 1.00 0.00 C ATOM 1623 O LYS A 108 11.761 9.943 4.069 1.00 0.00 O ATOM 1624 CB LYS A 108 14.266 9.140 2.182 1.00 0.00 C ATOM 1625 CG LYS A 108 15.677 8.595 1.951 1.00 0.00 C ATOM 1626 CD LYS A 108 16.682 9.256 2.896 1.00 0.00 C ATOM 1627 CE LYS A 108 17.086 10.641 2.384 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.406 11.539 3.517 1.00 0.00 N ATOM 0 H LYS A 108 13.625 6.619 2.923 1.00 0.00 H new ATOM 0 HA LYS A 108 14.185 9.213 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.617 8.839 1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.289 10.230 2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.683 7.516 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.974 8.772 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.247 9.345 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.567 8.627 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 108 17.950 10.554 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.276 11.067 1.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 17.678 12.474 3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.571 11.636 4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 18.194 11.139 4.066 1.00 0.00 H new ATOM 1642 N GLY A 109 11.423 7.841 3.305 1.00 0.00 N ATOM 1643 CA GLY A 109 9.975 7.923 3.394 1.00 0.00 C ATOM 1644 C GLY A 109 9.312 7.169 2.240 1.00 0.00 C ATOM 1645 O GLY A 109 9.810 6.134 1.802 1.00 0.00 O ATOM 0 H GLY A 109 11.779 6.949 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.641 7.507 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.664 8.968 3.377 1.00 0.00 H new ATOM 1649 N TRP A 110 8.197 7.718 1.780 1.00 0.00 N ATOM 1650 CA TRP A 110 7.460 7.111 0.685 1.00 0.00 C ATOM 1651 C TRP A 110 7.642 7.991 -0.553 1.00 0.00 C ATOM 1652 O TRP A 110 7.250 9.156 -0.554 1.00 0.00 O ATOM 1653 CB TRP A 110 5.991 6.904 1.061 1.00 0.00 C ATOM 1654 CG TRP A 110 5.775 5.915 2.208 1.00 0.00 C ATOM 1655 CD1 TRP A 110 5.806 6.160 3.525 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.492 4.505 2.086 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.565 5.016 4.258 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.367 3.978 3.355 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.346 3.702 0.941 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.091 2.627 3.600 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.070 2.355 1.203 1.00 0.00 C ATOM 1662 CH2 TRP A 110 4.941 1.808 2.474 1.00 0.00 C ATOM 0 H TRP A 110 7.786 8.577 2.146 1.00 0.00 H new ATOM 0 HA TRP A 110 7.847 6.116 0.464 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.559 7.866 1.338 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.448 6.551 0.184 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.996 7.131 3.958 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.537 4.945 5.275 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.439 4.094 -0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.999 2.238 4.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.949 1.694 0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.726 0.756 2.593 1.00 0.00 H new ATOM 1673 N GLY A 111 8.238 7.398 -1.578 1.00 0.00 N ATOM 1674 CA GLY A 111 8.477 8.114 -2.820 1.00 0.00 C ATOM 1675 C GLY A 111 7.197 8.209 -3.653 1.00 0.00 C ATOM 1676 O GLY A 111 6.095 8.194 -3.108 1.00 0.00 O ATOM 0 H GLY A 111 8.562 6.431 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.848 9.115 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.252 7.605 -3.394 1.00 0.00 H new ATOM 1680 N GLU A 112 7.386 8.305 -4.961 1.00 0.00 N ATOM 1681 CA GLU A 112 6.261 8.403 -5.875 1.00 0.00 C ATOM 1682 C GLU A 112 5.263 7.274 -5.610 1.00 0.00 C ATOM 1683 O GLU A 112 5.537 6.371 -4.821 1.00 0.00 O ATOM 1684 CB GLU A 112 6.733 8.388 -7.330 1.00 0.00 C ATOM 1685 CG GLU A 112 6.370 9.694 -8.038 1.00 0.00 C ATOM 1686 CD GLU A 112 7.535 10.197 -8.892 1.00 0.00 C ATOM 1687 OE1 GLU A 112 8.649 10.293 -8.333 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.286 10.475 -10.085 1.00 0.00 O ATOM 0 H GLU A 112 8.302 8.317 -5.410 1.00 0.00 H new ATOM 0 HA GLU A 112 5.758 9.354 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.812 8.240 -7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.279 7.547 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.494 9.539 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.103 10.450 -7.300 1.00 0.00 H new ATOM 1695 N ALA A 113 4.126 7.362 -6.285 1.00 0.00 N ATOM 1696 CA ALA A 113 3.086 6.359 -6.132 1.00 0.00 C ATOM 1697 C ALA A 113 2.395 6.138 -7.480 1.00 0.00 C ATOM 1698 O ALA A 113 1.998 7.096 -8.142 1.00 0.00 O ATOM 1699 CB ALA A 113 2.108 6.798 -5.041 1.00 0.00 C ATOM 0 H ALA A 113 3.902 8.112 -6.939 1.00 0.00 H new ATOM 0 HA ALA A 113 3.515 5.407 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.328 6.045 -4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.642 6.913 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.655 7.750 -5.320 1.00 0.00 H new ATOM 1705 N ALA A 114 2.272 4.871 -7.845 1.00 0.00 N ATOM 1706 CA ALA A 114 1.636 4.513 -9.101 1.00 0.00 C ATOM 1707 C ALA A 114 0.145 4.267 -8.861 1.00 0.00 C ATOM 1708 O ALA A 114 -0.227 3.374 -8.102 1.00 0.00 O ATOM 1709 CB ALA A 114 2.338 3.292 -9.700 1.00 0.00 C ATOM 0 H ALA A 114 2.602 4.079 -7.293 1.00 0.00 H new ATOM 0 HA ALA A 114 1.725 5.327 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.860 3.024 -10.642 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.387 3.527 -9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.267 2.455 -9.006 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.670 5.077 -9.523 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.112 4.959 -9.391 1.00 0.00 C ATOM 1717 C GLU A 115 -2.682 4.111 -10.530 1.00 0.00 C ATOM 1718 O GLU A 115 -2.424 4.385 -11.701 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.773 6.338 -9.349 1.00 0.00 C ATOM 1720 CG GLU A 115 -3.086 6.753 -7.910 1.00 0.00 C ATOM 1721 CD GLU A 115 -4.126 7.875 -7.877 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -4.973 7.891 -8.797 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.051 8.691 -6.933 1.00 0.00 O ATOM 0 H GLU A 115 -0.358 5.817 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.331 4.459 -8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.114 7.075 -9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.692 6.323 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.456 5.893 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.172 7.084 -7.416 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.446 3.099 -10.146 1.00 0.00 N ATOM 1731 CA ALA A 116 -4.054 2.210 -11.121 1.00 0.00 C ATOM 1732 C ALA A 116 -5.514 1.960 -10.736 1.00 0.00 C ATOM 1733 O ALA A 116 -5.804 1.579 -9.603 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.244 0.915 -11.206 1.00 0.00 C ATOM 0 H ALA A 116 -3.658 2.875 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.047 2.665 -12.112 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.700 0.248 -11.937 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.223 1.144 -11.511 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.231 0.429 -10.230 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.394 2.185 -11.701 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.816 1.990 -11.477 1.00 0.00 C ATOM 1742 C LEU A 117 -8.213 0.588 -11.944 1.00 0.00 C ATOM 1743 O LEU A 117 -7.785 0.139 -13.006 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.621 3.110 -12.139 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.655 4.444 -11.391 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.582 5.621 -12.366 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.880 4.531 -10.479 1.00 0.00 C ATOM 0 H LEU A 117 -6.149 2.500 -12.640 1.00 0.00 H new ATOM 0 HA LEU A 117 -8.046 2.050 -10.413 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.212 3.285 -13.134 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.646 2.764 -12.271 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.774 4.499 -10.752 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.608 6.557 -11.809 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.655 5.564 -12.937 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.431 5.581 -13.048 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.879 5.489 -9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.786 4.444 -11.078 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.848 3.722 -9.749 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.028 -0.064 -11.127 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.487 -1.406 -11.443 1.00 0.00 C ATOM 1761 C VAL A 118 -10.944 -1.559 -11.000 1.00 0.00 C ATOM 1762 O VAL A 118 -11.268 -1.342 -9.834 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.557 -2.441 -10.808 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.575 -2.330 -9.282 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -8.923 -3.856 -11.259 1.00 0.00 C ATOM 0 H VAL A 118 -9.382 0.312 -10.247 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.454 -1.577 -12.519 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.542 -2.233 -11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.906 -3.077 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.244 -1.335 -8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.588 -2.500 -8.917 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.247 -4.573 -10.793 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.948 -4.079 -10.962 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.836 -3.926 -12.343 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.784 -1.931 -11.955 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.198 -2.115 -11.678 1.00 0.00 C ATOM 1777 C VAL A 119 -13.413 -3.486 -11.035 1.00 0.00 C ATOM 1778 O VAL A 119 -12.678 -4.431 -11.319 1.00 0.00 O ATOM 1779 CB VAL A 119 -14.012 -1.922 -12.959 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.340 -2.678 -12.885 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.242 -0.436 -13.244 1.00 0.00 C ATOM 0 H VAL A 119 -11.512 -2.110 -12.922 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.549 -1.365 -10.970 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.437 -2.337 -13.787 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.898 -2.524 -13.808 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.146 -3.742 -12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.923 -2.307 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.823 -0.327 -14.160 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.786 0.014 -12.413 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.281 0.065 -13.362 1.00 0.00 H new ATOM 1791 N THR A 120 -14.423 -3.552 -10.180 1.00 0.00 N ATOM 1792 CA THR A 120 -14.744 -4.792 -9.494 1.00 0.00 C ATOM 1793 C THR A 120 -15.836 -5.552 -10.250 1.00 0.00 C ATOM 1794 O THR A 120 -17.000 -5.158 -10.228 1.00 0.00 O ATOM 1795 CB THR A 120 -15.127 -4.450 -8.053 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.914 -3.268 -8.175 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.924 -4.012 -7.215 1.00 0.00 C ATOM 0 H THR A 120 -15.030 -2.766 -9.947 1.00 0.00 H new ATOM 0 HA THR A 120 -13.885 -5.463 -9.466 1.00 0.00 H new ATOM 0 HB THR A 120 -15.597 -5.316 -7.587 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.018 -2.852 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.251 -3.781 -6.201 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.189 -4.817 -7.185 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.473 -3.126 -7.661 1.00 0.00 H new ATOM 1805 N THR A 121 -15.420 -6.630 -10.900 1.00 0.00 N ATOM 1806 CA THR A 121 -16.348 -7.449 -11.661 1.00 0.00 C ATOM 1807 C THR A 121 -15.645 -8.699 -12.191 1.00 0.00 C ATOM 1808 O THR A 121 -14.443 -8.872 -11.991 1.00 0.00 O ATOM 1809 CB THR A 121 -16.953 -6.578 -12.763 1.00 0.00 C ATOM 1810 OG1 THR A 121 -17.718 -7.490 -13.546 1.00 0.00 O ATOM 1811 CG2 THR A 121 -15.898 -6.046 -13.735 1.00 0.00 C ATOM 0 H THR A 121 -14.453 -6.955 -10.915 1.00 0.00 H new ATOM 0 HA THR A 121 -17.161 -7.814 -11.033 1.00 0.00 H new ATOM 0 HB THR A 121 -17.486 -5.741 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.147 -7.008 -14.283 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.381 -5.434 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.173 -5.441 -13.190 1.00 0.00 H new ATOM 0 HG23 THR A 121 -15.387 -6.883 -14.212 1.00 0.00 H new