USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 653 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 101 ASN : amide:sc= -0.863 X(o=-1.4,f=-0.88) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.504 X(o=-1.4,f=-1.4) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= 0.985 F(o=-1.9!,f=2.1) USER MOD Set 2.2: A 85 THR OG1 : rot 98:sc= 1.08 USER MOD Set 2.3: A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= -1.74! (180deg=-4.95!) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0293 (180deg=-0.218) USER MOD Single : A 37 HIS : no HE2:sc= -0.202 K(o=-0.2,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 5:sc= 1.02 USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0.166 (180deg=0.132) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.546 USER MOD Single : A 72 CYS SG : rot -150:sc= -2.35 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 42:sc= -0.11 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 162:sc= 0.259 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 153:sc=-0.000147 (180deg=-0.747) USER MOD Single : A 98 TYR OH : rot -37:sc= 1.18 USER MOD Single : A 112 SER OG : rot -157:sc= 0.741 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -153:sc= -0.233 (180deg=-1.35) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.601 19.365 -1.496 1.00 0.00 N ATOM 363 CA PRO A 29 2.898 18.079 -1.490 1.00 0.00 C ATOM 364 C PRO A 29 1.434 18.221 -1.088 1.00 0.00 C ATOM 365 O PRO A 29 1.124 18.596 0.043 1.00 0.00 O ATOM 366 CB PRO A 29 3.663 17.262 -0.445 1.00 0.00 C ATOM 367 CG PRO A 29 4.270 18.278 0.459 1.00 0.00 C ATOM 368 CD PRO A 29 4.585 19.467 -0.405 1.00 0.00 C ATOM 0 HA PRO A 29 2.878 17.620 -2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.997 16.594 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.427 16.639 -0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.581 18.549 1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.172 17.890 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.480 20.402 0.145 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.607 19.431 -0.781 1.00 0.00 H new ATOM 376 N ASP A 30 0.538 17.917 -2.020 1.00 0.00 N ATOM 377 CA ASP A 30 -0.895 18.009 -1.762 1.00 0.00 C ATOM 378 C ASP A 30 -1.529 16.622 -1.715 1.00 0.00 C ATOM 379 O ASP A 30 -1.885 16.041 -2.740 1.00 0.00 O ATOM 380 CB ASP A 30 -1.575 18.858 -2.837 1.00 0.00 C ATOM 381 CG ASP A 30 -1.254 20.334 -2.699 1.00 0.00 C ATOM 382 OD1 ASP A 30 -0.090 20.713 -2.947 1.00 0.00 O ATOM 383 OD2 ASP A 30 -2.166 21.109 -2.341 1.00 0.00 O ATOM 0 H ASP A 30 0.778 17.605 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.034 18.486 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.261 18.512 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.654 18.717 -2.778 1.00 0.00 H new ATOM 388 N PRO A 31 -1.672 16.078 -0.498 1.00 0.00 N ATOM 389 CA PRO A 31 -2.262 14.752 -0.288 1.00 0.00 C ATOM 390 C PRO A 31 -3.759 14.731 -0.581 1.00 0.00 C ATOM 391 O PRO A 31 -4.303 13.713 -1.008 1.00 0.00 O ATOM 392 CB PRO A 31 -2.004 14.480 1.195 1.00 0.00 C ATOM 393 CG PRO A 31 -1.888 15.830 1.814 1.00 0.00 C ATOM 394 CD PRO A 31 -1.268 16.713 0.767 1.00 0.00 C ATOM 0 HA PRO A 31 -1.831 14.004 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.819 13.909 1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.093 13.899 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.866 16.207 2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.271 15.796 2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.634 17.737 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.183 16.754 0.867 1.00 0.00 H new ATOM 402 N SER A 32 -4.418 15.862 -0.349 1.00 0.00 N ATOM 403 CA SER A 32 -5.853 15.972 -0.585 1.00 0.00 C ATOM 404 C SER A 32 -6.181 15.735 -2.056 1.00 0.00 C ATOM 405 O SER A 32 -7.238 15.199 -2.390 1.00 0.00 O ATOM 406 CB SER A 32 -6.357 17.351 -0.155 1.00 0.00 C ATOM 407 OG SER A 32 -6.167 17.552 1.235 1.00 0.00 O ATOM 0 H SER A 32 -3.981 16.714 0.002 1.00 0.00 H new ATOM 0 HA SER A 32 -6.354 15.208 0.009 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.830 18.125 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.415 17.447 -0.398 1.00 0.00 H new ATOM 0 HG SER A 32 -6.495 18.441 1.485 1.00 0.00 H new ATOM 413 N LYS A 33 -5.267 16.138 -2.933 1.00 0.00 N ATOM 414 CA LYS A 33 -5.457 15.969 -4.368 1.00 0.00 C ATOM 415 C LYS A 33 -5.181 14.529 -4.788 1.00 0.00 C ATOM 416 O LYS A 33 -5.565 14.104 -5.878 1.00 0.00 O ATOM 417 CB LYS A 33 -4.540 16.921 -5.140 1.00 0.00 C ATOM 418 CG LYS A 33 -4.765 18.385 -4.807 1.00 0.00 C ATOM 419 CD LYS A 33 -5.777 19.021 -5.745 1.00 0.00 C ATOM 420 CE LYS A 33 -7.192 18.905 -5.200 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.873 17.671 -5.681 1.00 0.00 N ATOM 0 H LYS A 33 -4.387 16.584 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.495 16.204 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.502 16.664 -4.928 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.693 16.772 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.114 18.476 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.819 18.923 -4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.528 20.072 -5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.722 18.540 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.162 18.902 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.770 19.779 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.614 17.927 -6.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.179 17.048 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.302 17.174 -4.874 1.00 0.00 H new ATOM 435 N VAL A 34 -4.514 13.780 -3.915 1.00 0.00 N ATOM 436 CA VAL A 34 -4.189 12.386 -4.194 1.00 0.00 C ATOM 437 C VAL A 34 -5.396 11.484 -3.963 1.00 0.00 C ATOM 438 O VAL A 34 -5.708 11.124 -2.828 1.00 0.00 O ATOM 439 CB VAL A 34 -3.020 11.896 -3.318 1.00 0.00 C ATOM 440 CG1 VAL A 34 -2.747 10.421 -3.569 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.774 12.729 -3.578 1.00 0.00 C ATOM 0 H VAL A 34 -4.188 14.115 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.895 12.333 -5.242 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.298 12.017 -2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.918 10.092 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.637 9.840 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.490 10.272 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.958 12.369 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.491 12.642 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.979 13.773 -3.343 1.00 0.00 H new ATOM 451 N LYS A 35 -6.072 11.121 -5.048 1.00 0.00 N ATOM 452 CA LYS A 35 -7.244 10.258 -4.966 1.00 0.00 C ATOM 453 C LYS A 35 -6.974 8.908 -5.623 1.00 0.00 C ATOM 454 O LYS A 35 -6.358 8.836 -6.686 1.00 0.00 O ATOM 455 CB LYS A 35 -8.445 10.931 -5.635 1.00 0.00 C ATOM 456 CG LYS A 35 -9.252 11.810 -4.695 1.00 0.00 C ATOM 457 CD LYS A 35 -8.710 13.229 -4.656 1.00 0.00 C ATOM 458 CE LYS A 35 -9.188 14.040 -5.851 1.00 0.00 C ATOM 459 NZ LYS A 35 -10.639 14.362 -5.758 1.00 0.00 N ATOM 0 H LYS A 35 -5.828 11.411 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.468 10.091 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.093 11.535 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.097 10.162 -6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.294 11.826 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.233 11.385 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.027 13.716 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.620 13.203 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.614 14.965 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.998 13.482 -6.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.865 15.137 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.198 13.522 -6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.868 14.653 -4.786 1.00 0.00 H new ATOM 473 N ALA A 36 -7.439 7.840 -4.983 1.00 0.00 N ATOM 474 CA ALA A 36 -7.250 6.493 -5.507 1.00 0.00 C ATOM 475 C ALA A 36 -8.566 5.910 -6.010 1.00 0.00 C ATOM 476 O ALA A 36 -9.525 5.769 -5.250 1.00 0.00 O ATOM 477 CB ALA A 36 -6.645 5.592 -4.441 1.00 0.00 C ATOM 0 H ALA A 36 -7.949 7.882 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.562 6.551 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.509 4.589 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.679 5.992 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.312 5.548 -3.580 1.00 0.00 H new ATOM 483 N HIS A 37 -8.606 5.573 -7.295 1.00 0.00 N ATOM 484 CA HIS A 37 -9.806 5.005 -7.900 1.00 0.00 C ATOM 485 C HIS A 37 -9.449 3.859 -8.842 1.00 0.00 C ATOM 486 O HIS A 37 -8.602 4.007 -9.722 1.00 0.00 O ATOM 487 CB HIS A 37 -10.579 6.083 -8.659 1.00 0.00 C ATOM 488 CG HIS A 37 -9.710 6.957 -9.511 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.152 6.534 -10.699 1.00 0.00 N ATOM 490 CD2 HIS A 37 -9.304 8.237 -9.341 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.440 7.516 -11.222 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.516 8.560 -10.417 1.00 0.00 N ATOM 0 H HIS A 37 -7.822 5.683 -7.938 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.435 4.612 -7.101 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.328 5.605 -9.290 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.115 6.706 -7.943 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -9.271 5.608 -11.110 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.554 8.884 -8.513 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.889 7.472 -12.150 1.00 0.00 H new ATOM 501 N GLY A 38 -10.101 2.716 -8.650 1.00 0.00 N ATOM 502 CA GLY A 38 -9.838 1.562 -9.489 1.00 0.00 C ATOM 503 C GLY A 38 -10.309 0.267 -8.857 1.00 0.00 C ATOM 504 O GLY A 38 -10.900 0.257 -7.777 1.00 0.00 O ATOM 0 H GLY A 38 -10.807 2.569 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.334 1.695 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.768 1.498 -9.688 1.00 0.00 H new ATOM 508 N PRO A 39 -10.047 -0.858 -9.540 1.00 0.00 N ATOM 509 CA PRO A 39 -10.441 -2.185 -9.058 1.00 0.00 C ATOM 510 C PRO A 39 -9.636 -2.622 -7.839 1.00 0.00 C ATOM 511 O PRO A 39 -10.198 -3.078 -6.844 1.00 0.00 O ATOM 512 CB PRO A 39 -10.142 -3.098 -10.250 1.00 0.00 C ATOM 513 CG PRO A 39 -9.077 -2.389 -11.013 1.00 0.00 C ATOM 514 CD PRO A 39 -9.347 -0.920 -10.833 1.00 0.00 C ATOM 0 HA PRO A 39 -11.482 -2.208 -8.735 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.805 -4.081 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.030 -3.254 -10.862 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.088 -2.653 -10.639 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.103 -2.664 -12.067 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.424 -0.341 -10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.960 -0.522 -11.641 1.00 0.00 H new ATOM 522 N GLY A 40 -8.317 -2.478 -7.923 1.00 0.00 N ATOM 523 CA GLY A 40 -7.457 -2.862 -6.819 1.00 0.00 C ATOM 524 C GLY A 40 -8.011 -2.430 -5.475 1.00 0.00 C ATOM 525 O GLY A 40 -7.742 -3.061 -4.452 1.00 0.00 O ATOM 0 H GLY A 40 -7.829 -2.102 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.326 -3.944 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.470 -2.421 -6.961 1.00 0.00 H new ATOM 529 N LEU A 41 -8.785 -1.350 -5.476 1.00 0.00 N ATOM 530 CA LEU A 41 -9.377 -0.833 -4.247 1.00 0.00 C ATOM 531 C LEU A 41 -10.632 -1.615 -3.876 1.00 0.00 C ATOM 532 O LEU A 41 -10.790 -2.049 -2.735 1.00 0.00 O ATOM 533 CB LEU A 41 -9.715 0.651 -4.406 1.00 0.00 C ATOM 534 CG LEU A 41 -8.607 1.534 -4.980 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.147 2.915 -5.318 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.447 1.638 -4.001 1.00 0.00 C ATOM 0 H LEU A 41 -9.017 -0.816 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.649 -0.950 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.590 0.737 -5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.997 1.045 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.241 1.074 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.344 3.530 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.944 2.823 -6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.540 3.383 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.668 2.270 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.798 2.074 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.043 0.644 -3.809 1.00 0.00 H new ATOM 548 N GLU A 42 -11.522 -1.794 -4.848 1.00 0.00 N ATOM 549 CA GLU A 42 -12.762 -2.526 -4.623 1.00 0.00 C ATOM 550 C GLU A 42 -12.476 -3.962 -4.193 1.00 0.00 C ATOM 551 O GLU A 42 -13.158 -4.510 -3.328 1.00 0.00 O ATOM 552 CB GLU A 42 -13.620 -2.522 -5.890 1.00 0.00 C ATOM 553 CG GLU A 42 -14.049 -1.133 -6.330 1.00 0.00 C ATOM 554 CD GLU A 42 -15.016 -0.485 -5.357 1.00 0.00 C ATOM 555 OE1 GLU A 42 -15.875 -1.206 -4.807 1.00 0.00 O ATOM 556 OE2 GLU A 42 -14.913 0.741 -5.147 1.00 0.00 O ATOM 0 H GLU A 42 -11.407 -1.442 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.308 -2.027 -3.822 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.061 -2.994 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.508 -3.130 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.167 -0.501 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.516 -1.195 -7.313 1.00 0.00 H new ATOM 563 N GLY A 43 -11.462 -4.566 -4.806 1.00 0.00 N ATOM 564 CA GLY A 43 -11.104 -5.933 -4.474 1.00 0.00 C ATOM 565 C GLY A 43 -10.520 -6.682 -5.656 1.00 0.00 C ATOM 566 O GLY A 43 -10.239 -6.090 -6.697 1.00 0.00 O ATOM 0 H GLY A 43 -10.883 -4.134 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.382 -5.928 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.988 -6.460 -4.114 1.00 0.00 H new ATOM 570 N GLY A 44 -10.336 -7.988 -5.494 1.00 0.00 N ATOM 571 CA GLY A 44 -9.781 -8.797 -6.563 1.00 0.00 C ATOM 572 C GLY A 44 -9.984 -10.282 -6.333 1.00 0.00 C ATOM 573 O GLY A 44 -11.024 -10.702 -5.824 1.00 0.00 O ATOM 0 H GLY A 44 -10.561 -8.501 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.244 -8.512 -7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.715 -8.589 -6.655 1.00 0.00 H new ATOM 577 N LEU A 45 -8.990 -11.078 -6.709 1.00 0.00 N ATOM 578 CA LEU A 45 -9.064 -12.526 -6.542 1.00 0.00 C ATOM 579 C LEU A 45 -7.752 -13.079 -5.996 1.00 0.00 C ATOM 580 O LEU A 45 -6.670 -12.636 -6.382 1.00 0.00 O ATOM 581 CB LEU A 45 -9.398 -13.196 -7.876 1.00 0.00 C ATOM 582 CG LEU A 45 -10.691 -12.739 -8.552 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.651 -13.043 -10.042 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.896 -13.404 -7.903 1.00 0.00 C ATOM 0 H LEU A 45 -8.123 -10.746 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.855 -12.745 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.571 -13.022 -8.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.457 -14.272 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.783 -11.660 -8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.580 -12.711 -10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.810 -12.520 -10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.535 -14.116 -10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.807 -13.067 -8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.810 -14.486 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.935 -13.136 -6.847 1.00 0.00 H new ATOM 596 N VAL A 46 -7.855 -14.053 -5.097 1.00 0.00 N ATOM 597 CA VAL A 46 -6.676 -14.670 -4.500 1.00 0.00 C ATOM 598 C VAL A 46 -5.733 -15.204 -5.572 1.00 0.00 C ATOM 599 O VAL A 46 -6.163 -15.858 -6.522 1.00 0.00 O ATOM 600 CB VAL A 46 -7.064 -15.821 -3.553 1.00 0.00 C ATOM 601 CG1 VAL A 46 -5.822 -16.458 -2.950 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.000 -15.321 -2.463 1.00 0.00 C ATOM 0 H VAL A 46 -8.742 -14.432 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.168 -13.894 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.589 -16.582 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.116 -17.269 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.192 -16.853 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.266 -15.709 -2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.264 -16.147 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.503 -14.541 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.904 -14.916 -2.917 1.00 0.00 H new ATOM 612 N GLY A 47 -4.444 -14.922 -5.413 1.00 0.00 N ATOM 613 CA GLY A 47 -3.459 -15.382 -6.375 1.00 0.00 C ATOM 614 C GLY A 47 -3.353 -14.467 -7.578 1.00 0.00 C ATOM 615 O GLY A 47 -2.293 -14.362 -8.196 1.00 0.00 O ATOM 0 H GLY A 47 -4.064 -14.383 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.486 -15.452 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.722 -16.386 -6.708 1.00 0.00 H new ATOM 619 N LYS A 48 -4.454 -13.804 -7.915 1.00 0.00 N ATOM 620 CA LYS A 48 -4.481 -12.893 -9.053 1.00 0.00 C ATOM 621 C LYS A 48 -4.050 -11.490 -8.638 1.00 0.00 C ATOM 622 O LYS A 48 -4.346 -11.024 -7.537 1.00 0.00 O ATOM 623 CB LYS A 48 -5.884 -12.848 -9.662 1.00 0.00 C ATOM 624 CG LYS A 48 -6.117 -13.898 -10.734 1.00 0.00 C ATOM 625 CD LYS A 48 -7.127 -13.427 -11.767 1.00 0.00 C ATOM 626 CE LYS A 48 -7.134 -14.330 -12.991 1.00 0.00 C ATOM 627 NZ LYS A 48 -7.661 -15.687 -12.677 1.00 0.00 N ATOM 0 H LYS A 48 -5.340 -13.881 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.779 -13.263 -9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.619 -12.982 -8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.053 -11.860 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.173 -14.131 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.471 -14.819 -10.271 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.122 -13.407 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.892 -12.406 -12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.742 -13.876 -13.773 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.121 -14.416 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.649 -16.272 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.066 -16.131 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.637 -15.608 -12.326 1.00 0.00 H new ATOM 641 N PRO A 49 -3.335 -10.799 -9.538 1.00 0.00 N ATOM 642 CA PRO A 49 -2.850 -9.439 -9.288 1.00 0.00 C ATOM 643 C PRO A 49 -3.981 -8.417 -9.256 1.00 0.00 C ATOM 644 O PRO A 49 -5.039 -8.629 -9.848 1.00 0.00 O ATOM 645 CB PRO A 49 -1.920 -9.170 -10.473 1.00 0.00 C ATOM 646 CG PRO A 49 -2.419 -10.063 -11.556 1.00 0.00 C ATOM 647 CD PRO A 49 -2.946 -11.293 -10.870 1.00 0.00 C ATOM 0 HA PRO A 49 -2.362 -9.353 -8.317 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.956 -8.123 -10.775 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.883 -9.394 -10.221 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.202 -9.574 -12.135 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.619 -10.317 -12.252 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.795 -11.719 -11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.187 -12.073 -10.804 1.00 0.00 H new ATOM 655 N ALA A 50 -3.751 -7.307 -8.562 1.00 0.00 N ATOM 656 CA ALA A 50 -4.750 -6.251 -8.456 1.00 0.00 C ATOM 657 C ALA A 50 -4.091 -4.889 -8.262 1.00 0.00 C ATOM 658 O ALA A 50 -3.276 -4.707 -7.357 1.00 0.00 O ATOM 659 CB ALA A 50 -5.707 -6.544 -7.310 1.00 0.00 C ATOM 0 H ALA A 50 -2.881 -7.116 -8.065 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.314 -6.223 -9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.448 -5.747 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.211 -7.494 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.149 -6.601 -6.375 1.00 0.00 H new ATOM 665 N GLU A 51 -4.448 -3.937 -9.118 1.00 0.00 N ATOM 666 CA GLU A 51 -3.889 -2.592 -9.040 1.00 0.00 C ATOM 667 C GLU A 51 -4.982 -1.539 -9.196 1.00 0.00 C ATOM 668 O GLU A 51 -6.146 -1.866 -9.431 1.00 0.00 O ATOM 669 CB GLU A 51 -2.821 -2.397 -10.118 1.00 0.00 C ATOM 670 CG GLU A 51 -3.234 -2.914 -11.486 1.00 0.00 C ATOM 671 CD GLU A 51 -2.225 -2.578 -12.566 1.00 0.00 C ATOM 672 OE1 GLU A 51 -1.011 -2.708 -12.304 1.00 0.00 O ATOM 673 OE2 GLU A 51 -2.648 -2.185 -13.673 1.00 0.00 O ATOM 0 H GLU A 51 -5.121 -4.072 -9.873 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.431 -2.473 -8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.586 -1.336 -10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.907 -2.904 -9.808 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.362 -3.995 -11.438 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.202 -2.490 -11.754 1.00 0.00 H new ATOM 680 N PHE A 52 -4.600 -0.273 -9.063 1.00 0.00 N ATOM 681 CA PHE A 52 -5.546 0.829 -9.187 1.00 0.00 C ATOM 682 C PHE A 52 -4.882 2.048 -9.820 1.00 0.00 C ATOM 683 O PHE A 52 -3.688 2.033 -10.121 1.00 0.00 O ATOM 684 CB PHE A 52 -6.114 1.198 -7.815 1.00 0.00 C ATOM 685 CG PHE A 52 -5.075 1.257 -6.732 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.673 0.105 -6.075 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.500 2.465 -6.370 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.717 0.155 -5.079 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.543 2.521 -5.375 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.152 1.366 -4.727 1.00 0.00 C ATOM 0 H PHE A 52 -3.641 0.015 -8.869 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.361 0.504 -9.835 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.610 2.166 -7.885 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.875 0.469 -7.538 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.113 -0.844 -6.345 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.803 3.372 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.412 -0.751 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.101 3.468 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.406 1.409 -3.947 1.00 0.00 H new ATOM 700 N THR A 53 -5.664 3.104 -10.020 1.00 0.00 N ATOM 701 CA THR A 53 -5.154 4.331 -10.618 1.00 0.00 C ATOM 702 C THR A 53 -5.153 5.475 -9.610 1.00 0.00 C ATOM 703 O THR A 53 -6.188 5.806 -9.031 1.00 0.00 O ATOM 704 CB THR A 53 -5.986 4.745 -11.846 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.156 3.626 -12.723 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.313 5.885 -12.596 1.00 0.00 C ATOM 0 H THR A 53 -6.654 3.134 -9.776 1.00 0.00 H new ATOM 0 HA THR A 53 -4.131 4.127 -10.933 1.00 0.00 H new ATOM 0 HB THR A 53 -6.961 5.085 -11.498 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.688 3.897 -13.500 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.919 6.160 -13.459 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.211 6.746 -11.935 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.326 5.567 -12.932 1.00 0.00 H new ATOM 714 N ILE A 54 -3.985 6.075 -9.406 1.00 0.00 N ATOM 715 CA ILE A 54 -3.851 7.184 -8.469 1.00 0.00 C ATOM 716 C ILE A 54 -3.704 8.511 -9.205 1.00 0.00 C ATOM 717 O ILE A 54 -2.999 8.601 -10.210 1.00 0.00 O ATOM 718 CB ILE A 54 -2.640 6.990 -7.537 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.777 5.684 -6.752 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.506 8.172 -6.589 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.595 5.392 -5.854 1.00 0.00 C ATOM 0 H ILE A 54 -3.119 5.812 -9.876 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.761 7.203 -7.870 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.738 6.933 -8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.682 5.727 -6.146 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.903 4.859 -7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.646 8.020 -5.937 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.367 9.087 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.409 8.258 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.761 4.451 -5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.690 5.316 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.481 6.198 -5.129 1.00 0.00 H new ATOM 733 N ASP A 55 -4.374 9.540 -8.697 1.00 0.00 N ATOM 734 CA ASP A 55 -4.316 10.865 -9.304 1.00 0.00 C ATOM 735 C ASP A 55 -3.434 11.801 -8.484 1.00 0.00 C ATOM 736 O ASP A 55 -3.844 12.298 -7.435 1.00 0.00 O ATOM 737 CB ASP A 55 -5.722 11.452 -9.433 1.00 0.00 C ATOM 738 CG ASP A 55 -5.723 12.811 -10.104 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.993 13.707 -9.631 1.00 0.00 O ATOM 740 OD2 ASP A 55 -6.453 12.979 -11.104 1.00 0.00 O ATOM 0 H ASP A 55 -4.963 9.482 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.880 10.763 -10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.347 10.767 -10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.169 11.539 -8.442 1.00 0.00 H new ATOM 745 N THR A 56 -2.218 12.036 -8.969 1.00 0.00 N ATOM 746 CA THR A 56 -1.277 12.910 -8.280 1.00 0.00 C ATOM 747 C THR A 56 -0.869 14.083 -9.163 1.00 0.00 C ATOM 748 O THR A 56 0.126 14.758 -8.897 1.00 0.00 O ATOM 749 CB THR A 56 -0.013 12.144 -7.846 1.00 0.00 C ATOM 750 OG1 THR A 56 0.593 11.517 -8.982 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.350 11.092 -6.800 1.00 0.00 C ATOM 0 H THR A 56 -1.862 11.633 -9.836 1.00 0.00 H new ATOM 0 HA THR A 56 -1.787 13.287 -7.393 1.00 0.00 H new ATOM 0 HB THR A 56 0.686 12.857 -7.409 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.114 11.780 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.558 10.564 -6.509 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.785 11.575 -5.925 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.065 10.382 -7.215 1.00 0.00 H new ATOM 759 N LYS A 57 -1.643 14.323 -10.216 1.00 0.00 N ATOM 760 CA LYS A 57 -1.364 15.417 -11.139 1.00 0.00 C ATOM 761 C LYS A 57 -1.418 16.762 -10.421 1.00 0.00 C ATOM 762 O LYS A 57 -2.476 17.188 -9.960 1.00 0.00 O ATOM 763 CB LYS A 57 -2.366 15.404 -12.295 1.00 0.00 C ATOM 764 CG LYS A 57 -2.404 14.087 -13.052 1.00 0.00 C ATOM 765 CD LYS A 57 -3.430 13.135 -12.462 1.00 0.00 C ATOM 766 CE LYS A 57 -4.025 12.227 -13.528 1.00 0.00 C ATOM 767 NZ LYS A 57 -4.821 11.119 -12.932 1.00 0.00 N ATOM 0 H LYS A 57 -2.470 13.774 -10.452 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.359 15.277 -11.536 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.361 15.618 -11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.117 16.206 -12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.640 14.275 -14.099 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.418 13.623 -13.026 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.962 12.529 -11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.226 13.706 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.660 12.814 -14.192 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.224 11.811 -14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.237 10.543 -13.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.202 10.524 -12.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.581 11.515 -12.342 1.00 0.00 H new ATOM 781 N GLY A 58 -0.269 17.426 -10.330 1.00 0.00 N ATOM 782 CA GLY A 58 -0.209 18.716 -9.668 1.00 0.00 C ATOM 783 C GLY A 58 0.023 18.591 -8.176 1.00 0.00 C ATOM 784 O GLY A 58 0.606 19.480 -7.555 1.00 0.00 O ATOM 0 H GLY A 58 0.620 17.094 -10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.592 19.310 -10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.140 19.255 -9.844 1.00 0.00 H new ATOM 788 N ALA A 59 -0.437 17.487 -7.597 1.00 0.00 N ATOM 789 CA ALA A 59 -0.277 17.249 -6.168 1.00 0.00 C ATOM 790 C ALA A 59 1.068 17.770 -5.673 1.00 0.00 C ATOM 791 O ALA A 59 1.156 18.369 -4.602 1.00 0.00 O ATOM 792 CB ALA A 59 -0.417 15.765 -5.861 1.00 0.00 C ATOM 0 H ALA A 59 -0.924 16.743 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.063 17.792 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.295 15.602 -4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.404 15.421 -6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.348 15.208 -6.402 1.00 0.00 H new ATOM 798 N GLY A 60 2.114 17.536 -6.459 1.00 0.00 N ATOM 799 CA GLY A 60 3.441 17.987 -6.082 1.00 0.00 C ATOM 800 C GLY A 60 4.458 16.863 -6.084 1.00 0.00 C ATOM 801 O GLY A 60 4.398 15.961 -6.920 1.00 0.00 O ATOM 0 H GLY A 60 2.066 17.042 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.765 18.767 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.401 18.435 -5.089 1.00 0.00 H new ATOM 805 N THR A 61 5.399 16.916 -5.146 1.00 0.00 N ATOM 806 CA THR A 61 6.435 15.897 -5.044 1.00 0.00 C ATOM 807 C THR A 61 6.718 15.544 -3.588 1.00 0.00 C ATOM 808 O THR A 61 6.448 16.334 -2.684 1.00 0.00 O ATOM 809 CB THR A 61 7.744 16.358 -5.712 1.00 0.00 C ATOM 810 OG1 THR A 61 8.628 15.244 -5.878 1.00 0.00 O ATOM 811 CG2 THR A 61 8.426 17.435 -4.882 1.00 0.00 C ATOM 0 H THR A 61 5.464 17.655 -4.446 1.00 0.00 H new ATOM 0 HA THR A 61 6.062 15.014 -5.563 1.00 0.00 H new ATOM 0 HB THR A 61 7.500 16.776 -6.689 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.457 15.545 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.348 17.744 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.762 18.294 -4.783 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.658 17.040 -3.893 1.00 0.00 H new ATOM 819 N GLY A 62 7.265 14.352 -3.368 1.00 0.00 N ATOM 820 CA GLY A 62 7.577 13.917 -2.019 1.00 0.00 C ATOM 821 C GLY A 62 7.677 12.408 -1.906 1.00 0.00 C ATOM 822 O GLY A 62 8.255 11.751 -2.770 1.00 0.00 O ATOM 0 H GLY A 62 7.497 13.680 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.520 14.365 -1.705 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.808 14.279 -1.336 1.00 0.00 H new ATOM 826 N GLY A 63 7.114 11.858 -0.835 1.00 0.00 N ATOM 827 CA GLY A 63 7.155 10.422 -0.630 1.00 0.00 C ATOM 828 C GLY A 63 5.788 9.839 -0.329 1.00 0.00 C ATOM 829 O GLY A 63 4.982 10.456 0.369 1.00 0.00 O ATOM 0 H GLY A 63 6.630 12.381 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.563 9.943 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.833 10.195 0.193 1.00 0.00 H new ATOM 833 N LEU A 64 5.525 8.650 -0.858 1.00 0.00 N ATOM 834 CA LEU A 64 4.245 7.984 -0.644 1.00 0.00 C ATOM 835 C LEU A 64 4.440 6.637 0.045 1.00 0.00 C ATOM 836 O LEU A 64 5.299 5.847 -0.345 1.00 0.00 O ATOM 837 CB LEU A 64 3.520 7.787 -1.977 1.00 0.00 C ATOM 838 CG LEU A 64 2.074 7.300 -1.890 1.00 0.00 C ATOM 839 CD1 LEU A 64 1.167 8.409 -1.379 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.596 6.801 -3.245 1.00 0.00 C ATOM 0 H LEU A 64 6.181 8.127 -1.438 1.00 0.00 H new ATOM 0 HA LEU A 64 3.638 8.618 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.531 8.734 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.087 7.073 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 64 2.033 6.470 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.141 8.044 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.496 8.720 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.213 9.259 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.564 6.458 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.653 7.611 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.228 5.975 -3.572 1.00 0.00 H new ATOM 852 N GLY A 65 3.634 6.380 1.071 1.00 0.00 N ATOM 853 CA GLY A 65 3.733 5.127 1.796 1.00 0.00 C ATOM 854 C GLY A 65 2.527 4.235 1.579 1.00 0.00 C ATOM 855 O GLY A 65 1.404 4.598 1.933 1.00 0.00 O ATOM 0 H GLY A 65 2.915 7.017 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.633 4.599 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.841 5.334 2.861 1.00 0.00 H new ATOM 859 N LEU A 66 2.756 3.065 0.994 1.00 0.00 N ATOM 860 CA LEU A 66 1.679 2.118 0.728 1.00 0.00 C ATOM 861 C LEU A 66 1.892 0.820 1.501 1.00 0.00 C ATOM 862 O LEU A 66 2.854 0.090 1.259 1.00 0.00 O ATOM 863 CB LEU A 66 1.590 1.824 -0.770 1.00 0.00 C ATOM 864 CG LEU A 66 0.247 1.292 -1.271 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.739 2.432 -1.470 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.431 0.512 -2.565 1.00 0.00 C ATOM 0 H LEU A 66 3.678 2.749 0.695 1.00 0.00 H new ATOM 0 HA LEU A 66 0.743 2.568 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.821 2.740 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.363 1.099 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.158 0.617 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.689 2.034 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.895 2.948 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.341 3.133 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.535 0.141 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.859 1.165 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.102 -0.329 -2.390 1.00 0.00 H new ATOM 878 N THR A 67 0.986 0.536 2.432 1.00 0.00 N ATOM 879 CA THR A 67 1.073 -0.674 3.239 1.00 0.00 C ATOM 880 C THR A 67 -0.269 -1.395 3.297 1.00 0.00 C ATOM 881 O THR A 67 -1.301 -0.785 3.574 1.00 0.00 O ATOM 882 CB THR A 67 1.536 -0.359 4.674 1.00 0.00 C ATOM 883 OG1 THR A 67 0.782 0.738 5.202 1.00 0.00 O ATOM 884 CG2 THR A 67 3.019 -0.023 4.703 1.00 0.00 C ATOM 0 H THR A 67 0.183 1.128 2.645 1.00 0.00 H new ATOM 0 HA THR A 67 1.809 -1.321 2.761 1.00 0.00 H new ATOM 0 HB THR A 67 1.369 -1.243 5.289 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.081 0.931 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.323 0.196 5.727 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.592 -0.871 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.207 0.848 4.075 1.00 0.00 H new ATOM 892 N VAL A 68 -0.247 -2.698 3.033 1.00 0.00 N ATOM 893 CA VAL A 68 -1.463 -3.503 3.057 1.00 0.00 C ATOM 894 C VAL A 68 -1.741 -4.037 4.457 1.00 0.00 C ATOM 895 O VAL A 68 -1.048 -4.932 4.939 1.00 0.00 O ATOM 896 CB VAL A 68 -1.371 -4.687 2.076 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.554 -5.625 2.260 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.294 -4.186 0.642 1.00 0.00 C ATOM 0 H VAL A 68 0.599 -3.218 2.800 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.281 -2.851 2.752 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.459 -5.245 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.472 -6.455 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.558 -6.010 3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.481 -5.083 2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.229 -5.036 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.186 -3.604 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.411 -3.558 0.523 1.00 0.00 H new ATOM 908 N GLU A 69 -2.761 -3.481 5.104 1.00 0.00 N ATOM 909 CA GLU A 69 -3.130 -3.902 6.451 1.00 0.00 C ATOM 910 C GLU A 69 -4.104 -5.077 6.405 1.00 0.00 C ATOM 911 O GLU A 69 -5.251 -4.964 6.837 1.00 0.00 O ATOM 912 CB GLU A 69 -3.755 -2.737 7.220 1.00 0.00 C ATOM 913 CG GLU A 69 -2.744 -1.903 7.989 1.00 0.00 C ATOM 914 CD GLU A 69 -2.409 -2.496 9.344 1.00 0.00 C ATOM 915 OE1 GLU A 69 -3.347 -2.771 10.120 1.00 0.00 O ATOM 916 OE2 GLU A 69 -1.207 -2.685 9.626 1.00 0.00 O ATOM 0 H GLU A 69 -3.345 -2.739 4.718 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.224 -4.223 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.286 -2.093 6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.496 -3.129 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.831 -1.812 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.138 -0.896 8.125 1.00 0.00 H new ATOM 923 N GLY A 70 -3.637 -6.205 5.879 1.00 0.00 N ATOM 924 CA GLY A 70 -4.479 -7.384 5.786 1.00 0.00 C ATOM 925 C GLY A 70 -4.061 -8.472 6.754 1.00 0.00 C ATOM 926 O GLY A 70 -3.037 -8.371 7.431 1.00 0.00 O ATOM 0 H GLY A 70 -2.691 -6.324 5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.514 -7.104 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.443 -7.773 4.769 1.00 0.00 H new ATOM 930 N PRO A 71 -4.865 -9.543 6.830 1.00 0.00 N ATOM 931 CA PRO A 71 -4.594 -10.675 7.721 1.00 0.00 C ATOM 932 C PRO A 71 -3.388 -11.492 7.270 1.00 0.00 C ATOM 933 O PRO A 71 -2.818 -12.257 8.049 1.00 0.00 O ATOM 934 CB PRO A 71 -5.872 -11.513 7.629 1.00 0.00 C ATOM 935 CG PRO A 71 -6.454 -11.171 6.301 1.00 0.00 C ATOM 936 CD PRO A 71 -6.101 -9.731 6.053 1.00 0.00 C ATOM 0 HA PRO A 71 -4.354 -10.349 8.733 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.653 -12.578 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.562 -11.273 8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.047 -11.813 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.535 -11.314 6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.943 -9.533 4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.892 -9.060 6.388 1.00 0.00 H new ATOM 944 N CYS A 72 -3.004 -11.324 6.010 1.00 0.00 N ATOM 945 CA CYS A 72 -1.865 -12.047 5.455 1.00 0.00 C ATOM 946 C CYS A 72 -0.817 -11.078 4.916 1.00 0.00 C ATOM 947 O CYS A 72 -1.018 -9.864 4.924 1.00 0.00 O ATOM 948 CB CYS A 72 -2.325 -12.990 4.343 1.00 0.00 C ATOM 949 SG CYS A 72 -2.742 -14.655 4.912 1.00 0.00 S ATOM 0 H CYS A 72 -3.464 -10.694 5.353 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.414 -12.634 6.255 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.196 -12.557 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.538 -13.061 3.592 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.505 -15.510 3.962 1.00 0.00 H new ATOM 955 N GLU A 73 0.302 -11.624 4.450 1.00 0.00 N ATOM 956 CA GLU A 73 1.382 -10.807 3.910 1.00 0.00 C ATOM 957 C GLU A 73 1.384 -10.847 2.384 1.00 0.00 C ATOM 958 O GLU A 73 2.036 -11.695 1.776 1.00 0.00 O ATOM 959 CB GLU A 73 2.732 -11.289 4.445 1.00 0.00 C ATOM 960 CG GLU A 73 3.925 -10.661 3.742 1.00 0.00 C ATOM 961 CD GLU A 73 5.250 -11.165 4.280 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.577 -10.849 5.443 1.00 0.00 O ATOM 963 OE2 GLU A 73 5.960 -11.875 3.538 1.00 0.00 O ATOM 0 H GLU A 73 0.484 -12.628 4.436 1.00 0.00 H new ATOM 0 HA GLU A 73 1.219 -9.778 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.791 -11.068 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.789 -12.373 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.866 -10.873 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.880 -9.578 3.855 1.00 0.00 H new ATOM 970 N ALA A 74 0.648 -9.924 1.773 1.00 0.00 N ATOM 971 CA ALA A 74 0.566 -9.853 0.319 1.00 0.00 C ATOM 972 C ALA A 74 1.623 -8.910 -0.245 1.00 0.00 C ATOM 973 O ALA A 74 1.830 -7.811 0.272 1.00 0.00 O ATOM 974 CB ALA A 74 -0.825 -9.407 -0.109 1.00 0.00 C ATOM 0 H ALA A 74 0.100 -9.216 2.262 1.00 0.00 H new ATOM 0 HA ALA A 74 0.756 -10.849 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.873 -9.358 -1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.564 -10.121 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.036 -8.422 0.308 1.00 0.00 H new ATOM 980 N LYS A 75 2.291 -9.345 -1.308 1.00 0.00 N ATOM 981 CA LYS A 75 3.327 -8.540 -1.943 1.00 0.00 C ATOM 982 C LYS A 75 2.745 -7.245 -2.500 1.00 0.00 C ATOM 983 O LYS A 75 1.560 -7.177 -2.828 1.00 0.00 O ATOM 984 CB LYS A 75 4.001 -9.333 -3.065 1.00 0.00 C ATOM 985 CG LYS A 75 5.438 -8.914 -3.327 1.00 0.00 C ATOM 986 CD LYS A 75 6.403 -9.617 -2.388 1.00 0.00 C ATOM 987 CE LYS A 75 6.656 -11.053 -2.820 1.00 0.00 C ATOM 988 NZ LYS A 75 7.393 -11.824 -1.781 1.00 0.00 N ATOM 0 H LYS A 75 2.133 -10.252 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 75 4.071 -8.288 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.981 -10.393 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.423 -9.213 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.702 -9.142 -4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.531 -7.835 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.347 -9.073 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.000 -9.606 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.705 -11.542 -3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.227 -11.058 -3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.546 -12.797 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.312 -11.372 -1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.837 -11.842 -0.902 1.00 0.00 H new ATOM 1002 N ILE A 76 3.585 -6.221 -2.606 1.00 0.00 N ATOM 1003 CA ILE A 76 3.153 -4.929 -3.126 1.00 0.00 C ATOM 1004 C ILE A 76 4.189 -4.347 -4.082 1.00 0.00 C ATOM 1005 O ILE A 76 5.320 -4.064 -3.688 1.00 0.00 O ATOM 1006 CB ILE A 76 2.896 -3.922 -1.989 1.00 0.00 C ATOM 1007 CG1 ILE A 76 1.908 -4.504 -0.977 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.374 -2.609 -2.553 1.00 0.00 C ATOM 1009 CD1 ILE A 76 1.827 -3.714 0.311 1.00 0.00 C ATOM 0 H ILE A 76 4.569 -6.261 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 76 2.221 -5.101 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 76 3.838 -3.726 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.918 -4.546 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.197 -5.530 -0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.197 -1.908 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.110 -2.190 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.441 -2.788 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.108 -4.184 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.807 -3.693 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.508 -2.695 0.093 1.00 0.00 H new ATOM 1021 N GLU A 77 3.793 -4.170 -5.338 1.00 0.00 N ATOM 1022 CA GLU A 77 4.688 -3.620 -6.350 1.00 0.00 C ATOM 1023 C GLU A 77 4.286 -2.194 -6.714 1.00 0.00 C ATOM 1024 O GLU A 77 3.341 -1.979 -7.474 1.00 0.00 O ATOM 1025 CB GLU A 77 4.680 -4.500 -7.602 1.00 0.00 C ATOM 1026 CG GLU A 77 5.691 -5.634 -7.555 1.00 0.00 C ATOM 1027 CD GLU A 77 7.040 -5.236 -8.122 1.00 0.00 C ATOM 1028 OE1 GLU A 77 7.478 -4.095 -7.868 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.658 -6.068 -8.820 1.00 0.00 O ATOM 0 H GLU A 77 2.860 -4.399 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 77 5.696 -3.600 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.683 -4.919 -7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.884 -3.879 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.817 -5.961 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.303 -6.485 -8.114 1.00 0.00 H new ATOM 1036 N CYS A 78 5.010 -1.224 -6.167 1.00 0.00 N ATOM 1037 CA CYS A 78 4.729 0.183 -6.433 1.00 0.00 C ATOM 1038 C CYS A 78 5.387 0.632 -7.734 1.00 0.00 C ATOM 1039 O CYS A 78 6.539 1.067 -7.740 1.00 0.00 O ATOM 1040 CB CYS A 78 5.219 1.050 -5.273 1.00 0.00 C ATOM 1041 SG CYS A 78 6.980 0.867 -4.906 1.00 0.00 S ATOM 0 H CYS A 78 5.796 -1.385 -5.537 1.00 0.00 H new ATOM 0 HA CYS A 78 3.650 0.300 -6.534 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.014 2.095 -5.503 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.645 0.801 -4.380 1.00 0.00 H new ATOM 0 HG CYS A 78 7.653 0.822 -6.018 1.00 0.00 H new ATOM 1047 N SER A 79 4.649 0.523 -8.833 1.00 0.00 N ATOM 1048 CA SER A 79 5.163 0.913 -10.141 1.00 0.00 C ATOM 1049 C SER A 79 4.920 2.397 -10.399 1.00 0.00 C ATOM 1050 O SER A 79 3.939 2.968 -9.925 1.00 0.00 O ATOM 1051 CB SER A 79 4.504 0.078 -11.241 1.00 0.00 C ATOM 1052 OG SER A 79 5.270 -1.079 -11.531 1.00 0.00 O ATOM 0 H SER A 79 3.693 0.168 -8.844 1.00 0.00 H new ATOM 0 HA SER A 79 6.238 0.731 -10.151 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.502 -0.215 -10.929 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.394 0.680 -12.143 1.00 0.00 H new ATOM 0 HG SER A 79 4.827 -1.596 -12.236 1.00 0.00 H new ATOM 1058 N ASP A 80 5.823 3.014 -11.154 1.00 0.00 N ATOM 1059 CA ASP A 80 5.708 4.432 -11.477 1.00 0.00 C ATOM 1060 C ASP A 80 5.469 4.631 -12.971 1.00 0.00 C ATOM 1061 O ASP A 80 6.081 3.961 -13.802 1.00 0.00 O ATOM 1062 CB ASP A 80 6.971 5.179 -11.046 1.00 0.00 C ATOM 1063 CG ASP A 80 7.007 5.441 -9.554 1.00 0.00 C ATOM 1064 OD1 ASP A 80 7.444 4.544 -8.804 1.00 0.00 O ATOM 1065 OD2 ASP A 80 6.598 6.545 -9.135 1.00 0.00 O ATOM 0 H ASP A 80 6.642 2.555 -11.553 1.00 0.00 H new ATOM 0 HA ASP A 80 4.854 4.835 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.848 4.598 -11.331 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.029 6.127 -11.580 1.00 0.00 H new ATOM 1070 N ASN A 81 4.574 5.556 -13.304 1.00 0.00 N ATOM 1071 CA ASN A 81 4.253 5.842 -14.697 1.00 0.00 C ATOM 1072 C ASN A 81 5.072 7.021 -15.213 1.00 0.00 C ATOM 1073 O ASN A 81 5.645 6.964 -16.300 1.00 0.00 O ATOM 1074 CB ASN A 81 2.760 6.139 -14.847 1.00 0.00 C ATOM 1075 CG ASN A 81 1.891 5.004 -14.341 1.00 0.00 C ATOM 1076 OD1 ASN A 81 0.980 5.318 -13.428 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 2.037 3.858 -14.767 1.00 0.00 N flip ATOM 0 H ASN A 81 4.059 6.120 -12.628 1.00 0.00 H new ATOM 0 HA ASN A 81 4.503 4.962 -15.290 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.517 7.050 -14.301 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.533 6.326 -15.897 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.750 3.662 -15.469 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.445 3.105 -14.418 1.00 0.00 H new ATOM 1084 N GLY A 82 5.122 8.090 -14.424 1.00 0.00 N ATOM 1085 CA GLY A 82 5.874 9.268 -14.817 1.00 0.00 C ATOM 1086 C GLY A 82 4.977 10.407 -15.260 1.00 0.00 C ATOM 1087 O GLY A 82 5.417 11.553 -15.352 1.00 0.00 O ATOM 0 H GLY A 82 4.655 8.161 -13.520 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.489 9.598 -13.980 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.553 9.008 -15.629 1.00 0.00 H new ATOM 1091 N ASP A 83 3.716 10.092 -15.535 1.00 0.00 N ATOM 1092 CA ASP A 83 2.754 11.098 -15.972 1.00 0.00 C ATOM 1093 C ASP A 83 1.931 11.609 -14.794 1.00 0.00 C ATOM 1094 O ASP A 83 0.828 12.124 -14.971 1.00 0.00 O ATOM 1095 CB ASP A 83 1.829 10.519 -17.044 1.00 0.00 C ATOM 1096 CG ASP A 83 1.225 11.592 -17.928 1.00 0.00 C ATOM 1097 OD1 ASP A 83 1.121 12.749 -17.470 1.00 0.00 O ATOM 1098 OD2 ASP A 83 0.858 11.275 -19.078 1.00 0.00 O ATOM 0 H ASP A 83 3.336 9.148 -15.463 1.00 0.00 H new ATOM 0 HA ASP A 83 3.308 11.935 -16.396 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.388 9.816 -17.661 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.029 9.955 -16.564 1.00 0.00 H new ATOM 1103 N GLY A 84 2.475 11.462 -13.589 1.00 0.00 N ATOM 1104 CA GLY A 84 1.776 11.912 -12.400 1.00 0.00 C ATOM 1105 C GLY A 84 0.756 10.904 -11.909 1.00 0.00 C ATOM 1106 O GLY A 84 -0.267 11.274 -11.332 1.00 0.00 O ATOM 0 H GLY A 84 3.387 11.039 -13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.500 12.106 -11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.275 12.857 -12.613 1.00 0.00 H new ATOM 1110 N THR A 85 1.033 9.624 -12.141 1.00 0.00 N ATOM 1111 CA THR A 85 0.130 8.559 -11.722 1.00 0.00 C ATOM 1112 C THR A 85 0.905 7.366 -11.174 1.00 0.00 C ATOM 1113 O THR A 85 2.094 7.205 -11.454 1.00 0.00 O ATOM 1114 CB THR A 85 -0.761 8.088 -12.886 1.00 0.00 C ATOM 1115 OG1 THR A 85 0.048 7.759 -14.021 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.767 9.163 -13.268 1.00 0.00 C ATOM 0 H THR A 85 1.875 9.300 -12.617 1.00 0.00 H new ATOM 0 HA THR A 85 -0.502 8.971 -10.935 1.00 0.00 H new ATOM 0 HB THR A 85 -1.307 7.202 -12.561 1.00 0.00 H new ATOM 0 HG1 THR A 85 0.191 6.790 -14.051 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.385 8.807 -14.092 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.401 9.389 -12.411 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.237 10.065 -13.575 1.00 0.00 H new ATOM 1124 N CYS A 86 0.225 6.533 -10.395 1.00 0.00 N ATOM 1125 CA CYS A 86 0.851 5.353 -9.808 1.00 0.00 C ATOM 1126 C CYS A 86 0.043 4.097 -10.119 1.00 0.00 C ATOM 1127 O CYS A 86 -1.183 4.092 -10.007 1.00 0.00 O ATOM 1128 CB CYS A 86 0.988 5.523 -8.294 1.00 0.00 C ATOM 1129 SG CYS A 86 2.275 6.691 -7.796 1.00 0.00 S ATOM 0 H CYS A 86 -0.759 6.652 -10.155 1.00 0.00 H new ATOM 0 HA CYS A 86 1.843 5.243 -10.246 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.033 5.857 -7.889 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.201 4.552 -7.848 1.00 0.00 H new ATOM 0 HG CYS A 86 2.313 6.768 -6.499 1.00 0.00 H new ATOM 1135 N SER A 87 0.739 3.035 -10.513 1.00 0.00 N ATOM 1136 CA SER A 87 0.086 1.775 -10.847 1.00 0.00 C ATOM 1137 C SER A 87 0.592 0.647 -9.952 1.00 0.00 C ATOM 1138 O SER A 87 1.297 -0.253 -10.407 1.00 0.00 O ATOM 1139 CB SER A 87 0.329 1.424 -12.316 1.00 0.00 C ATOM 1140 OG SER A 87 -0.650 2.018 -13.151 1.00 0.00 O ATOM 0 H SER A 87 1.754 3.022 -10.609 1.00 0.00 H new ATOM 0 HA SER A 87 -0.985 1.894 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.321 1.763 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.311 0.341 -12.442 1.00 0.00 H new ATOM 0 HG SER A 87 -0.472 1.780 -14.085 1.00 0.00 H new ATOM 1146 N VAL A 88 0.227 0.704 -8.675 1.00 0.00 N ATOM 1147 CA VAL A 88 0.642 -0.312 -7.715 1.00 0.00 C ATOM 1148 C VAL A 88 -0.175 -1.589 -7.878 1.00 0.00 C ATOM 1149 O VAL A 88 -1.402 -1.545 -7.972 1.00 0.00 O ATOM 1150 CB VAL A 88 0.501 0.193 -6.267 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.960 -0.872 -5.283 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.284 1.483 -6.074 1.00 0.00 C ATOM 0 H VAL A 88 -0.355 1.443 -8.281 1.00 0.00 H new ATOM 0 HA VAL A 88 1.691 -0.527 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.551 0.402 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.853 -0.497 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.351 -1.768 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.005 -1.116 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.173 1.825 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.338 1.304 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.902 2.245 -6.753 1.00 0.00 H new ATOM 1162 N SER A 89 0.513 -2.725 -7.911 1.00 0.00 N ATOM 1163 CA SER A 89 -0.148 -4.015 -8.066 1.00 0.00 C ATOM 1164 C SER A 89 0.198 -4.946 -6.908 1.00 0.00 C ATOM 1165 O SER A 89 1.368 -5.130 -6.572 1.00 0.00 O ATOM 1166 CB SER A 89 0.255 -4.663 -9.393 1.00 0.00 C ATOM 1167 OG SER A 89 1.664 -4.730 -9.520 1.00 0.00 O ATOM 0 H SER A 89 1.529 -2.778 -7.832 1.00 0.00 H new ATOM 0 HA SER A 89 -1.225 -3.845 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.167 -5.666 -9.454 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.161 -4.091 -10.222 1.00 0.00 H new ATOM 0 HG SER A 89 1.896 -5.149 -10.375 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.829 -5.531 -6.300 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.635 -6.440 -5.178 1.00 0.00 C ATOM 1175 C TYR A 90 -1.174 -7.830 -5.503 1.00 0.00 C ATOM 1176 O TYR A 90 -2.092 -7.980 -6.312 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.325 -5.894 -3.927 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.835 -5.933 -4.002 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.542 -7.056 -3.592 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.554 -4.845 -4.482 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.921 -7.096 -3.660 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.933 -4.875 -4.551 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.612 -6.003 -4.140 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.986 -6.038 -4.207 1.00 0.00 O ATOM 0 H TYR A 90 -1.804 -5.391 -6.566 1.00 0.00 H new ATOM 0 HA TYR A 90 0.436 -6.520 -4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.998 -6.470 -3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.004 -4.865 -3.765 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.004 -7.913 -3.213 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.025 -3.961 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.455 -7.978 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.477 -4.020 -4.925 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.333 -5.125 -4.285 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.599 -8.845 -4.867 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.021 -10.224 -5.087 1.00 0.00 C ATOM 1196 C LEU A 91 -1.386 -10.898 -3.769 1.00 0.00 C ATOM 1197 O LEU A 91 -0.522 -11.287 -2.982 1.00 0.00 O ATOM 1198 CB LEU A 91 0.088 -11.011 -5.787 1.00 0.00 C ATOM 1199 CG LEU A 91 0.039 -11.028 -7.315 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.438 -11.167 -7.893 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.859 -12.154 -7.808 1.00 0.00 C ATOM 0 H LEU A 91 0.161 -8.739 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.906 -10.211 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.049 -10.598 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.055 -12.041 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.380 -10.081 -7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.383 -11.177 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.051 -10.326 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.885 -12.098 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.882 -12.151 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.471 -13.110 -7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.869 -12.009 -7.424 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.696 -11.044 -3.521 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.205 -11.674 -2.300 1.00 0.00 C ATOM 1215 C PRO A 92 -2.932 -13.174 -2.265 1.00 0.00 C ATOM 1216 O PRO A 92 -2.504 -13.762 -3.259 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.711 -11.406 -2.363 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.005 -11.239 -3.814 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.781 -10.604 -4.414 1.00 0.00 C ATOM 0 HA PRO A 92 -2.725 -11.277 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.279 -12.233 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.978 -10.512 -1.799 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.215 -12.200 -4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.884 -10.612 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.617 -10.936 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.864 -9.517 -4.441 1.00 0.00 H new ATOM 1227 N THR A 93 -3.184 -13.790 -1.114 1.00 0.00 N ATOM 1228 CA THR A 93 -2.964 -15.222 -0.949 1.00 0.00 C ATOM 1229 C THR A 93 -4.215 -15.912 -0.416 1.00 0.00 C ATOM 1230 O THR A 93 -4.460 -17.084 -0.703 1.00 0.00 O ATOM 1231 CB THR A 93 -1.789 -15.504 0.006 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.628 -16.916 0.180 1.00 0.00 O ATOM 1233 CG2 THR A 93 -2.020 -14.845 1.357 1.00 0.00 C ATOM 0 H THR A 93 -3.541 -13.320 -0.282 1.00 0.00 H new ATOM 0 HA THR A 93 -2.724 -15.621 -1.935 1.00 0.00 H new ATOM 0 HB THR A 93 -0.883 -15.087 -0.434 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.878 -17.087 0.787 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.177 -15.058 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.114 -13.767 1.225 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.935 -15.237 1.801 1.00 0.00 H new ATOM 1241 N LYS A 94 -5.004 -15.178 0.360 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.232 -15.718 0.933 1.00 0.00 C ATOM 1243 C LYS A 94 -7.365 -14.700 0.849 1.00 0.00 C ATOM 1244 O LYS A 94 -7.156 -13.492 0.963 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.004 -16.124 2.390 1.00 0.00 C ATOM 1246 CG LYS A 94 -6.003 -14.952 3.356 1.00 0.00 C ATOM 1247 CD LYS A 94 -5.808 -15.411 4.791 1.00 0.00 C ATOM 1248 CE LYS A 94 -7.138 -15.717 5.464 1.00 0.00 C ATOM 1249 NZ LYS A 94 -7.545 -17.136 5.266 1.00 0.00 N ATOM 0 H LYS A 94 -4.815 -14.207 0.607 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.515 -16.599 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.781 -16.828 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.052 -16.648 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.209 -14.257 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.944 -14.409 3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.178 -16.300 4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.284 -14.638 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.063 -15.506 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.908 -15.059 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.152 -17.436 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.070 -17.225 4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.698 -17.739 5.232 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.594 -15.197 0.647 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.785 -14.347 0.546 1.00 0.00 C ATOM 1265 C PRO A 95 -10.156 -13.709 1.879 1.00 0.00 C ATOM 1266 O PRO A 95 -10.299 -14.396 2.890 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.878 -15.320 0.096 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.418 -16.654 0.576 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.917 -16.626 0.501 1.00 0.00 C ATOM 0 HA PRO A 95 -9.632 -13.511 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.844 -15.056 0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.997 -15.308 -0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.754 -16.839 1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.825 -17.453 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.464 -17.223 1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.555 -17.025 -0.446 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.311 -12.388 1.876 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.665 -11.679 3.091 1.00 0.00 C ATOM 1279 C GLY A 96 -10.852 -10.192 2.862 1.00 0.00 C ATOM 1280 O GLY A 96 -11.719 -9.782 2.092 1.00 0.00 O ATOM 0 H GLY A 96 -10.197 -11.797 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.585 -12.099 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.886 -11.833 3.838 1.00 0.00 H new ATOM 1284 N GLU A 97 -10.037 -9.384 3.534 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.120 -7.935 3.400 1.00 0.00 C ATOM 1286 C GLU A 97 -8.749 -7.292 3.591 1.00 0.00 C ATOM 1287 O GLU A 97 -8.111 -7.461 4.631 1.00 0.00 O ATOM 1288 CB GLU A 97 -11.110 -7.362 4.417 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.507 -7.949 4.303 1.00 0.00 C ATOM 1290 CD GLU A 97 -12.673 -9.221 5.111 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -11.898 -9.419 6.071 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -13.576 -10.019 4.785 1.00 0.00 O ATOM 0 H GLU A 97 -9.313 -9.708 4.175 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.472 -7.708 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.730 -7.542 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.167 -6.281 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -13.236 -7.211 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.725 -8.157 3.256 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.302 -6.554 2.581 1.00 0.00 N ATOM 1300 CA TYR A 98 -7.006 -5.888 2.636 1.00 0.00 C ATOM 1301 C TYR A 98 -7.170 -4.373 2.575 1.00 0.00 C ATOM 1302 O TYR A 98 -7.710 -3.833 1.609 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.117 -6.363 1.485 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.885 -7.857 1.476 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.827 -8.723 0.934 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.724 -8.404 2.010 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.620 -10.088 0.924 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.508 -9.768 2.003 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.459 -10.606 1.459 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.248 -11.966 1.451 1.00 0.00 O ATOM 0 H TYR A 98 -8.818 -6.402 1.714 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.532 -6.146 3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.573 -6.069 0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.155 -5.855 1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.737 -8.321 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.978 -7.751 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.363 -10.747 0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.600 -10.176 2.421 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.096 -12.430 1.614 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.698 -3.691 3.613 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.791 -2.237 3.680 1.00 0.00 C ATOM 1322 C PHE A 99 -5.511 -1.586 3.164 1.00 0.00 C ATOM 1323 O PHE A 99 -4.451 -1.704 3.777 1.00 0.00 O ATOM 1324 CB PHE A 99 -7.062 -1.788 5.117 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.436 -2.144 5.608 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -9.498 -1.271 5.430 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -8.666 -3.351 6.247 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -10.764 -1.596 5.880 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -9.930 -3.682 6.699 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.980 -2.802 6.516 1.00 0.00 C ATOM 0 H PHE A 99 -6.247 -4.122 4.420 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.619 -1.921 3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.321 -2.240 5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.930 -0.708 5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.334 -0.326 4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.849 -4.042 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.583 -0.907 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.097 -4.627 7.194 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.968 -3.057 6.870 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.620 -0.898 2.031 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.472 -0.227 1.432 1.00 0.00 C ATOM 1342 C VAL A 100 -4.264 1.155 2.041 1.00 0.00 C ATOM 1343 O VAL A 100 -5.020 2.085 1.766 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.639 -0.085 -0.093 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.391 0.526 -0.711 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.951 -1.434 -0.722 1.00 0.00 C ATOM 0 H VAL A 100 -6.491 -0.791 1.510 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.599 -0.846 1.639 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.477 0.584 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.527 0.619 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.217 1.512 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.533 -0.115 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.066 -1.315 -1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.135 -2.128 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.876 -1.827 -0.300 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.233 1.281 2.869 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.924 2.550 3.518 1.00 0.00 C ATOM 1358 C ASN A 101 -2.172 3.478 2.569 1.00 0.00 C ATOM 1359 O ASN A 101 -1.026 3.213 2.205 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.094 2.313 4.781 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.867 1.560 5.848 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.337 2.149 6.821 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -3.001 0.252 5.668 1.00 0.00 N ATOM 0 H ASN A 101 -2.597 0.520 3.107 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.865 3.026 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.196 1.752 4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.766 3.272 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.511 -0.307 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.594 -0.194 4.846 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.824 4.565 2.172 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.216 5.532 1.267 1.00 0.00 C ATOM 1372 C ILE A 102 -1.968 6.863 1.969 1.00 0.00 C ATOM 1373 O ILE A 102 -2.908 7.583 2.309 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.098 5.775 0.028 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.369 4.457 -0.699 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.434 6.775 -0.907 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.359 4.585 -1.836 1.00 0.00 C ATOM 0 H ILE A 102 -3.773 4.798 2.463 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.263 5.109 0.948 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.051 6.190 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.429 4.067 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.744 3.727 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.069 6.936 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.288 7.720 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.468 6.386 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.502 3.612 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.312 4.945 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.977 5.291 -2.574 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.697 7.184 2.184 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.324 8.430 2.845 1.00 0.00 C ATOM 1391 C LEU A 103 0.779 9.147 2.073 1.00 0.00 C ATOM 1392 O LEU A 103 1.802 8.551 1.735 1.00 0.00 O ATOM 1393 CB LEU A 103 0.137 8.153 4.277 1.00 0.00 C ATOM 1394 CG LEU A 103 0.789 6.792 4.520 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.277 6.850 4.207 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.562 6.340 5.955 1.00 0.00 C ATOM 0 H LEU A 103 0.093 6.599 1.910 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.202 9.075 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.845 8.930 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.724 8.244 4.939 1.00 0.00 H new ATOM 0 HG LEU A 103 0.326 6.064 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.725 5.872 4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.419 7.129 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.755 7.591 4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.033 5.369 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.998 7.068 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.508 6.258 6.146 1.00 0.00 H new ATOM 1408 N PHE A 104 0.565 10.430 1.799 1.00 0.00 N ATOM 1409 CA PHE A 104 1.542 11.229 1.069 1.00 0.00 C ATOM 1410 C PHE A 104 2.324 12.133 2.017 1.00 0.00 C ATOM 1411 O PHE A 104 1.780 13.091 2.566 1.00 0.00 O ATOM 1412 CB PHE A 104 0.845 12.073 0.000 1.00 0.00 C ATOM 1413 CG PHE A 104 1.754 12.492 -1.120 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.476 11.549 -1.834 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.887 13.829 -1.459 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.313 11.931 -2.865 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.722 14.217 -2.489 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.437 13.267 -3.193 1.00 0.00 C ATOM 0 H PHE A 104 -0.276 10.938 2.072 1.00 0.00 H new ATOM 0 HA PHE A 104 2.242 10.548 0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.011 11.506 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.424 12.963 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.383 10.503 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.332 14.576 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.870 11.186 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.816 15.262 -2.744 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.091 13.568 -3.998 1.00 0.00 H new ATOM 1428 N GLU A 105 3.602 11.820 2.205 1.00 0.00 N ATOM 1429 CA GLU A 105 4.458 12.603 3.088 1.00 0.00 C ATOM 1430 C GLU A 105 3.944 12.559 4.524 1.00 0.00 C ATOM 1431 O GLU A 105 3.873 13.584 5.200 1.00 0.00 O ATOM 1432 CB GLU A 105 4.534 14.054 2.606 1.00 0.00 C ATOM 1433 CG GLU A 105 5.364 14.234 1.346 1.00 0.00 C ATOM 1434 CD GLU A 105 6.831 14.478 1.644 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.421 13.685 2.407 1.00 0.00 O ATOM 1436 OE2 GLU A 105 7.388 15.462 1.113 1.00 0.00 O ATOM 0 H GLU A 105 4.067 11.030 1.758 1.00 0.00 H new ATOM 0 HA GLU A 105 5.457 12.167 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.524 14.420 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.956 14.670 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.267 13.346 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.969 15.072 0.772 1.00 0.00 H new ATOM 1443 N GLU A 106 3.586 11.363 4.981 1.00 0.00 N ATOM 1444 CA GLU A 106 3.077 11.185 6.336 1.00 0.00 C ATOM 1445 C GLU A 106 1.702 11.827 6.489 1.00 0.00 C ATOM 1446 O GLU A 106 1.342 12.303 7.567 1.00 0.00 O ATOM 1447 CB GLU A 106 4.049 11.787 7.353 1.00 0.00 C ATOM 1448 CG GLU A 106 5.506 11.458 7.072 1.00 0.00 C ATOM 1449 CD GLU A 106 6.411 11.763 8.250 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.287 11.079 9.287 1.00 0.00 O ATOM 1451 OE2 GLU A 106 7.244 12.686 8.134 1.00 0.00 O ATOM 0 H GLU A 106 3.639 10.504 4.434 1.00 0.00 H new ATOM 0 HA GLU A 106 2.983 10.115 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.925 12.870 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.789 11.427 8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.593 10.402 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.842 12.026 6.204 1.00 0.00 H new ATOM 1458 N VAL A 107 0.935 11.838 5.403 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.401 12.421 5.415 1.00 0.00 C ATOM 1460 C VAL A 107 -1.414 11.486 4.765 1.00 0.00 C ATOM 1461 O VAL A 107 -1.391 11.274 3.552 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.428 13.777 4.686 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.755 14.483 4.922 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.736 14.647 5.136 1.00 0.00 C ATOM 0 H VAL A 107 1.217 11.449 4.503 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.671 12.574 6.460 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.324 13.597 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.756 15.440 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.569 13.863 4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.892 14.653 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.701 15.601 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.666 14.821 6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.676 14.143 4.910 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.305 10.928 5.579 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.329 10.016 5.083 1.00 0.00 C ATOM 1476 C HIS A 108 -4.266 10.727 4.111 1.00 0.00 C ATOM 1477 O HIS A 108 -4.962 11.672 4.485 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.129 9.432 6.247 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.567 8.149 6.777 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.158 6.922 6.563 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.458 7.906 7.514 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.439 5.981 7.147 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.401 6.552 7.731 1.00 0.00 N ATOM 0 H HIS A 108 -2.338 11.092 6.585 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.831 9.205 4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.166 10.163 7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.156 9.263 5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.749 8.641 7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.662 4.924 7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.675 6.066 8.258 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.278 10.268 2.865 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.130 10.861 1.841 1.00 0.00 C ATOM 1494 C ILE A 109 -6.605 10.663 2.171 1.00 0.00 C ATOM 1495 O ILE A 109 -6.995 9.700 2.833 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.841 10.262 0.452 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.222 8.780 0.422 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.374 10.444 0.091 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.588 8.278 -0.957 1.00 0.00 C ATOM 0 H ILE A 109 -3.708 9.487 2.539 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.905 11.927 1.822 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.445 10.789 -0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.388 8.191 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.064 8.616 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.186 10.015 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.132 11.507 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.752 9.940 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.847 7.221 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.441 8.841 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.740 8.410 -1.629 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.447 11.594 1.699 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.894 11.542 1.930 1.00 0.00 C ATOM 1513 C PRO A 110 -9.563 10.407 1.162 1.00 0.00 C ATOM 1514 O PRO A 110 -10.093 10.611 0.071 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.384 12.898 1.414 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.364 13.312 0.410 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.052 12.768 0.903 1.00 0.00 C ATOM 0 HA PRO A 110 -9.133 11.357 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.373 12.816 0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.461 13.625 2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.605 12.916 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.326 14.397 0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.396 12.492 0.078 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.515 13.500 1.506 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.536 9.210 1.741 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.143 8.061 1.097 1.00 0.00 C ATOM 1527 C GLY A 111 -9.478 6.757 1.491 1.00 0.00 C ATOM 1528 O GLY A 111 -9.999 5.677 1.211 1.00 0.00 O ATOM 0 H GLY A 111 -9.104 9.016 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.201 8.019 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.086 8.182 0.015 1.00 0.00 H new ATOM 1532 N SER A 112 -8.323 6.856 2.140 1.00 0.00 N ATOM 1533 CA SER A 112 -7.582 5.675 2.568 1.00 0.00 C ATOM 1534 C SER A 112 -7.737 5.451 4.069 1.00 0.00 C ATOM 1535 O SER A 112 -7.998 6.377 4.837 1.00 0.00 O ATOM 1536 CB SER A 112 -6.101 5.819 2.213 1.00 0.00 C ATOM 1537 OG SER A 112 -5.372 6.388 3.286 1.00 0.00 O ATOM 0 H SER A 112 -7.879 7.742 2.381 1.00 0.00 H new ATOM 0 HA SER A 112 -7.991 4.811 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.687 4.842 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.996 6.444 1.326 1.00 0.00 H new ATOM 0 HG SER A 112 -4.552 6.800 2.942 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.574 4.190 4.498 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.264 3.080 3.592 1.00 0.00 C ATOM 1545 C PRO A 113 -8.439 2.724 2.689 1.00 0.00 C ATOM 1546 O PRO A 113 -9.544 3.240 2.858 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.951 1.923 4.544 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.688 2.252 5.796 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.679 3.752 5.900 1.00 0.00 C ATOM 0 HA PRO A 113 -6.447 3.324 2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.280 0.970 4.130 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.880 1.839 4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.708 1.869 5.760 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.207 1.798 6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.587 4.128 6.371 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.839 4.109 6.496 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.195 1.837 1.729 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.233 1.412 0.798 1.00 0.00 C ATOM 1559 C PHE A 114 -9.548 -0.071 0.974 1.00 0.00 C ATOM 1560 O PHE A 114 -8.824 -0.934 0.479 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.799 1.685 -0.643 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.829 3.141 -1.013 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.866 4.012 -0.529 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -9.821 3.638 -1.843 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -7.891 5.352 -0.868 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -9.850 4.977 -2.185 1.00 0.00 C ATOM 1567 CZ PHE A 114 -8.885 5.835 -1.696 1.00 0.00 C ATOM 0 H PHE A 114 -7.287 1.399 1.576 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.135 1.985 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.789 1.302 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.450 1.133 -1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.087 3.640 0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.580 2.972 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.134 6.020 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.627 5.352 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 114 -8.908 6.882 -1.961 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.633 -0.359 1.685 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.046 -1.736 1.928 1.00 0.00 C ATOM 1579 C LYS A 115 -11.261 -2.479 0.613 1.00 0.00 C ATOM 1580 O LYS A 115 -12.130 -2.118 -0.180 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.331 -1.766 2.759 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.772 -3.167 3.145 1.00 0.00 C ATOM 1583 CD LYS A 115 -14.269 -3.230 3.398 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.641 -2.560 4.712 1.00 0.00 C ATOM 1585 NZ LYS A 115 -16.070 -2.786 5.065 1.00 0.00 N ATOM 0 H LYS A 115 -11.243 0.344 2.103 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.251 -2.235 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.182 -1.178 3.665 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.130 -1.285 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.507 -3.865 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.237 -3.484 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.798 -2.744 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.593 -4.271 3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.005 -2.945 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.450 -1.489 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.284 -2.314 5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.678 -2.396 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.247 -3.807 5.158 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.465 -3.520 0.389 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.571 -4.315 -0.827 1.00 0.00 C ATOM 1601 C ALA A 116 -11.046 -5.731 -0.518 1.00 0.00 C ATOM 1602 O ALA A 116 -10.281 -6.558 -0.021 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.234 -4.352 -1.553 1.00 0.00 C ATOM 0 H ALA A 116 -9.740 -3.832 1.035 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.311 -3.845 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.329 -4.950 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.935 -3.338 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.479 -4.795 -0.903 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.312 -6.003 -0.814 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.889 -7.320 -0.567 1.00 0.00 C ATOM 1611 C ASP A 117 -12.416 -8.324 -1.613 1.00 0.00 C ATOM 1612 O ASP A 117 -12.779 -8.230 -2.786 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.416 -7.240 -0.572 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.062 -8.471 0.032 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.382 -9.181 0.803 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -16.248 -8.725 -0.265 1.00 0.00 O ATOM 0 H ASP A 117 -12.958 -5.330 -1.225 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.554 -7.659 0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.733 -6.357 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.767 -7.115 -1.596 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.606 -9.284 -1.181 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.084 -10.306 -2.080 1.00 0.00 C ATOM 1623 C ILE A 118 -11.988 -11.534 -2.100 1.00 0.00 C ATOM 1624 O ILE A 118 -12.477 -11.973 -1.059 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.661 -10.736 -1.678 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.698 -9.551 -1.784 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.189 -11.888 -2.552 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.624 -8.954 -3.171 1.00 0.00 C ATOM 0 H ILE A 118 -11.297 -9.376 -0.213 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.053 -9.864 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.679 -11.075 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.008 -8.778 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.702 -9.875 -1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.182 -12.181 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.863 -12.736 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.183 -11.574 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.923 -8.119 -3.171 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.285 -9.713 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.611 -8.599 -3.467 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.203 -12.084 -3.290 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.047 -13.263 -3.445 1.00 0.00 C ATOM 1642 C GLU A 119 -12.273 -14.405 -4.096 1.00 0.00 C ATOM 1643 O GLU A 119 -11.287 -14.180 -4.797 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.283 -12.927 -4.282 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.100 -11.773 -3.726 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.286 -11.422 -4.603 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -17.322 -12.112 -4.503 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -16.178 -10.458 -5.389 1.00 0.00 O ATOM 0 H GLU A 119 -11.805 -11.733 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.365 -13.583 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.969 -12.683 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.917 -13.811 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.455 -12.031 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.460 -10.897 -3.620 1.00 0.00 H new ATOM 1655 N MET A 120 -12.727 -15.632 -3.859 1.00 0.00 N ATOM 1656 CA MET A 120 -12.078 -16.809 -4.423 1.00 0.00 C ATOM 1657 C MET A 120 -12.417 -16.961 -5.902 1.00 0.00 C ATOM 1658 O MET A 120 -13.575 -16.868 -6.311 1.00 0.00 O ATOM 1659 CB MET A 120 -12.500 -18.066 -3.659 1.00 0.00 C ATOM 1660 CG MET A 120 -11.860 -18.186 -2.285 1.00 0.00 C ATOM 1661 SD MET A 120 -11.732 -19.895 -1.726 1.00 0.00 S ATOM 1662 CE MET A 120 -10.065 -19.913 -1.071 1.00 0.00 C ATOM 0 H MET A 120 -13.542 -15.836 -3.280 1.00 0.00 H new ATOM 0 HA MET A 120 -11.000 -16.679 -4.327 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.584 -18.066 -3.547 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.240 -18.945 -4.250 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.865 -17.741 -2.312 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.446 -17.615 -1.565 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.661 -20.923 -1.132 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.439 -19.236 -1.652 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.080 -19.591 -0.030 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.386 -17.200 -6.726 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.550 -17.370 -8.172 1.00 0.00 C ATOM 1674 C PRO A 121 -12.261 -18.672 -8.526 1.00 0.00 C ATOM 1675 O PRO A 121 -12.344 -19.588 -7.707 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.111 -17.388 -8.693 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.295 -17.854 -7.537 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.979 -17.324 -6.308 1.00 0.00 C ATOM 0 HA PRO A 121 -12.166 -16.583 -8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.007 -18.058 -9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.798 -16.398 -9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.238 -18.942 -7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.273 -17.482 -7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.869 -18.004 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.565 -16.364 -6.001 1.00 0.00 H new