USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 713 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 47 ASN : amide:sc= -3.7! C(o=-12!,f=-13!) USER MOD Set 1.2: A 52 GLN : amide:sc= -8.47! C(o=-12!,f=-14!) USER MOD Single : A 30 GLN : amide:sc= -5.5! C(o=-5.5!,f=-6.9!) USER MOD Single : A 31 THR OG1 : rot -165:sc= 0.114 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= 0.00694 F(o=-1!,f=0.0069) USER MOD Single : A 46 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.15) USER MOD Single : A 50 TYR OH : rot -133:sc= 0.0362! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -10.2! C(o=-10!,f=-9.7!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.5!) USER MOD Single : A 76 SER OG : rot -92:sc= -0.306 USER MOD Single : A 79 HIS : no HD1:sc= -0.0235 X(o=-0.024,f=-0.0047) USER MOD Single : A 81 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.28) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.203 USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0858 (180deg=-0.41) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.0185 X(o=0.018,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 104 GLN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -168:sc= -0.18 (180deg=-0.509) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 380 N VAL A 28 -11.474 -0.720 -11.507 1.00 0.00 N ATOM 381 CA VAL A 28 -10.234 -0.889 -10.759 1.00 0.00 C ATOM 382 C VAL A 28 -9.127 -1.441 -11.650 1.00 0.00 C ATOM 383 O VAL A 28 -9.372 -1.834 -12.791 1.00 0.00 O ATOM 384 CB VAL A 28 -10.428 -1.832 -9.556 1.00 0.00 C ATOM 385 CG1 VAL A 28 -11.793 -1.613 -8.921 1.00 0.00 C ATOM 386 CG2 VAL A 28 -10.254 -3.282 -9.982 1.00 0.00 C ATOM 0 HA VAL A 28 -9.946 0.097 -10.395 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.667 -1.603 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.912 -2.288 -8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.874 -0.581 -8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -12.573 -1.813 -9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.394 -3.934 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.991 -3.528 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.252 -3.425 -10.385 1.00 0.00 H new ATOM 396 N ILE A 29 -7.908 -1.469 -11.121 1.00 0.00 N ATOM 397 CA ILE A 29 -6.763 -1.975 -11.868 1.00 0.00 C ATOM 398 C ILE A 29 -6.331 -3.343 -11.352 1.00 0.00 C ATOM 399 O ILE A 29 -6.389 -3.611 -10.152 1.00 0.00 O ATOM 400 CB ILE A 29 -5.567 -1.008 -11.787 1.00 0.00 C ATOM 401 CG1 ILE A 29 -5.967 0.377 -12.302 1.00 0.00 C ATOM 402 CG2 ILE A 29 -4.390 -1.554 -12.581 1.00 0.00 C ATOM 403 CD1 ILE A 29 -6.230 0.415 -13.791 1.00 0.00 C ATOM 0 H ILE A 29 -7.688 -1.147 -10.178 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.079 -2.064 -12.907 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.265 -0.914 -10.744 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.862 0.707 -11.775 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.176 1.087 -12.063 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.553 -0.860 -12.514 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.093 -2.521 -12.174 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.680 -1.674 -13.625 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.508 1.427 -14.086 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.330 0.116 -14.327 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.042 -0.270 -14.035 1.00 0.00 H new ATOM 415 N GLN A 30 -5.898 -4.204 -12.267 1.00 0.00 N ATOM 416 CA GLN A 30 -5.455 -5.545 -11.904 1.00 0.00 C ATOM 417 C GLN A 30 -4.526 -6.119 -12.969 1.00 0.00 C ATOM 418 O GLN A 30 -4.909 -6.265 -14.130 1.00 0.00 O ATOM 419 CB GLN A 30 -6.660 -6.468 -11.711 1.00 0.00 C ATOM 420 CG GLN A 30 -7.651 -6.424 -12.863 1.00 0.00 C ATOM 421 CD GLN A 30 -8.198 -5.032 -13.109 1.00 0.00 C ATOM 422 OE1 GLN A 30 -7.730 -4.316 -13.995 1.00 0.00 O ATOM 423 NE2 GLN A 30 -9.195 -4.640 -12.325 1.00 0.00 N ATOM 0 H GLN A 30 -5.844 -3.997 -13.264 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.904 -5.477 -10.966 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.307 -7.491 -11.586 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.174 -6.193 -10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.165 -6.785 -13.769 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.477 -7.103 -12.653 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.552 -5.266 -11.603 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.604 -3.713 -12.445 1.00 0.00 H new ATOM 432 N THR A 31 -3.301 -6.442 -12.566 1.00 0.00 N ATOM 433 CA THR A 31 -2.316 -6.997 -13.485 1.00 0.00 C ATOM 434 C THR A 31 -1.439 -8.033 -12.791 1.00 0.00 C ATOM 435 O THR A 31 -1.251 -7.989 -11.575 1.00 0.00 O ATOM 436 CB THR A 31 -1.418 -5.896 -14.079 1.00 0.00 C ATOM 437 OG1 THR A 31 -0.758 -6.382 -15.253 1.00 0.00 O ATOM 438 CG2 THR A 31 -0.383 -5.435 -13.064 1.00 0.00 C ATOM 0 H THR A 31 -2.968 -6.329 -11.609 1.00 0.00 H new ATOM 0 HA THR A 31 -2.871 -7.476 -14.291 1.00 0.00 H new ATOM 0 HB THR A 31 -2.049 -5.047 -14.342 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.019 -5.782 -15.485 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.239 -4.657 -13.507 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.888 -5.038 -12.184 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.243 -6.279 -12.773 1.00 0.00 H new ATOM 446 N LYS A 32 -0.901 -8.965 -13.571 1.00 0.00 N ATOM 447 CA LYS A 32 -0.041 -10.012 -13.032 1.00 0.00 C ATOM 448 C LYS A 32 1.429 -9.687 -13.276 1.00 0.00 C ATOM 449 O LYS A 32 1.894 -9.685 -14.417 1.00 0.00 O ATOM 450 CB LYS A 32 -0.388 -11.361 -13.665 1.00 0.00 C ATOM 451 CG LYS A 32 -1.783 -11.855 -13.319 1.00 0.00 C ATOM 452 CD LYS A 32 -2.840 -11.187 -14.182 1.00 0.00 C ATOM 453 CE LYS A 32 -3.949 -10.580 -13.335 1.00 0.00 C ATOM 454 NZ LYS A 32 -4.901 -9.783 -14.157 1.00 0.00 N ATOM 0 H LYS A 32 -1.046 -9.016 -14.579 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.209 -10.068 -11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.299 -11.278 -14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.342 -12.103 -13.341 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.831 -12.936 -13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.991 -11.655 -12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.377 -10.409 -14.789 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.265 -11.918 -14.870 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.490 -11.375 -12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.512 -9.943 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.641 -9.386 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.390 -9.009 -14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.338 -10.396 -14.875 1.00 0.00 H new ATOM 468 N LEU A 33 2.157 -9.415 -12.199 1.00 0.00 N ATOM 469 CA LEU A 33 3.576 -9.090 -12.296 1.00 0.00 C ATOM 470 C LEU A 33 4.431 -10.348 -12.182 1.00 0.00 C ATOM 471 O LEU A 33 4.093 -11.278 -11.447 1.00 0.00 O ATOM 472 CB LEU A 33 3.967 -8.093 -11.203 1.00 0.00 C ATOM 473 CG LEU A 33 2.949 -6.992 -10.905 1.00 0.00 C ATOM 474 CD1 LEU A 33 3.083 -6.517 -9.466 1.00 0.00 C ATOM 475 CD2 LEU A 33 3.124 -5.828 -11.870 1.00 0.00 C ATOM 0 H LEU A 33 1.788 -9.413 -11.248 1.00 0.00 H new ATOM 0 HA LEU A 33 3.755 -8.638 -13.272 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.153 -8.647 -10.283 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.908 -7.623 -11.488 1.00 0.00 H new ATOM 0 HG LEU A 33 1.948 -7.403 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.351 -5.733 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.908 -7.353 -8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.087 -6.124 -9.305 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.391 -5.054 -11.643 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.129 -5.418 -11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.978 -6.178 -12.892 1.00 0.00 H new ATOM 487 N THR A 34 5.542 -10.371 -12.912 1.00 0.00 N ATOM 488 CA THR A 34 6.446 -11.513 -12.892 1.00 0.00 C ATOM 489 C THR A 34 7.521 -11.345 -11.824 1.00 0.00 C ATOM 490 O THR A 34 8.562 -10.735 -12.068 1.00 0.00 O ATOM 491 CB THR A 34 7.125 -11.716 -14.260 1.00 0.00 C ATOM 492 OG1 THR A 34 6.136 -11.967 -15.265 1.00 0.00 O ATOM 493 CG2 THR A 34 8.109 -12.875 -14.209 1.00 0.00 C ATOM 0 H THR A 34 5.837 -9.611 -13.525 1.00 0.00 H new ATOM 0 HA THR A 34 5.842 -12.390 -12.661 1.00 0.00 H new ATOM 0 HB THR A 34 7.672 -10.806 -14.508 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.575 -12.093 -16.132 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.576 -12.999 -15.186 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.877 -12.668 -13.464 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.580 -13.790 -13.941 1.00 0.00 H new ATOM 501 N VAL A 35 7.263 -11.891 -10.640 1.00 0.00 N ATOM 502 CA VAL A 35 8.210 -11.803 -9.535 1.00 0.00 C ATOM 503 C VAL A 35 9.642 -11.990 -10.022 1.00 0.00 C ATOM 504 O VAL A 35 9.948 -12.950 -10.728 1.00 0.00 O ATOM 505 CB VAL A 35 7.906 -12.854 -8.451 1.00 0.00 C ATOM 506 CG1 VAL A 35 8.978 -12.833 -7.372 1.00 0.00 C ATOM 507 CG2 VAL A 35 6.529 -12.616 -7.850 1.00 0.00 C ATOM 0 H VAL A 35 6.406 -12.399 -10.421 1.00 0.00 H new ATOM 0 HA VAL A 35 8.103 -10.807 -9.105 1.00 0.00 H new ATOM 0 HB VAL A 35 7.910 -13.841 -8.914 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.747 -13.582 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.947 -13.055 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.009 -11.847 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.331 -13.368 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.495 -11.624 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.773 -12.686 -8.633 1.00 0.00 H new ATOM 517 N GLY A 36 10.518 -11.066 -9.639 1.00 0.00 N ATOM 518 CA GLY A 36 11.908 -11.148 -10.046 1.00 0.00 C ATOM 519 C GLY A 36 12.812 -11.629 -8.929 1.00 0.00 C ATOM 520 O GLY A 36 12.368 -11.805 -7.795 1.00 0.00 O ATOM 0 H GLY A 36 10.289 -10.262 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.995 -11.824 -10.896 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.243 -10.167 -10.383 1.00 0.00 H new ATOM 524 N ASN A 37 14.083 -11.846 -9.249 1.00 0.00 N ATOM 525 CA ASN A 37 15.051 -12.313 -8.264 1.00 0.00 C ATOM 526 C ASN A 37 14.930 -11.522 -6.965 1.00 0.00 C ATOM 527 O ASN A 37 14.917 -12.095 -5.875 1.00 0.00 O ATOM 528 CB ASN A 37 16.473 -12.192 -8.817 1.00 0.00 C ATOM 529 CG ASN A 37 16.560 -12.588 -10.279 1.00 0.00 C ATOM 530 OD1 ASN A 37 16.345 -11.623 -11.166 1.00 0.00 O flip ATOM 531 ND2 ASN A 37 16.817 -13.746 -10.606 1.00 0.00 N flip ATOM 0 H ASN A 37 14.467 -11.706 -10.184 1.00 0.00 H new ATOM 0 HA ASN A 37 14.839 -13.361 -8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.819 -11.165 -8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.142 -12.823 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.975 -14.455 -9.890 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.872 -13.997 -11.593 1.00 0.00 H new ATOM 538 N LEU A 38 14.843 -10.202 -7.089 1.00 0.00 N ATOM 539 CA LEU A 38 14.722 -9.331 -5.925 1.00 0.00 C ATOM 540 C LEU A 38 13.259 -9.135 -5.541 1.00 0.00 C ATOM 541 O LEU A 38 12.952 -8.586 -4.483 1.00 0.00 O ATOM 542 CB LEU A 38 15.373 -7.976 -6.209 1.00 0.00 C ATOM 543 CG LEU A 38 16.502 -7.976 -7.239 1.00 0.00 C ATOM 544 CD1 LEU A 38 16.120 -7.139 -8.450 1.00 0.00 C ATOM 545 CD2 LEU A 38 17.792 -7.459 -6.618 1.00 0.00 C ATOM 0 H LEU A 38 14.854 -9.712 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 38 15.236 -9.807 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.599 -7.288 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.763 -7.580 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 38 16.666 -9.002 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.936 -7.151 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.222 -7.553 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.927 -6.113 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 38 18.584 -7.466 -7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.641 -6.441 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.076 -8.099 -5.783 1.00 0.00 H new ATOM 557 N GLY A 39 12.359 -9.589 -6.408 1.00 0.00 N ATOM 558 CA GLY A 39 10.938 -9.456 -6.141 1.00 0.00 C ATOM 559 C GLY A 39 10.482 -8.011 -6.136 1.00 0.00 C ATOM 560 O GLY A 39 11.239 -7.114 -5.760 1.00 0.00 O ATOM 0 H GLY A 39 12.588 -10.046 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.377 -10.008 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.709 -9.909 -5.177 1.00 0.00 H new ATOM 564 N LEU A 40 9.243 -7.782 -6.556 1.00 0.00 N ATOM 565 CA LEU A 40 8.686 -6.434 -6.601 1.00 0.00 C ATOM 566 C LEU A 40 8.983 -5.680 -5.309 1.00 0.00 C ATOM 567 O LEU A 40 8.310 -5.873 -4.297 1.00 0.00 O ATOM 568 CB LEU A 40 7.176 -6.492 -6.836 1.00 0.00 C ATOM 569 CG LEU A 40 6.483 -7.793 -6.430 1.00 0.00 C ATOM 570 CD1 LEU A 40 5.194 -7.499 -5.679 1.00 0.00 C ATOM 571 CD2 LEU A 40 6.205 -8.654 -7.653 1.00 0.00 C ATOM 0 H LEU A 40 8.604 -8.512 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 40 9.155 -5.901 -7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.712 -5.671 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.986 -6.318 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 40 7.149 -8.345 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.715 -8.437 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.419 -6.923 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.523 -6.926 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.712 -9.576 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.559 -8.110 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.145 -8.894 -8.150 1.00 0.00 H new ATOM 583 N GLY A 41 9.994 -4.817 -5.352 1.00 0.00 N ATOM 584 CA GLY A 41 10.360 -4.045 -4.179 1.00 0.00 C ATOM 585 C GLY A 41 9.610 -2.730 -4.093 1.00 0.00 C ATOM 586 O GLY A 41 10.026 -1.815 -3.382 1.00 0.00 O ATOM 0 H GLY A 41 10.566 -4.639 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.159 -4.633 -3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.432 -3.848 -4.197 1.00 0.00 H new ATOM 590 N LEU A 42 8.502 -2.635 -4.819 1.00 0.00 N ATOM 591 CA LEU A 42 7.692 -1.422 -4.823 1.00 0.00 C ATOM 592 C LEU A 42 7.865 -0.647 -3.520 1.00 0.00 C ATOM 593 O LEU A 42 7.721 -1.203 -2.431 1.00 0.00 O ATOM 594 CB LEU A 42 6.217 -1.770 -5.030 1.00 0.00 C ATOM 595 CG LEU A 42 5.778 -3.150 -4.538 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.149 -3.048 -3.157 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.806 -3.783 -5.523 1.00 0.00 C ATOM 0 H LEU A 42 8.144 -3.383 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 42 8.029 -0.793 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.612 -1.017 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.993 -1.697 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 42 6.659 -3.787 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.843 -4.039 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.875 -2.637 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.278 -2.395 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.504 -4.764 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.926 -3.148 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.290 -3.891 -6.494 1.00 0.00 H new ATOM 609 N VAL A 43 8.172 0.641 -3.640 1.00 0.00 N ATOM 610 CA VAL A 43 8.361 1.493 -2.472 1.00 0.00 C ATOM 611 C VAL A 43 7.033 2.062 -1.987 1.00 0.00 C ATOM 612 O VAL A 43 6.777 3.261 -2.108 1.00 0.00 O ATOM 613 CB VAL A 43 9.325 2.655 -2.776 1.00 0.00 C ATOM 614 CG1 VAL A 43 9.331 3.657 -1.632 1.00 0.00 C ATOM 615 CG2 VAL A 43 10.727 2.128 -3.042 1.00 0.00 C ATOM 0 H VAL A 43 8.295 1.117 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 43 8.792 0.868 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 43 8.978 3.167 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.018 4.471 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.327 4.058 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.653 3.161 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.395 2.963 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 43 11.086 1.590 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.706 1.453 -3.897 1.00 0.00 H new ATOM 625 N VAL A 44 6.190 1.195 -1.436 1.00 0.00 N ATOM 626 CA VAL A 44 4.887 1.612 -0.930 1.00 0.00 C ATOM 627 C VAL A 44 5.009 2.228 0.459 1.00 0.00 C ATOM 628 O VAL A 44 5.997 2.012 1.161 1.00 0.00 O ATOM 629 CB VAL A 44 3.904 0.428 -0.869 1.00 0.00 C ATOM 630 CG1 VAL A 44 4.543 -0.763 -0.170 1.00 0.00 C ATOM 631 CG2 VAL A 44 2.617 0.839 -0.170 1.00 0.00 C ATOM 0 H VAL A 44 6.386 0.200 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 44 4.502 2.359 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 44 3.658 0.131 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.833 -1.589 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.433 -1.072 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.821 -0.482 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.934 -0.010 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.842 1.164 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.151 1.658 -0.718 1.00 0.00 H new ATOM 641 N ILE A 45 3.998 2.997 0.850 1.00 0.00 N ATOM 642 CA ILE A 45 3.991 3.644 2.156 1.00 0.00 C ATOM 643 C ILE A 45 2.651 3.451 2.858 1.00 0.00 C ATOM 644 O ILE A 45 1.722 2.873 2.294 1.00 0.00 O ATOM 645 CB ILE A 45 4.284 5.151 2.039 1.00 0.00 C ATOM 646 CG1 ILE A 45 3.247 5.826 1.140 1.00 0.00 C ATOM 647 CG2 ILE A 45 5.689 5.377 1.500 1.00 0.00 C ATOM 648 CD1 ILE A 45 2.830 7.198 1.623 1.00 0.00 C ATOM 0 H ILE A 45 3.173 3.187 0.281 1.00 0.00 H new ATOM 0 HA ILE A 45 4.778 3.174 2.745 1.00 0.00 H new ATOM 0 HB ILE A 45 4.221 5.597 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.653 5.912 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.365 5.189 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.881 6.447 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.415 4.926 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.778 4.920 0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.093 7.617 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.394 7.116 2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.702 7.851 1.661 1.00 0.00 H new ATOM 660 N GLN A 46 2.559 3.940 4.091 1.00 0.00 N ATOM 661 CA GLN A 46 1.332 3.822 4.869 1.00 0.00 C ATOM 662 C GLN A 46 0.475 5.076 4.728 1.00 0.00 C ATOM 663 O GLN A 46 0.592 6.011 5.519 1.00 0.00 O ATOM 664 CB GLN A 46 1.660 3.576 6.343 1.00 0.00 C ATOM 665 CG GLN A 46 0.787 2.514 6.991 1.00 0.00 C ATOM 666 CD GLN A 46 -0.692 2.838 6.900 1.00 0.00 C ATOM 667 OE1 GLN A 46 -1.116 3.949 7.217 1.00 0.00 O ATOM 668 NE2 GLN A 46 -1.485 1.866 6.465 1.00 0.00 N ATOM 0 H GLN A 46 3.319 4.421 4.572 1.00 0.00 H new ATOM 0 HA GLN A 46 0.767 2.973 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.705 3.278 6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.549 4.511 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.975 1.553 6.512 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.068 2.408 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.090 0.960 6.213 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.489 2.025 6.383 1.00 0.00 H new ATOM 677 N ASN A 47 -0.385 5.088 3.716 1.00 0.00 N ATOM 678 CA ASN A 47 -1.261 6.228 3.471 1.00 0.00 C ATOM 679 C ASN A 47 -2.728 5.816 3.555 1.00 0.00 C ATOM 680 O ASN A 47 -3.251 5.158 2.656 1.00 0.00 O ATOM 681 CB ASN A 47 -0.969 6.837 2.098 1.00 0.00 C ATOM 682 CG ASN A 47 -1.619 8.195 1.917 1.00 0.00 C ATOM 683 OD1 ASN A 47 -1.287 9.153 2.617 1.00 0.00 O ATOM 684 ND2 ASN A 47 -2.551 8.284 0.976 1.00 0.00 N ATOM 0 H ASN A 47 -0.494 4.321 3.052 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.067 6.975 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.109 6.933 1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.325 6.161 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.024 9.172 0.809 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.794 7.464 0.420 1.00 0.00 H new ATOM 691 N GLY A 48 -3.386 6.207 4.641 1.00 0.00 N ATOM 692 CA GLY A 48 -4.786 5.870 4.823 1.00 0.00 C ATOM 693 C GLY A 48 -4.985 4.426 5.238 1.00 0.00 C ATOM 694 O GLY A 48 -4.054 3.750 5.678 1.00 0.00 O ATOM 0 H GLY A 48 -2.975 6.752 5.399 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.219 6.525 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.325 6.055 3.894 1.00 0.00 H new ATOM 698 N PRO A 49 -6.224 3.932 5.102 1.00 0.00 N ATOM 699 CA PRO A 49 -6.572 2.554 5.463 1.00 0.00 C ATOM 700 C PRO A 49 -5.956 1.533 4.513 1.00 0.00 C ATOM 701 O PRO A 49 -6.019 0.328 4.755 1.00 0.00 O ATOM 702 CB PRO A 49 -8.099 2.533 5.353 1.00 0.00 C ATOM 703 CG PRO A 49 -8.424 3.615 4.382 1.00 0.00 C ATOM 704 CD PRO A 49 -7.382 4.681 4.585 1.00 0.00 C ATOM 0 HA PRO A 49 -6.198 2.285 6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.457 1.565 5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.568 2.715 6.320 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.404 3.240 3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.425 4.009 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.145 5.194 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.717 5.441 5.291 1.00 0.00 H new ATOM 712 N TYR A 50 -5.359 2.023 3.431 1.00 0.00 N ATOM 713 CA TYR A 50 -4.733 1.153 2.443 1.00 0.00 C ATOM 714 C TYR A 50 -3.290 1.574 2.183 1.00 0.00 C ATOM 715 O TYR A 50 -2.879 2.679 2.541 1.00 0.00 O ATOM 716 CB TYR A 50 -5.527 1.176 1.136 1.00 0.00 C ATOM 717 CG TYR A 50 -6.998 1.467 1.326 1.00 0.00 C ATOM 718 CD1 TYR A 50 -7.845 0.526 1.898 1.00 0.00 C ATOM 719 CD2 TYR A 50 -7.542 2.685 0.934 1.00 0.00 C ATOM 720 CE1 TYR A 50 -9.190 0.787 2.073 1.00 0.00 C ATOM 721 CE2 TYR A 50 -8.886 2.955 1.107 1.00 0.00 C ATOM 722 CZ TYR A 50 -9.705 2.003 1.676 1.00 0.00 C ATOM 723 OH TYR A 50 -11.045 2.268 1.849 1.00 0.00 O ATOM 0 H TYR A 50 -5.296 3.018 3.217 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.730 0.138 2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.099 1.929 0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.417 0.213 0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.445 -0.427 2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.903 3.432 0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.834 0.043 2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.293 3.907 0.798 1.00 0.00 H new ATOM 0 HH TYR A 50 -11.414 2.642 1.022 1.00 0.00 H new ATOM 733 N LEU A 51 -2.525 0.686 1.558 1.00 0.00 N ATOM 734 CA LEU A 51 -1.127 0.964 1.247 1.00 0.00 C ATOM 735 C LEU A 51 -0.983 1.521 -0.165 1.00 0.00 C ATOM 736 O LEU A 51 -1.046 0.778 -1.144 1.00 0.00 O ATOM 737 CB LEU A 51 -0.289 -0.307 1.394 1.00 0.00 C ATOM 738 CG LEU A 51 -0.529 -1.126 2.663 1.00 0.00 C ATOM 739 CD1 LEU A 51 -0.098 -2.570 2.455 1.00 0.00 C ATOM 740 CD2 LEU A 51 0.209 -0.511 3.843 1.00 0.00 C ATOM 0 H LEU A 51 -2.849 -0.233 1.256 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.766 1.713 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.480 -0.946 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.765 -0.030 1.358 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.596 -1.115 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.276 -3.138 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.672 -3.007 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.964 -2.601 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.026 -1.107 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.278 -0.490 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.148 0.506 4.006 1.00 0.00 H new ATOM 752 N GLN A 52 -0.788 2.832 -0.262 1.00 0.00 N ATOM 753 CA GLN A 52 -0.633 3.488 -1.555 1.00 0.00 C ATOM 754 C GLN A 52 0.798 3.355 -2.065 1.00 0.00 C ATOM 755 O GLN A 52 1.748 3.742 -1.385 1.00 0.00 O ATOM 756 CB GLN A 52 -1.014 4.966 -1.450 1.00 0.00 C ATOM 757 CG GLN A 52 -2.499 5.227 -1.645 1.00 0.00 C ATOM 758 CD GLN A 52 -2.772 6.295 -2.686 1.00 0.00 C ATOM 759 OE1 GLN A 52 -2.684 7.490 -2.403 1.00 0.00 O ATOM 760 NE2 GLN A 52 -3.105 5.870 -3.899 1.00 0.00 N ATOM 0 H GLN A 52 -0.734 3.461 0.539 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.299 2.998 -2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.713 5.342 -0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.453 5.531 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.991 4.301 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.939 5.530 -0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.166 4.870 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.300 6.544 -4.640 1.00 0.00 H new ATOM 769 N ILE A 53 0.943 2.805 -3.266 1.00 0.00 N ATOM 770 CA ILE A 53 2.259 2.621 -3.867 1.00 0.00 C ATOM 771 C ILE A 53 2.924 3.963 -4.153 1.00 0.00 C ATOM 772 O ILE A 53 2.751 4.537 -5.228 1.00 0.00 O ATOM 773 CB ILE A 53 2.172 1.815 -5.176 1.00 0.00 C ATOM 774 CG1 ILE A 53 1.442 0.491 -4.938 1.00 0.00 C ATOM 775 CG2 ILE A 53 3.563 1.565 -5.738 1.00 0.00 C ATOM 776 CD1 ILE A 53 1.105 -0.251 -6.212 1.00 0.00 C ATOM 0 H ILE A 53 0.167 2.479 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 53 2.860 2.066 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 53 1.606 2.395 -5.905 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.061 -0.148 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.522 0.687 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.484 0.994 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.050 2.519 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.152 1.003 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.589 -1.179 -5.967 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.460 0.369 -6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.023 -0.478 -6.754 1.00 0.00 H new ATOM 788 N SER A 54 3.688 4.457 -3.184 1.00 0.00 N ATOM 789 CA SER A 54 4.379 5.733 -3.330 1.00 0.00 C ATOM 790 C SER A 54 5.316 5.708 -4.534 1.00 0.00 C ATOM 791 O SER A 54 5.430 6.691 -5.267 1.00 0.00 O ATOM 792 CB SER A 54 5.169 6.058 -2.061 1.00 0.00 C ATOM 793 OG SER A 54 6.426 6.632 -2.376 1.00 0.00 O ATOM 0 H SER A 54 3.844 3.993 -2.289 1.00 0.00 H new ATOM 0 HA SER A 54 3.629 6.508 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.597 6.746 -1.439 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.317 5.149 -1.478 1.00 0.00 H new ATOM 0 HG SER A 54 6.911 6.832 -1.548 1.00 0.00 H new ATOM 799 N HIS A 55 5.986 4.577 -4.731 1.00 0.00 N ATOM 800 CA HIS A 55 6.913 4.422 -5.846 1.00 0.00 C ATOM 801 C HIS A 55 7.126 2.948 -6.176 1.00 0.00 C ATOM 802 O HIS A 55 6.951 2.078 -5.321 1.00 0.00 O ATOM 803 CB HIS A 55 8.253 5.082 -5.518 1.00 0.00 C ATOM 804 CG HIS A 55 9.425 4.413 -6.168 1.00 0.00 C ATOM 805 ND1 HIS A 55 10.279 5.064 -7.033 1.00 0.00 N ATOM 806 CD2 HIS A 55 9.885 3.143 -6.073 1.00 0.00 C ATOM 807 CE1 HIS A 55 11.211 4.224 -7.444 1.00 0.00 C ATOM 808 NE2 HIS A 55 10.995 3.051 -6.876 1.00 0.00 N ATOM 0 H HIS A 55 5.904 3.755 -4.133 1.00 0.00 H new ATOM 0 HA HIS A 55 6.479 4.912 -6.718 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.221 6.126 -5.831 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.396 5.078 -4.437 1.00 0.00 H new ATOM 0 HD1 HIS A 55 10.203 6.042 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.458 2.350 -5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.014 4.456 -8.128 1.00 0.00 H new ATOM 817 N LEU A 56 7.503 2.673 -7.419 1.00 0.00 N ATOM 818 CA LEU A 56 7.739 1.303 -7.862 1.00 0.00 C ATOM 819 C LEU A 56 9.211 1.085 -8.198 1.00 0.00 C ATOM 820 O LEU A 56 9.851 1.939 -8.813 1.00 0.00 O ATOM 821 CB LEU A 56 6.874 0.985 -9.083 1.00 0.00 C ATOM 822 CG LEU A 56 5.378 1.266 -8.937 1.00 0.00 C ATOM 823 CD1 LEU A 56 4.830 1.912 -10.200 1.00 0.00 C ATOM 824 CD2 LEU A 56 4.623 -0.017 -8.621 1.00 0.00 C ATOM 0 H LEU A 56 7.652 3.380 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 56 7.468 0.632 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.250 1.559 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.003 -0.069 -9.330 1.00 0.00 H new ATOM 0 HG LEU A 56 5.237 1.960 -8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.764 2.104 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.350 2.852 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.983 1.243 -11.047 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.560 0.202 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.771 -0.735 -9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.996 -0.439 -7.688 1.00 0.00 H new ATOM 836 N ILE A 57 9.741 -0.063 -7.790 1.00 0.00 N ATOM 837 CA ILE A 57 11.137 -0.394 -8.051 1.00 0.00 C ATOM 838 C ILE A 57 11.372 -0.656 -9.534 1.00 0.00 C ATOM 839 O ILE A 57 10.920 -1.663 -10.077 1.00 0.00 O ATOM 840 CB ILE A 57 11.581 -1.630 -7.246 1.00 0.00 C ATOM 841 CG1 ILE A 57 11.861 -1.245 -5.792 1.00 0.00 C ATOM 842 CG2 ILE A 57 12.814 -2.259 -7.879 1.00 0.00 C ATOM 843 CD1 ILE A 57 10.945 -0.162 -5.267 1.00 0.00 C ATOM 0 H ILE A 57 9.226 -0.779 -7.278 1.00 0.00 H new ATOM 0 HA ILE A 57 11.730 0.466 -7.739 1.00 0.00 H new ATOM 0 HB ILE A 57 10.775 -2.363 -7.260 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.761 -2.130 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.894 -0.909 -5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.116 -3.131 -7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.584 -2.564 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.627 -1.533 -7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.201 0.060 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.062 0.738 -5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.911 -0.503 -5.320 1.00 0.00 H new ATOM 855 N ASN A 58 12.085 0.258 -10.185 1.00 0.00 N ATOM 856 CA ASN A 58 12.383 0.126 -11.606 1.00 0.00 C ATOM 857 C ASN A 58 12.875 -1.282 -11.930 1.00 0.00 C ATOM 858 O ASN A 58 12.478 -1.875 -12.934 1.00 0.00 O ATOM 859 CB ASN A 58 13.434 1.155 -12.027 1.00 0.00 C ATOM 860 CG ASN A 58 13.883 0.969 -13.463 1.00 0.00 C ATOM 861 OD1 ASN A 58 13.091 1.109 -14.396 1.00 0.00 O ATOM 862 ND2 ASN A 58 15.159 0.652 -13.648 1.00 0.00 N ATOM 0 H ASN A 58 12.467 1.098 -9.750 1.00 0.00 H new ATOM 0 HA ASN A 58 11.464 0.308 -12.163 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.026 2.158 -11.904 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.298 1.079 -11.366 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.519 0.514 -14.593 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.780 0.546 -12.846 1.00 0.00 H new ATOM 869 N LYS A 59 13.741 -1.812 -11.074 1.00 0.00 N ATOM 870 CA LYS A 59 14.287 -3.150 -11.266 1.00 0.00 C ATOM 871 C LYS A 59 13.406 -4.199 -10.595 1.00 0.00 C ATOM 872 O LYS A 59 13.899 -5.077 -9.889 1.00 0.00 O ATOM 873 CB LYS A 59 15.709 -3.228 -10.705 1.00 0.00 C ATOM 874 CG LYS A 59 16.632 -2.144 -11.234 1.00 0.00 C ATOM 875 CD LYS A 59 17.566 -1.630 -10.151 1.00 0.00 C ATOM 876 CE LYS A 59 18.054 -0.223 -10.458 1.00 0.00 C ATOM 877 NZ LYS A 59 18.749 0.389 -9.292 1.00 0.00 N ATOM 0 H LYS A 59 14.080 -1.335 -10.239 1.00 0.00 H new ATOM 0 HA LYS A 59 14.313 -3.354 -12.336 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.666 -3.158 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.132 -4.203 -10.945 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.218 -2.537 -12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.038 -1.318 -11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.050 -1.636 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.420 -2.300 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 59 18.732 -0.252 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.207 0.401 -10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.067 1.347 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.095 0.440 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.572 -0.192 -9.034 1.00 0.00 H new ATOM 891 N GLY A 60 12.099 -4.100 -10.821 1.00 0.00 N ATOM 892 CA GLY A 60 11.171 -5.048 -10.232 1.00 0.00 C ATOM 893 C GLY A 60 10.128 -5.529 -11.221 1.00 0.00 C ATOM 894 O GLY A 60 10.331 -5.455 -12.432 1.00 0.00 O ATOM 0 H GLY A 60 11.667 -3.381 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.726 -5.904 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.673 -4.583 -9.381 1.00 0.00 H new ATOM 898 N ALA A 61 9.008 -6.024 -10.704 1.00 0.00 N ATOM 899 CA ALA A 61 7.930 -6.519 -11.550 1.00 0.00 C ATOM 900 C ALA A 61 6.856 -5.455 -11.748 1.00 0.00 C ATOM 901 O ALA A 61 6.298 -5.318 -12.837 1.00 0.00 O ATOM 902 CB ALA A 61 7.323 -7.779 -10.949 1.00 0.00 C ATOM 0 H ALA A 61 8.824 -6.093 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 61 8.349 -6.761 -12.526 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.519 -8.138 -11.592 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.091 -8.548 -10.865 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.924 -7.555 -9.960 1.00 0.00 H new ATOM 908 N ALA A 62 6.570 -4.705 -10.689 1.00 0.00 N ATOM 909 CA ALA A 62 5.563 -3.652 -10.748 1.00 0.00 C ATOM 910 C ALA A 62 6.002 -2.524 -11.676 1.00 0.00 C ATOM 911 O ALA A 62 5.270 -2.135 -12.585 1.00 0.00 O ATOM 912 CB ALA A 62 5.281 -3.113 -9.354 1.00 0.00 C ATOM 0 H ALA A 62 7.021 -4.807 -9.780 1.00 0.00 H new ATOM 0 HA ALA A 62 4.646 -4.082 -11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.527 -2.328 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.915 -3.920 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.198 -2.705 -8.929 1.00 0.00 H new ATOM 918 N ALA A 63 7.201 -2.002 -11.439 1.00 0.00 N ATOM 919 CA ALA A 63 7.737 -0.920 -12.254 1.00 0.00 C ATOM 920 C ALA A 63 7.882 -1.349 -13.710 1.00 0.00 C ATOM 921 O ALA A 63 7.808 -0.524 -14.620 1.00 0.00 O ATOM 922 CB ALA A 63 9.078 -0.458 -11.702 1.00 0.00 C ATOM 0 H ALA A 63 7.819 -2.311 -10.689 1.00 0.00 H new ATOM 0 HA ALA A 63 7.034 -0.088 -12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.467 0.351 -12.321 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.948 -0.103 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.781 -1.291 -11.710 1.00 0.00 H new ATOM 928 N SER A 64 8.090 -2.644 -13.922 1.00 0.00 N ATOM 929 CA SER A 64 8.250 -3.182 -15.268 1.00 0.00 C ATOM 930 C SER A 64 6.893 -3.463 -15.906 1.00 0.00 C ATOM 931 O SER A 64 6.813 -3.924 -17.045 1.00 0.00 O ATOM 932 CB SER A 64 9.085 -4.464 -15.233 1.00 0.00 C ATOM 933 OG SER A 64 10.358 -4.259 -15.820 1.00 0.00 O ATOM 0 H SER A 64 8.152 -3.340 -13.179 1.00 0.00 H new ATOM 0 HA SER A 64 8.768 -2.436 -15.871 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.206 -4.795 -14.202 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.560 -5.258 -15.763 1.00 0.00 H new ATOM 0 HG SER A 64 10.873 -5.092 -15.784 1.00 0.00 H new ATOM 939 N ASP A 65 5.828 -3.182 -15.163 1.00 0.00 N ATOM 940 CA ASP A 65 4.473 -3.403 -15.654 1.00 0.00 C ATOM 941 C ASP A 65 3.783 -2.078 -15.961 1.00 0.00 C ATOM 942 O ASP A 65 3.539 -1.271 -15.065 1.00 0.00 O ATOM 943 CB ASP A 65 3.657 -4.191 -14.628 1.00 0.00 C ATOM 944 CG ASP A 65 2.555 -5.010 -15.270 1.00 0.00 C ATOM 945 OD1 ASP A 65 1.670 -4.411 -15.916 1.00 0.00 O ATOM 946 OD2 ASP A 65 2.578 -6.250 -15.127 1.00 0.00 O ATOM 0 H ASP A 65 5.877 -2.801 -14.218 1.00 0.00 H new ATOM 0 HA ASP A 65 4.538 -3.981 -16.576 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.320 -4.853 -14.072 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.219 -3.500 -13.908 1.00 0.00 H new ATOM 951 N GLY A 66 3.472 -1.859 -17.235 1.00 0.00 N ATOM 952 CA GLY A 66 2.814 -0.629 -17.638 1.00 0.00 C ATOM 953 C GLY A 66 1.331 -0.636 -17.325 1.00 0.00 C ATOM 954 O GLY A 66 0.514 -0.233 -18.153 1.00 0.00 O ATOM 0 H GLY A 66 3.664 -2.511 -17.995 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.285 0.214 -17.132 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.956 -0.478 -18.708 1.00 0.00 H new ATOM 958 N ILE A 67 0.983 -1.094 -16.128 1.00 0.00 N ATOM 959 CA ILE A 67 -0.412 -1.151 -15.708 1.00 0.00 C ATOM 960 C ILE A 67 -0.585 -0.599 -14.298 1.00 0.00 C ATOM 961 O ILE A 67 -1.552 0.108 -14.010 1.00 0.00 O ATOM 962 CB ILE A 67 -0.955 -2.592 -15.753 1.00 0.00 C ATOM 963 CG1 ILE A 67 -0.711 -3.209 -17.132 1.00 0.00 C ATOM 964 CG2 ILE A 67 -2.438 -2.610 -15.414 1.00 0.00 C ATOM 965 CD1 ILE A 67 -1.586 -2.625 -18.219 1.00 0.00 C ATOM 0 H ILE A 67 1.647 -1.431 -15.431 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.977 -0.536 -16.408 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.425 -3.188 -15.010 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.335 -3.068 -17.404 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.884 -4.284 -17.076 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.807 -3.635 -15.450 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.587 -2.205 -14.413 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.984 -2.002 -16.136 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.359 -3.109 -19.169 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.634 -2.789 -17.970 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.396 -1.555 -18.303 1.00 0.00 H new ATOM 977 N LEU A 68 0.359 -0.924 -13.421 1.00 0.00 N ATOM 978 CA LEU A 68 0.313 -0.459 -12.039 1.00 0.00 C ATOM 979 C LEU A 68 1.074 0.854 -11.881 1.00 0.00 C ATOM 980 O LEU A 68 2.232 0.962 -12.282 1.00 0.00 O ATOM 981 CB LEU A 68 0.899 -1.517 -11.104 1.00 0.00 C ATOM 982 CG LEU A 68 0.200 -2.878 -11.108 1.00 0.00 C ATOM 983 CD1 LEU A 68 0.854 -3.817 -10.107 1.00 0.00 C ATOM 984 CD2 LEU A 68 -1.282 -2.716 -10.801 1.00 0.00 C ATOM 0 H LEU A 68 1.166 -1.508 -13.643 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.730 -0.287 -11.774 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.946 -1.668 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.881 -1.125 -10.087 1.00 0.00 H new ATOM 0 HG LEU A 68 0.300 -3.314 -12.102 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.343 -4.780 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.902 -3.957 -10.371 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.786 -3.388 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.764 -3.694 -10.808 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.402 -2.259 -9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.743 -2.079 -11.556 1.00 0.00 H new ATOM 996 N GLN A 69 0.416 1.847 -11.292 1.00 0.00 N ATOM 997 CA GLN A 69 1.032 3.151 -11.079 1.00 0.00 C ATOM 998 C GLN A 69 1.238 3.420 -9.592 1.00 0.00 C ATOM 999 O GLN A 69 0.494 2.933 -8.739 1.00 0.00 O ATOM 1000 CB GLN A 69 0.167 4.253 -11.693 1.00 0.00 C ATOM 1001 CG GLN A 69 -1.110 4.528 -10.917 1.00 0.00 C ATOM 1002 CD GLN A 69 -1.301 6.001 -10.611 1.00 0.00 C ATOM 1003 OE1 GLN A 69 -0.333 6.751 -10.483 1.00 0.00 O ATOM 1004 NE2 GLN A 69 -2.555 6.423 -10.492 1.00 0.00 N ATOM 0 H GLN A 69 -0.543 1.773 -10.954 1.00 0.00 H new ATOM 0 HA GLN A 69 2.006 3.148 -11.567 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.751 5.171 -11.752 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.092 3.974 -12.714 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.964 4.166 -11.490 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.091 3.966 -9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.327 5.766 -10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.746 7.404 -10.287 1.00 0.00 H new ATOM 1013 N PRO A 70 2.271 4.212 -9.271 1.00 0.00 N ATOM 1014 CA PRO A 70 2.599 4.564 -7.886 1.00 0.00 C ATOM 1015 C PRO A 70 1.564 5.495 -7.264 1.00 0.00 C ATOM 1016 O PRO A 70 1.743 6.712 -7.244 1.00 0.00 O ATOM 1017 CB PRO A 70 3.950 5.271 -8.010 1.00 0.00 C ATOM 1018 CG PRO A 70 3.970 5.810 -9.399 1.00 0.00 C ATOM 1019 CD PRO A 70 3.199 4.827 -10.235 1.00 0.00 C ATOM 0 HA PRO A 70 2.619 3.689 -7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.048 6.069 -7.274 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.776 4.579 -7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.514 6.799 -9.440 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.992 5.914 -9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.665 5.322 -11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.855 4.085 -10.690 1.00 0.00 H new ATOM 1027 N GLY A 71 0.481 4.915 -6.756 1.00 0.00 N ATOM 1028 CA GLY A 71 -0.566 5.709 -6.140 1.00 0.00 C ATOM 1029 C GLY A 71 -1.917 5.023 -6.186 1.00 0.00 C ATOM 1030 O GLY A 71 -2.947 5.677 -6.348 1.00 0.00 O ATOM 0 H GLY A 71 0.310 3.909 -6.760 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.301 5.913 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.633 6.672 -6.647 1.00 0.00 H new ATOM 1034 N ASP A 72 -1.913 3.702 -6.046 1.00 0.00 N ATOM 1035 CA ASP A 72 -3.148 2.927 -6.074 1.00 0.00 C ATOM 1036 C ASP A 72 -3.516 2.440 -4.675 1.00 0.00 C ATOM 1037 O ASP A 72 -2.973 2.917 -3.678 1.00 0.00 O ATOM 1038 CB ASP A 72 -3.006 1.735 -7.021 1.00 0.00 C ATOM 1039 CG ASP A 72 -2.070 0.673 -6.478 1.00 0.00 C ATOM 1040 OD1 ASP A 72 -1.542 0.861 -5.362 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -1.866 -0.347 -7.169 1.00 0.00 O ATOM 0 H ASP A 72 -1.069 3.146 -5.912 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.946 3.575 -6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.988 1.295 -7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.636 2.083 -7.985 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.442 1.489 -4.609 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.882 0.938 -3.334 1.00 0.00 C ATOM 1048 C VAL A 73 -5.019 -0.579 -3.408 1.00 0.00 C ATOM 1049 O VAL A 73 -6.098 -1.103 -3.688 1.00 0.00 O ATOM 1050 CB VAL A 73 -6.230 1.543 -2.896 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -6.886 0.673 -1.834 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -6.035 2.963 -2.388 1.00 0.00 C ATOM 0 H VAL A 73 -4.902 1.084 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.120 1.196 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.892 1.578 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.837 1.116 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.061 -0.324 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.231 0.603 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.997 3.376 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.357 2.954 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.612 3.578 -3.182 1.00 0.00 H new ATOM 1062 N LEU A 74 -3.919 -1.279 -3.155 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.915 -2.737 -3.193 1.00 0.00 C ATOM 1064 C LEU A 74 -5.053 -3.307 -2.352 1.00 0.00 C ATOM 1065 O LEU A 74 -5.328 -2.823 -1.254 1.00 0.00 O ATOM 1066 CB LEU A 74 -2.574 -3.276 -2.690 1.00 0.00 C ATOM 1067 CG LEU A 74 -1.324 -2.654 -3.313 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -0.075 -3.120 -2.582 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -1.238 -2.998 -4.793 1.00 0.00 C ATOM 0 H LEU A 74 -3.019 -0.861 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.061 -3.049 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.528 -3.130 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.548 -4.351 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.394 -1.571 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.805 -2.667 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.134 -2.822 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.001 -4.205 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.342 -2.547 -5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.192 -4.080 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.118 -2.613 -5.308 1.00 0.00 H new ATOM 1081 N ILE A 75 -5.708 -4.338 -2.873 1.00 0.00 N ATOM 1082 CA ILE A 75 -6.814 -4.975 -2.169 1.00 0.00 C ATOM 1083 C ILE A 75 -6.713 -6.495 -2.248 1.00 0.00 C ATOM 1084 O ILE A 75 -7.698 -7.204 -2.042 1.00 0.00 O ATOM 1085 CB ILE A 75 -8.174 -4.532 -2.738 1.00 0.00 C ATOM 1086 CG1 ILE A 75 -8.177 -3.024 -2.994 1.00 0.00 C ATOM 1087 CG2 ILE A 75 -9.297 -4.915 -1.786 1.00 0.00 C ATOM 1088 CD1 ILE A 75 -8.140 -2.660 -4.462 1.00 0.00 C ATOM 0 H ILE A 75 -5.492 -4.751 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.747 -4.662 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.338 -5.043 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.069 -2.589 -2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.317 -2.577 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.252 -4.595 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.305 -5.996 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.140 -4.428 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.144 -1.575 -4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.235 -3.065 -4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.014 -3.077 -4.962 1.00 0.00 H new ATOM 1100 N SER A 76 -5.515 -6.988 -2.547 1.00 0.00 N ATOM 1101 CA SER A 76 -5.286 -8.424 -2.655 1.00 0.00 C ATOM 1102 C SER A 76 -4.020 -8.713 -3.456 1.00 0.00 C ATOM 1103 O SER A 76 -4.084 -9.115 -4.617 1.00 0.00 O ATOM 1104 CB SER A 76 -6.486 -9.106 -3.314 1.00 0.00 C ATOM 1105 OG SER A 76 -7.080 -8.264 -4.288 1.00 0.00 O ATOM 0 H SER A 76 -4.689 -6.415 -2.719 1.00 0.00 H new ATOM 0 HA SER A 76 -5.158 -8.823 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.168 -10.038 -3.780 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.223 -9.365 -2.554 1.00 0.00 H new ATOM 0 HG SER A 76 -7.794 -7.737 -3.873 1.00 0.00 H new ATOM 1111 N VAL A 77 -2.868 -8.505 -2.825 1.00 0.00 N ATOM 1112 CA VAL A 77 -1.586 -8.743 -3.477 1.00 0.00 C ATOM 1113 C VAL A 77 -1.097 -10.165 -3.225 1.00 0.00 C ATOM 1114 O VAL A 77 -0.436 -10.438 -2.224 1.00 0.00 O ATOM 1115 CB VAL A 77 -0.514 -7.750 -2.988 1.00 0.00 C ATOM 1116 CG1 VAL A 77 0.825 -8.043 -3.646 1.00 0.00 C ATOM 1117 CG2 VAL A 77 -0.951 -6.319 -3.261 1.00 0.00 C ATOM 0 H VAL A 77 -2.797 -8.172 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.744 -8.599 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.395 -7.870 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.569 -7.332 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.140 -9.056 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.726 -7.952 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.183 -5.631 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.099 -6.182 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.885 -6.118 -2.737 1.00 0.00 H new ATOM 1127 N GLY A 78 -1.428 -11.069 -4.142 1.00 0.00 N ATOM 1128 CA GLY A 78 -1.014 -12.453 -4.002 1.00 0.00 C ATOM 1129 C GLY A 78 -2.016 -13.282 -3.223 1.00 0.00 C ATOM 1130 O GLY A 78 -1.650 -13.998 -2.290 1.00 0.00 O ATOM 0 H GLY A 78 -1.975 -10.868 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.877 -12.890 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.047 -12.491 -3.500 1.00 0.00 H new ATOM 1134 N HIS A 79 -3.286 -13.184 -3.604 1.00 0.00 N ATOM 1135 CA HIS A 79 -4.345 -13.930 -2.934 1.00 0.00 C ATOM 1136 C HIS A 79 -4.354 -13.634 -1.437 1.00 0.00 C ATOM 1137 O HIS A 79 -4.975 -14.354 -0.656 1.00 0.00 O ATOM 1138 CB HIS A 79 -4.168 -15.431 -3.168 1.00 0.00 C ATOM 1139 CG HIS A 79 -5.423 -16.122 -3.602 1.00 0.00 C ATOM 1140 ND1 HIS A 79 -5.953 -17.208 -2.938 1.00 0.00 N ATOM 1141 CD2 HIS A 79 -6.256 -15.874 -4.640 1.00 0.00 C ATOM 1142 CE1 HIS A 79 -7.057 -17.600 -3.550 1.00 0.00 C ATOM 1143 NE2 HIS A 79 -7.263 -16.807 -4.586 1.00 0.00 N ATOM 0 H HIS A 79 -3.606 -12.595 -4.373 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.300 -13.615 -3.355 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.399 -15.584 -3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.808 -15.893 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.149 -15.089 -5.374 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.684 -18.428 -3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.043 -16.876 -5.240 1.00 0.00 H new ATOM 1152 N ALA A 80 -3.660 -12.571 -1.045 1.00 0.00 N ATOM 1153 CA ALA A 80 -3.590 -12.180 0.357 1.00 0.00 C ATOM 1154 C ALA A 80 -4.219 -10.808 0.577 1.00 0.00 C ATOM 1155 O ALA A 80 -3.561 -9.781 0.422 1.00 0.00 O ATOM 1156 CB ALA A 80 -2.145 -12.181 0.834 1.00 0.00 C ATOM 0 H ALA A 80 -3.138 -11.965 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.155 -12.908 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.108 -11.887 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.726 -13.181 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.565 -11.476 0.239 1.00 0.00 H new ATOM 1162 N ASN A 81 -5.498 -10.800 0.939 1.00 0.00 N ATOM 1163 CA ASN A 81 -6.217 -9.554 1.178 1.00 0.00 C ATOM 1164 C ASN A 81 -5.365 -8.582 1.989 1.00 0.00 C ATOM 1165 O ASN A 81 -5.273 -8.691 3.212 1.00 0.00 O ATOM 1166 CB ASN A 81 -7.531 -9.832 1.911 1.00 0.00 C ATOM 1167 CG ASN A 81 -8.216 -8.560 2.373 1.00 0.00 C ATOM 1168 OD1 ASN A 81 -7.966 -8.073 3.476 1.00 0.00 O ATOM 1169 ND2 ASN A 81 -9.084 -8.016 1.529 1.00 0.00 N ATOM 0 H ASN A 81 -6.058 -11.642 1.073 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.437 -9.099 0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.202 -10.384 1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.335 -10.470 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.575 -7.159 1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -9.260 -8.455 0.625 1.00 0.00 H new ATOM 1176 N VAL A 82 -4.744 -7.631 1.299 1.00 0.00 N ATOM 1177 CA VAL A 82 -3.901 -6.638 1.954 1.00 0.00 C ATOM 1178 C VAL A 82 -4.613 -5.294 2.056 1.00 0.00 C ATOM 1179 O VAL A 82 -3.974 -4.244 2.134 1.00 0.00 O ATOM 1180 CB VAL A 82 -2.572 -6.446 1.200 1.00 0.00 C ATOM 1181 CG1 VAL A 82 -1.784 -7.746 1.167 1.00 0.00 C ATOM 1182 CG2 VAL A 82 -2.827 -5.931 -0.208 1.00 0.00 C ATOM 0 H VAL A 82 -4.809 -7.527 0.286 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.691 -7.012 2.956 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.978 -5.703 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.848 -7.591 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.569 -8.067 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.369 -8.514 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.877 -5.801 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.442 -6.648 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.346 -4.974 -0.157 1.00 0.00 H new ATOM 1192 N LEU A 83 -5.941 -5.332 2.055 1.00 0.00 N ATOM 1193 CA LEU A 83 -6.742 -4.117 2.148 1.00 0.00 C ATOM 1194 C LEU A 83 -6.264 -3.236 3.298 1.00 0.00 C ATOM 1195 O LEU A 83 -5.888 -2.083 3.096 1.00 0.00 O ATOM 1196 CB LEU A 83 -8.219 -4.469 2.340 1.00 0.00 C ATOM 1197 CG LEU A 83 -9.203 -3.767 1.404 1.00 0.00 C ATOM 1198 CD1 LEU A 83 -10.496 -4.561 1.297 1.00 0.00 C ATOM 1199 CD2 LEU A 83 -9.483 -2.352 1.888 1.00 0.00 C ATOM 0 H LEU A 83 -6.486 -6.192 1.991 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.625 -3.562 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.335 -5.546 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.497 -4.236 3.368 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.753 -3.708 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.185 -4.046 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.281 -5.555 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.950 -4.652 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.185 -1.868 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.912 -2.388 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.552 -1.785 1.912 1.00 0.00 H new ATOM 1211 N GLY A 84 -6.280 -3.790 4.507 1.00 0.00 N ATOM 1212 CA GLY A 84 -5.843 -3.042 5.672 1.00 0.00 C ATOM 1213 C GLY A 84 -4.451 -3.435 6.125 1.00 0.00 C ATOM 1214 O GLY A 84 -4.025 -3.080 7.224 1.00 0.00 O ATOM 0 H GLY A 84 -6.588 -4.743 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.860 -1.976 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.547 -3.204 6.489 1.00 0.00 H new ATOM 1218 N TYR A 85 -3.741 -4.172 5.278 1.00 0.00 N ATOM 1219 CA TYR A 85 -2.390 -4.617 5.599 1.00 0.00 C ATOM 1220 C TYR A 85 -1.464 -3.427 5.827 1.00 0.00 C ATOM 1221 O TYR A 85 -1.462 -2.468 5.054 1.00 0.00 O ATOM 1222 CB TYR A 85 -1.841 -5.498 4.476 1.00 0.00 C ATOM 1223 CG TYR A 85 -1.620 -6.936 4.888 1.00 0.00 C ATOM 1224 CD1 TYR A 85 -2.558 -7.610 5.659 1.00 0.00 C ATOM 1225 CD2 TYR A 85 -0.473 -7.621 4.506 1.00 0.00 C ATOM 1226 CE1 TYR A 85 -2.361 -8.924 6.038 1.00 0.00 C ATOM 1227 CE2 TYR A 85 -0.268 -8.935 4.879 1.00 0.00 C ATOM 1228 CZ TYR A 85 -1.214 -9.582 5.645 1.00 0.00 C ATOM 1229 OH TYR A 85 -1.013 -10.891 6.020 1.00 0.00 O ATOM 0 H TYR A 85 -4.078 -4.474 4.364 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.435 -5.199 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.533 -5.472 3.634 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.897 -5.080 4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.457 -7.098 5.968 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.271 -7.117 3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.101 -9.433 6.638 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.629 -9.453 4.572 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.158 -11.207 5.661 1.00 0.00 H new ATOM 1239 N THR A 86 -0.674 -3.495 6.895 1.00 0.00 N ATOM 1240 CA THR A 86 0.257 -2.424 7.226 1.00 0.00 C ATOM 1241 C THR A 86 1.524 -2.517 6.383 1.00 0.00 C ATOM 1242 O THR A 86 1.747 -3.507 5.686 1.00 0.00 O ATOM 1243 CB THR A 86 0.643 -2.457 8.717 1.00 0.00 C ATOM 1244 OG1 THR A 86 1.670 -3.430 8.936 1.00 0.00 O ATOM 1245 CG2 THR A 86 -0.566 -2.784 9.582 1.00 0.00 C ATOM 0 H THR A 86 -0.661 -4.281 7.545 1.00 0.00 H new ATOM 0 HA THR A 86 -0.252 -1.485 7.010 1.00 0.00 H new ATOM 0 HB THR A 86 1.013 -1.470 8.996 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.911 -3.443 9.886 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.269 -2.802 10.631 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.334 -2.025 9.435 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.962 -3.760 9.300 1.00 0.00 H new ATOM 1253 N LEU A 87 2.352 -1.480 6.452 1.00 0.00 N ATOM 1254 CA LEU A 87 3.598 -1.445 5.695 1.00 0.00 C ATOM 1255 C LEU A 87 4.519 -2.589 6.109 1.00 0.00 C ATOM 1256 O LEU A 87 5.088 -3.278 5.262 1.00 0.00 O ATOM 1257 CB LEU A 87 4.306 -0.105 5.903 1.00 0.00 C ATOM 1258 CG LEU A 87 5.258 0.330 4.788 1.00 0.00 C ATOM 1259 CD1 LEU A 87 4.627 0.097 3.425 1.00 0.00 C ATOM 1260 CD2 LEU A 87 5.643 1.793 4.957 1.00 0.00 C ATOM 0 H LEU A 87 2.183 -0.653 7.024 1.00 0.00 H new ATOM 0 HA LEU A 87 3.356 -1.562 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.548 0.668 6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.869 -0.155 6.835 1.00 0.00 H new ATOM 0 HG LEU A 87 6.163 -0.274 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.320 0.413 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.403 -0.963 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.705 0.674 3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.321 2.086 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.747 2.412 4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.138 1.930 5.918 1.00 0.00 H new ATOM 1272 N ARG A 88 4.660 -2.785 7.416 1.00 0.00 N ATOM 1273 CA ARG A 88 5.511 -3.846 7.942 1.00 0.00 C ATOM 1274 C ARG A 88 4.980 -5.218 7.538 1.00 0.00 C ATOM 1275 O ARG A 88 5.664 -5.982 6.856 1.00 0.00 O ATOM 1276 CB ARG A 88 5.599 -3.749 9.466 1.00 0.00 C ATOM 1277 CG ARG A 88 6.411 -2.562 9.955 1.00 0.00 C ATOM 1278 CD ARG A 88 5.626 -1.264 9.840 1.00 0.00 C ATOM 1279 NE ARG A 88 6.239 -0.183 10.607 1.00 0.00 N ATOM 1280 CZ ARG A 88 5.682 1.012 10.768 1.00 0.00 C ATOM 1281 NH1 ARG A 88 4.505 1.278 10.217 1.00 0.00 N ATOM 1282 NH2 ARG A 88 6.302 1.944 11.480 1.00 0.00 N ATOM 0 H ARG A 88 4.196 -2.223 8.130 1.00 0.00 H new ATOM 0 HA ARG A 88 6.508 -3.722 7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.591 -3.683 9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.042 -4.666 9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.702 -2.722 10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.330 -2.485 9.375 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.560 -0.972 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.607 -1.425 10.191 1.00 0.00 H new ATOM 0 HE ARG A 88 7.145 -0.355 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.026 0.564 9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.079 2.196 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.207 1.743 11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.873 2.861 11.603 1.00 0.00 H new ATOM 1296 N GLU A 89 3.759 -5.525 7.965 1.00 0.00 N ATOM 1297 CA GLU A 89 3.139 -6.806 7.648 1.00 0.00 C ATOM 1298 C GLU A 89 3.134 -7.051 6.142 1.00 0.00 C ATOM 1299 O GLU A 89 3.133 -8.195 5.688 1.00 0.00 O ATOM 1300 CB GLU A 89 1.708 -6.852 8.188 1.00 0.00 C ATOM 1301 CG GLU A 89 1.621 -6.688 9.696 1.00 0.00 C ATOM 1302 CD GLU A 89 1.815 -7.996 10.438 1.00 0.00 C ATOM 1303 OE1 GLU A 89 2.977 -8.337 10.744 1.00 0.00 O ATOM 1304 OE2 GLU A 89 0.806 -8.678 10.712 1.00 0.00 O ATOM 0 H GLU A 89 3.180 -4.904 8.531 1.00 0.00 H new ATOM 0 HA GLU A 89 3.725 -7.592 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.123 -6.065 7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.253 -7.802 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.376 -5.973 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.650 -6.268 9.956 1.00 0.00 H new ATOM 1311 N PHE A 90 3.130 -5.967 5.372 1.00 0.00 N ATOM 1312 CA PHE A 90 3.124 -6.063 3.917 1.00 0.00 C ATOM 1313 C PHE A 90 4.488 -6.504 3.395 1.00 0.00 C ATOM 1314 O PHE A 90 4.604 -7.522 2.711 1.00 0.00 O ATOM 1315 CB PHE A 90 2.739 -4.718 3.298 1.00 0.00 C ATOM 1316 CG PHE A 90 2.643 -4.753 1.800 1.00 0.00 C ATOM 1317 CD1 PHE A 90 1.557 -5.345 1.176 1.00 0.00 C ATOM 1318 CD2 PHE A 90 3.638 -4.193 1.015 1.00 0.00 C ATOM 1319 CE1 PHE A 90 1.466 -5.380 -0.203 1.00 0.00 C ATOM 1320 CE2 PHE A 90 3.553 -4.225 -0.364 1.00 0.00 C ATOM 1321 CZ PHE A 90 2.465 -4.818 -0.974 1.00 0.00 C ATOM 0 H PHE A 90 3.131 -5.013 5.732 1.00 0.00 H new ATOM 0 HA PHE A 90 2.386 -6.812 3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.781 -4.399 3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.475 -3.969 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.772 -5.784 1.774 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.490 -3.726 1.486 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.615 -5.846 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.337 -3.787 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.395 -4.842 -2.051 1.00 0.00 H new ATOM 1331 N LEU A 91 5.518 -5.732 3.723 1.00 0.00 N ATOM 1332 CA LEU A 91 6.875 -6.042 3.287 1.00 0.00 C ATOM 1333 C LEU A 91 7.274 -7.452 3.709 1.00 0.00 C ATOM 1334 O LEU A 91 8.029 -8.131 3.012 1.00 0.00 O ATOM 1335 CB LEU A 91 7.862 -5.026 3.866 1.00 0.00 C ATOM 1336 CG LEU A 91 8.179 -3.820 2.982 1.00 0.00 C ATOM 1337 CD1 LEU A 91 8.881 -4.262 1.707 1.00 0.00 C ATOM 1338 CD2 LEU A 91 6.908 -3.050 2.654 1.00 0.00 C ATOM 0 H LEU A 91 5.439 -4.887 4.289 1.00 0.00 H new ATOM 0 HA LEU A 91 6.902 -5.987 2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.464 -4.662 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.795 -5.543 4.090 1.00 0.00 H new ATOM 0 HG LEU A 91 8.849 -3.158 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.099 -3.390 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.812 -4.768 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.236 -4.945 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.153 -2.195 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.213 -3.703 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.446 -2.700 3.577 1.00 0.00 H new ATOM 1350 N LYS A 92 6.761 -7.889 4.854 1.00 0.00 N ATOM 1351 CA LYS A 92 7.060 -9.220 5.368 1.00 0.00 C ATOM 1352 C LYS A 92 6.287 -10.287 4.598 1.00 0.00 C ATOM 1353 O LYS A 92 6.744 -11.423 4.463 1.00 0.00 O ATOM 1354 CB LYS A 92 6.717 -9.303 6.858 1.00 0.00 C ATOM 1355 CG LYS A 92 5.347 -9.896 7.135 1.00 0.00 C ATOM 1356 CD LYS A 92 5.420 -11.401 7.329 1.00 0.00 C ATOM 1357 CE LYS A 92 4.088 -11.968 7.798 1.00 0.00 C ATOM 1358 NZ LYS A 92 2.938 -11.339 7.091 1.00 0.00 N ATOM 0 H LYS A 92 6.136 -7.340 5.444 1.00 0.00 H new ATOM 0 HA LYS A 92 8.127 -9.402 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.473 -9.904 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.765 -8.303 7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.923 -9.433 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.676 -9.667 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.709 -11.876 6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.195 -11.638 8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.072 -13.045 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.984 -11.811 8.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.076 -11.893 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.804 -10.369 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.129 -11.316 6.069 1.00 0.00 H new ATOM 1372 N LEU A 93 5.115 -9.915 4.095 1.00 0.00 N ATOM 1373 CA LEU A 93 4.280 -10.839 3.337 1.00 0.00 C ATOM 1374 C LEU A 93 4.899 -11.143 1.977 1.00 0.00 C ATOM 1375 O LEU A 93 5.234 -12.289 1.677 1.00 0.00 O ATOM 1376 CB LEU A 93 2.877 -10.257 3.154 1.00 0.00 C ATOM 1377 CG LEU A 93 2.009 -10.923 2.086 1.00 0.00 C ATOM 1378 CD1 LEU A 93 1.092 -11.961 2.714 1.00 0.00 C ATOM 1379 CD2 LEU A 93 1.197 -9.879 1.332 1.00 0.00 C ATOM 0 H LEU A 93 4.722 -8.980 4.199 1.00 0.00 H new ATOM 0 HA LEU A 93 4.210 -11.770 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.353 -10.316 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.973 -9.199 2.908 1.00 0.00 H new ATOM 0 HG LEU A 93 2.664 -11.428 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.482 -12.424 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.692 -12.725 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.444 -11.479 3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.585 -10.371 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.552 -9.346 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.872 -9.172 0.849 1.00 0.00 H new ATOM 1391 N LEU A 94 5.050 -10.108 1.158 1.00 0.00 N ATOM 1392 CA LEU A 94 5.632 -10.263 -0.171 1.00 0.00 C ATOM 1393 C LEU A 94 7.000 -10.931 -0.092 1.00 0.00 C ATOM 1394 O LEU A 94 7.509 -11.443 -1.089 1.00 0.00 O ATOM 1395 CB LEU A 94 5.755 -8.901 -0.857 1.00 0.00 C ATOM 1396 CG LEU A 94 4.508 -8.017 -0.824 1.00 0.00 C ATOM 1397 CD1 LEU A 94 4.710 -6.776 -1.679 1.00 0.00 C ATOM 1398 CD2 LEU A 94 3.289 -8.797 -1.294 1.00 0.00 C ATOM 0 H LEU A 94 4.778 -9.153 1.390 1.00 0.00 H new ATOM 0 HA LEU A 94 4.971 -10.900 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.575 -8.355 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.032 -9.065 -1.898 1.00 0.00 H new ATOM 0 HG LEU A 94 4.338 -7.700 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.812 -6.159 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.557 -6.206 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.906 -7.072 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.411 -8.152 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.450 -9.143 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.132 -9.655 -0.640 1.00 0.00 H new ATOM 1410 N GLN A 95 7.589 -10.923 1.099 1.00 0.00 N ATOM 1411 CA GLN A 95 8.898 -11.530 1.308 1.00 0.00 C ATOM 1412 C GLN A 95 8.801 -13.052 1.298 1.00 0.00 C ATOM 1413 O GLN A 95 9.810 -13.749 1.396 1.00 0.00 O ATOM 1414 CB GLN A 95 9.499 -11.055 2.632 1.00 0.00 C ATOM 1415 CG GLN A 95 10.481 -9.905 2.477 1.00 0.00 C ATOM 1416 CD GLN A 95 11.855 -10.233 3.028 1.00 0.00 C ATOM 1417 OE1 GLN A 95 12.690 -10.818 2.338 1.00 0.00 O ATOM 1418 NE2 GLN A 95 12.097 -9.856 4.278 1.00 0.00 N ATOM 0 H GLN A 95 7.181 -10.503 1.934 1.00 0.00 H new ATOM 0 HA GLN A 95 9.548 -11.220 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.693 -10.746 3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.006 -11.892 3.112 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.569 -9.647 1.422 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.089 -9.026 2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.376 -9.373 4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.004 -10.049 4.702 1.00 0.00 H new ATOM 1427 N ASN A 96 7.579 -13.561 1.179 1.00 0.00 N ATOM 1428 CA ASN A 96 7.349 -15.001 1.156 1.00 0.00 C ATOM 1429 C ASN A 96 7.076 -15.486 -0.264 1.00 0.00 C ATOM 1430 O ASN A 96 6.816 -16.669 -0.487 1.00 0.00 O ATOM 1431 CB ASN A 96 6.174 -15.365 2.066 1.00 0.00 C ATOM 1432 CG ASN A 96 6.570 -15.415 3.529 1.00 0.00 C ATOM 1433 OD1 ASN A 96 7.056 -16.435 4.018 1.00 0.00 O ATOM 1434 ND2 ASN A 96 6.363 -14.310 4.236 1.00 0.00 N ATOM 0 H ASN A 96 6.733 -12.998 1.097 1.00 0.00 H new ATOM 0 HA ASN A 96 8.250 -15.494 1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.375 -14.635 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.773 -16.334 1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.609 -14.284 5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.958 -13.487 3.790 1.00 0.00 H new ATOM 1441 N ILE A 97 7.139 -14.566 -1.220 1.00 0.00 N ATOM 1442 CA ILE A 97 6.901 -14.900 -2.619 1.00 0.00 C ATOM 1443 C ILE A 97 8.147 -15.499 -3.261 1.00 0.00 C ATOM 1444 O ILE A 97 9.273 -15.164 -2.890 1.00 0.00 O ATOM 1445 CB ILE A 97 6.464 -13.664 -3.427 1.00 0.00 C ATOM 1446 CG1 ILE A 97 5.391 -12.883 -2.665 1.00 0.00 C ATOM 1447 CG2 ILE A 97 5.950 -14.081 -4.797 1.00 0.00 C ATOM 1448 CD1 ILE A 97 4.041 -13.564 -2.653 1.00 0.00 C ATOM 0 H ILE A 97 7.353 -13.583 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 97 6.098 -15.636 -2.635 1.00 0.00 H new ATOM 0 HB ILE A 97 7.329 -13.015 -3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.723 -12.734 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.286 -11.895 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.645 -13.196 -5.356 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.741 -14.599 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.096 -14.747 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.331 -12.954 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.687 -13.689 -3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.131 -14.541 -2.178 1.00 0.00 H new ATOM 1460 N THR A 98 7.940 -16.387 -4.229 1.00 0.00 N ATOM 1461 CA THR A 98 9.046 -17.032 -4.924 1.00 0.00 C ATOM 1462 C THR A 98 9.257 -16.424 -6.306 1.00 0.00 C ATOM 1463 O THR A 98 8.343 -15.830 -6.878 1.00 0.00 O ATOM 1464 CB THR A 98 8.810 -18.547 -5.073 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.777 -18.971 -4.176 1.00 0.00 O ATOM 1466 CG2 THR A 98 10.086 -19.324 -4.790 1.00 0.00 C ATOM 0 H THR A 98 7.015 -16.676 -4.549 1.00 0.00 H new ATOM 0 HA THR A 98 9.937 -16.869 -4.318 1.00 0.00 H new ATOM 0 HB THR A 98 8.504 -18.746 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.631 -19.935 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.894 -20.391 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.861 -19.019 -5.493 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.418 -19.119 -3.772 1.00 0.00 H new ATOM 1474 N ILE A 99 10.465 -16.577 -6.837 1.00 0.00 N ATOM 1475 CA ILE A 99 10.794 -16.044 -8.153 1.00 0.00 C ATOM 1476 C ILE A 99 9.960 -16.713 -9.241 1.00 0.00 C ATOM 1477 O ILE A 99 9.768 -17.928 -9.232 1.00 0.00 O ATOM 1478 CB ILE A 99 12.287 -16.231 -8.479 1.00 0.00 C ATOM 1479 CG1 ILE A 99 13.152 -15.493 -7.455 1.00 0.00 C ATOM 1480 CG2 ILE A 99 12.588 -15.739 -9.887 1.00 0.00 C ATOM 1481 CD1 ILE A 99 14.562 -16.030 -7.355 1.00 0.00 C ATOM 0 H ILE A 99 11.232 -17.066 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 99 10.567 -14.978 -8.128 1.00 0.00 H new ATOM 0 HB ILE A 99 12.524 -17.294 -8.428 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.192 -14.436 -7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.677 -15.558 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.647 -15.878 -10.102 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.995 -16.305 -10.605 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.338 -14.681 -9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.117 -15.459 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.532 -17.079 -7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 99 15.055 -15.940 -8.323 1.00 0.00 H new ATOM 1493 N GLY A 100 9.467 -15.909 -10.179 1.00 0.00 N ATOM 1494 CA GLY A 100 8.661 -16.441 -11.262 1.00 0.00 C ATOM 1495 C GLY A 100 7.297 -16.908 -10.794 1.00 0.00 C ATOM 1496 O GLY A 100 6.898 -18.044 -11.053 1.00 0.00 O ATOM 0 H GLY A 100 9.612 -14.900 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.536 -15.676 -12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.187 -17.275 -11.727 1.00 0.00 H new ATOM 1500 N THR A 101 6.578 -16.031 -10.100 1.00 0.00 N ATOM 1501 CA THR A 101 5.253 -16.360 -9.592 1.00 0.00 C ATOM 1502 C THR A 101 4.204 -15.388 -10.121 1.00 0.00 C ATOM 1503 O THR A 101 4.437 -14.180 -10.181 1.00 0.00 O ATOM 1504 CB THR A 101 5.221 -16.343 -8.052 1.00 0.00 C ATOM 1505 OG1 THR A 101 6.226 -17.222 -7.532 1.00 0.00 O ATOM 1506 CG2 THR A 101 3.854 -16.765 -7.535 1.00 0.00 C ATOM 0 H THR A 101 6.892 -15.087 -9.877 1.00 0.00 H new ATOM 0 HA THR A 101 5.022 -17.366 -9.942 1.00 0.00 H new ATOM 0 HB THR A 101 5.420 -15.325 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.078 -16.743 -7.468 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.855 -16.745 -6.445 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.095 -16.078 -7.909 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.631 -17.775 -7.879 1.00 0.00 H new ATOM 1514 N VAL A 102 3.049 -15.921 -10.503 1.00 0.00 N ATOM 1515 CA VAL A 102 1.963 -15.100 -11.026 1.00 0.00 C ATOM 1516 C VAL A 102 0.967 -14.742 -9.928 1.00 0.00 C ATOM 1517 O VAL A 102 0.336 -15.619 -9.337 1.00 0.00 O ATOM 1518 CB VAL A 102 1.216 -15.817 -12.167 1.00 0.00 C ATOM 1519 CG1 VAL A 102 1.004 -17.284 -11.828 1.00 0.00 C ATOM 1520 CG2 VAL A 102 -0.111 -15.128 -12.449 1.00 0.00 C ATOM 0 H VAL A 102 2.840 -16.919 -10.460 1.00 0.00 H new ATOM 0 HA VAL A 102 2.415 -14.188 -11.415 1.00 0.00 H new ATOM 0 HB VAL A 102 1.826 -15.763 -13.069 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.475 -17.774 -12.646 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.970 -17.767 -11.680 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.415 -17.365 -10.915 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.626 -15.647 -13.258 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.730 -15.149 -11.552 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.071 -14.093 -12.740 1.00 0.00 H new ATOM 1530 N LEU A 103 0.831 -13.448 -9.660 1.00 0.00 N ATOM 1531 CA LEU A 103 -0.088 -12.973 -8.632 1.00 0.00 C ATOM 1532 C LEU A 103 -1.017 -11.898 -9.188 1.00 0.00 C ATOM 1533 O LEU A 103 -0.647 -11.154 -10.096 1.00 0.00 O ATOM 1534 CB LEU A 103 0.691 -12.420 -7.438 1.00 0.00 C ATOM 1535 CG LEU A 103 1.779 -13.331 -6.867 1.00 0.00 C ATOM 1536 CD1 LEU A 103 1.286 -14.768 -6.790 1.00 0.00 C ATOM 1537 CD2 LEU A 103 3.044 -13.244 -7.709 1.00 0.00 C ATOM 0 H LEU A 103 1.345 -12.709 -10.140 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.693 -13.818 -8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.153 -11.478 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.017 -12.190 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 103 2.014 -12.994 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.073 -15.401 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.409 -14.818 -6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.022 -15.116 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.807 -13.899 -7.288 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.823 -13.554 -8.730 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.409 -12.217 -7.713 1.00 0.00 H new ATOM 1549 N GLN A 104 -2.224 -11.823 -8.636 1.00 0.00 N ATOM 1550 CA GLN A 104 -3.205 -10.838 -9.077 1.00 0.00 C ATOM 1551 C GLN A 104 -3.193 -9.614 -8.168 1.00 0.00 C ATOM 1552 O GLN A 104 -3.750 -9.638 -7.070 1.00 0.00 O ATOM 1553 CB GLN A 104 -4.604 -11.456 -9.101 1.00 0.00 C ATOM 1554 CG GLN A 104 -5.460 -10.980 -10.263 1.00 0.00 C ATOM 1555 CD GLN A 104 -6.926 -10.862 -9.899 1.00 0.00 C ATOM 1556 OE1 GLN A 104 -7.576 -11.852 -9.561 1.00 0.00 O ATOM 1557 NE2 GLN A 104 -7.457 -9.646 -9.965 1.00 0.00 N ATOM 0 H GLN A 104 -2.546 -12.432 -7.883 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.938 -10.522 -10.085 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.512 -12.541 -9.149 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.112 -11.220 -8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.095 -10.011 -10.605 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.352 -11.673 -11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.882 -8.853 -10.250 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.440 -9.505 -9.731 1.00 0.00 H new ATOM 1566 N ILE A 105 -2.554 -8.545 -8.632 1.00 0.00 N ATOM 1567 CA ILE A 105 -2.470 -7.311 -7.861 1.00 0.00 C ATOM 1568 C ILE A 105 -3.610 -6.363 -8.216 1.00 0.00 C ATOM 1569 O ILE A 105 -3.556 -5.658 -9.224 1.00 0.00 O ATOM 1570 CB ILE A 105 -1.128 -6.592 -8.094 1.00 0.00 C ATOM 1571 CG1 ILE A 105 0.024 -7.599 -8.086 1.00 0.00 C ATOM 1572 CG2 ILE A 105 -0.910 -5.522 -7.034 1.00 0.00 C ATOM 1573 CD1 ILE A 105 -0.193 -8.758 -7.138 1.00 0.00 C ATOM 0 H ILE A 105 -2.087 -8.509 -9.538 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.546 -7.590 -6.810 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.156 -6.109 -9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.164 -7.987 -9.095 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.945 -7.084 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.042 -5.023 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.718 -4.792 -7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.898 -5.985 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.663 -9.431 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.303 -8.381 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.096 -9.298 -7.424 1.00 0.00 H new ATOM 1585 N LYS A 106 -4.642 -6.348 -7.379 1.00 0.00 N ATOM 1586 CA LYS A 106 -5.796 -5.485 -7.601 1.00 0.00 C ATOM 1587 C LYS A 106 -5.688 -4.209 -6.771 1.00 0.00 C ATOM 1588 O LYS A 106 -5.516 -4.263 -5.553 1.00 0.00 O ATOM 1589 CB LYS A 106 -7.088 -6.226 -7.252 1.00 0.00 C ATOM 1590 CG LYS A 106 -8.217 -5.977 -8.237 1.00 0.00 C ATOM 1591 CD LYS A 106 -9.577 -6.103 -7.571 1.00 0.00 C ATOM 1592 CE LYS A 106 -10.491 -7.041 -8.343 1.00 0.00 C ATOM 1593 NZ LYS A 106 -11.428 -6.297 -9.231 1.00 0.00 N ATOM 0 H LYS A 106 -4.703 -6.925 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 106 -5.816 -5.211 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.883 -7.296 -7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.413 -5.924 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.113 -4.981 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.147 -6.688 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.452 -6.472 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.041 -5.119 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.888 -7.724 -8.942 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.062 -7.650 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.162 -6.945 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.875 -5.525 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.902 -5.901 -10.036 1.00 0.00 H new ATOM 1607 N ALA A 107 -5.791 -3.064 -7.437 1.00 0.00 N ATOM 1608 CA ALA A 107 -5.709 -1.776 -6.760 1.00 0.00 C ATOM 1609 C ALA A 107 -6.766 -0.811 -7.286 1.00 0.00 C ATOM 1610 O ALA A 107 -7.188 -0.906 -8.439 1.00 0.00 O ATOM 1611 CB ALA A 107 -4.319 -1.181 -6.925 1.00 0.00 C ATOM 0 H ALA A 107 -5.931 -3.002 -8.445 1.00 0.00 H new ATOM 0 HA ALA A 107 -5.899 -1.938 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -4.272 -0.219 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.580 -1.857 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -4.107 -1.040 -7.985 1.00 0.00 H new ATOM 1617 N TYR A 108 -7.189 0.117 -6.435 1.00 0.00 N ATOM 1618 CA TYR A 108 -8.199 1.098 -6.814 1.00 0.00 C ATOM 1619 C TYR A 108 -7.549 2.400 -7.274 1.00 0.00 C ATOM 1620 O TYR A 108 -6.773 3.011 -6.540 1.00 0.00 O ATOM 1621 CB TYR A 108 -9.140 1.372 -5.640 1.00 0.00 C ATOM 1622 CG TYR A 108 -9.877 0.144 -5.156 1.00 0.00 C ATOM 1623 CD1 TYR A 108 -10.345 -0.809 -6.053 1.00 0.00 C ATOM 1624 CD2 TYR A 108 -10.106 -0.064 -3.801 1.00 0.00 C ATOM 1625 CE1 TYR A 108 -11.020 -1.932 -5.615 1.00 0.00 C ATOM 1626 CE2 TYR A 108 -10.778 -1.185 -3.354 1.00 0.00 C ATOM 1627 CZ TYR A 108 -11.234 -2.116 -4.265 1.00 0.00 C ATOM 1628 OH TYR A 108 -11.904 -3.234 -3.824 1.00 0.00 O ATOM 0 H TYR A 108 -6.848 0.211 -5.478 1.00 0.00 H new ATOM 0 HA TYR A 108 -8.774 0.687 -7.644 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -8.565 1.789 -4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.867 2.128 -5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.178 -0.669 -7.111 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.752 0.663 -3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.378 -2.662 -6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.946 -1.332 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.969 -3.212 -2.846 1.00 0.00 H new ATOM 1638 N ARG A 109 -7.873 2.817 -8.493 1.00 0.00 N ATOM 1639 CA ARG A 109 -7.321 4.045 -9.052 1.00 0.00 C ATOM 1640 C ARG A 109 -8.315 5.196 -8.922 1.00 0.00 C ATOM 1641 O ARG A 109 -8.769 5.753 -9.920 1.00 0.00 O ATOM 1642 CB ARG A 109 -6.951 3.840 -10.522 1.00 0.00 C ATOM 1643 CG ARG A 109 -5.468 3.599 -10.749 1.00 0.00 C ATOM 1644 CD ARG A 109 -5.066 3.910 -12.183 1.00 0.00 C ATOM 1645 NE ARG A 109 -6.008 3.352 -13.149 1.00 0.00 N ATOM 1646 CZ ARG A 109 -5.993 3.646 -14.444 1.00 0.00 C ATOM 1647 NH1 ARG A 109 -5.089 4.488 -14.926 1.00 0.00 N ATOM 1648 NH2 ARG A 109 -6.884 3.098 -15.260 1.00 0.00 N ATOM 0 H ARG A 109 -8.515 2.323 -9.113 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.422 4.299 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.512 2.992 -10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.259 4.717 -11.091 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -4.889 4.219 -10.065 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -5.228 2.561 -10.520 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.007 4.990 -12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -4.070 3.510 -12.375 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.716 2.701 -12.811 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.403 4.912 -14.302 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.080 4.712 -15.921 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.581 2.450 -14.893 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.872 3.324 -16.254 1.00 0.00 H new ATOM 1662 N GLY A 110 -8.648 5.546 -7.683 1.00 0.00 N ATOM 1663 CA GLY A 110 -9.586 6.628 -7.445 1.00 0.00 C ATOM 1664 C GLY A 110 -10.129 6.623 -6.030 1.00 0.00 C ATOM 1665 O GLY A 110 -10.600 7.647 -5.535 1.00 0.00 O ATOM 0 H GLY A 110 -8.285 5.100 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.094 7.581 -7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.414 6.548 -8.149 1.00 0.00 H new ATOM 1669 N PHE A 111 -10.065 5.468 -5.377 1.00 0.00 N ATOM 1670 CA PHE A 111 -10.557 5.333 -4.011 1.00 0.00 C ATOM 1671 C PHE A 111 -10.050 6.476 -3.136 1.00 0.00 C ATOM 1672 O PHE A 111 -10.814 7.361 -2.746 1.00 0.00 O ATOM 1673 CB PHE A 111 -10.122 3.991 -3.419 1.00 0.00 C ATOM 1674 CG PHE A 111 -11.068 3.459 -2.381 1.00 0.00 C ATOM 1675 CD1 PHE A 111 -11.150 4.050 -1.131 1.00 0.00 C ATOM 1676 CD2 PHE A 111 -11.876 2.367 -2.656 1.00 0.00 C ATOM 1677 CE1 PHE A 111 -12.019 3.562 -0.174 1.00 0.00 C ATOM 1678 CE2 PHE A 111 -12.748 1.874 -1.703 1.00 0.00 C ATOM 1679 CZ PHE A 111 -12.820 2.473 -0.460 1.00 0.00 C ATOM 0 H PHE A 111 -9.677 4.611 -5.772 1.00 0.00 H new ATOM 0 HA PHE A 111 -11.646 5.374 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.030 3.261 -4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.133 4.102 -2.975 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -10.527 4.902 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -11.824 1.896 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.072 4.032 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.372 1.022 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 111 -13.501 2.091 0.286 1.00 0.00 H new ATOM 1689 N LEU A 112 -8.758 6.450 -2.830 1.00 0.00 N ATOM 1690 CA LEU A 112 -8.147 7.483 -2.000 1.00 0.00 C ATOM 1691 C LEU A 112 -7.159 8.317 -2.808 1.00 0.00 C ATOM 1692 O LEU A 112 -6.684 7.888 -3.858 1.00 0.00 O ATOM 1693 CB LEU A 112 -7.437 6.849 -0.802 1.00 0.00 C ATOM 1694 CG LEU A 112 -6.517 5.668 -1.116 1.00 0.00 C ATOM 1695 CD1 LEU A 112 -5.700 5.945 -2.368 1.00 0.00 C ATOM 1696 CD2 LEU A 112 -5.604 5.375 0.066 1.00 0.00 C ATOM 0 H LEU A 112 -8.113 5.725 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.939 8.140 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.849 7.620 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.193 6.516 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.135 4.789 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.052 5.094 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.371 6.104 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.091 6.836 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.956 4.532 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.993 6.252 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.208 5.131 0.940 1.00 0.00 H new ATOM 1708 N GLU A 113 -6.854 9.511 -2.310 1.00 0.00 N ATOM 1709 CA GLU A 113 -5.921 10.405 -2.986 1.00 0.00 C ATOM 1710 C GLU A 113 -4.535 10.324 -2.354 1.00 0.00 C ATOM 1711 O GLU A 113 -4.378 9.829 -1.237 1.00 0.00 O ATOM 1712 CB GLU A 113 -6.433 11.846 -2.935 1.00 0.00 C ATOM 1713 CG GLU A 113 -7.285 12.232 -4.132 1.00 0.00 C ATOM 1714 CD GLU A 113 -7.855 13.632 -4.016 1.00 0.00 C ATOM 1715 OE1 GLU A 113 -8.921 13.787 -3.384 1.00 0.00 O ATOM 1716 OE2 GLU A 113 -7.236 14.572 -4.556 1.00 0.00 O ATOM 0 H GLU A 113 -7.239 9.882 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.846 10.090 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.017 11.983 -2.025 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.581 12.523 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.684 12.163 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.102 11.519 -4.236 1.00 0.00 H new ATOM 1723 N ILE A 114 -3.532 10.812 -3.076 1.00 0.00 N ATOM 1724 CA ILE A 114 -2.159 10.795 -2.586 1.00 0.00 C ATOM 1725 C ILE A 114 -1.825 12.084 -1.844 1.00 0.00 C ATOM 1726 O ILE A 114 -2.195 13.183 -2.258 1.00 0.00 O ATOM 1727 CB ILE A 114 -1.154 10.603 -3.736 1.00 0.00 C ATOM 1728 CG1 ILE A 114 -1.411 9.274 -4.451 1.00 0.00 C ATOM 1729 CG2 ILE A 114 0.272 10.658 -3.208 1.00 0.00 C ATOM 1730 CD1 ILE A 114 -0.618 9.112 -5.729 1.00 0.00 C ATOM 0 H ILE A 114 -3.644 11.224 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.079 9.952 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.287 11.412 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.167 8.454 -3.775 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.474 9.193 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.971 10.521 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.449 11.626 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.419 9.867 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.850 8.148 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.879 9.911 -6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.448 9.160 -5.505 1.00 0.00 H new ATOM 1742 N PRO A 115 -1.106 11.950 -0.719 1.00 0.00 N ATOM 1743 CA PRO A 115 -0.702 13.094 0.104 1.00 0.00 C ATOM 1744 C PRO A 115 0.349 13.960 -0.582 1.00 0.00 C ATOM 1745 O PRO A 115 1.504 13.558 -0.717 1.00 0.00 O ATOM 1746 CB PRO A 115 -0.120 12.440 1.359 1.00 0.00 C ATOM 1747 CG PRO A 115 0.332 11.093 0.910 1.00 0.00 C ATOM 1748 CD PRO A 115 -0.630 10.671 -0.166 1.00 0.00 C ATOM 0 HA PRO A 115 -1.536 13.766 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 115 0.709 13.022 1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -0.868 12.364 2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 115 1.352 11.131 0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 115 0.327 10.384 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -0.141 10.062 -0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -1.450 10.078 0.238 1.00 0.00 H new