USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 854 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 132 ASN : amide:sc= -7.24! C(o=-7!,f=-6.5!) USER MOD Set 1.2: A 134 THR OG1 : rot 3:sc= 0.202 USER MOD Set 2.1: A 79 MET CE :methyl 137:sc= -1.69 (180deg=-3.72!) USER MOD Set 2.2: A 117 GLN : amide:sc= -3.26! K(o=-6.2!,f=-3.8) USER MOD Set 2.3: A 118 ASN : amide:sc= -1.29 K(o=-6.2,f=-3.8) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.0327 K(o=-0.094,f=-3.9!) USER MOD Set 3.2: A 58 SER OG : rot 112:sc= -0.127 USER MOD Single : A 33 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.15) USER MOD Single : A 36 THR OG1 : rot 120:sc= -0.0436 USER MOD Single : A 37 SER OG : rot 180:sc= -0.362 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= 0.313 (180deg=-1.26) USER MOD Single : A 59 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.37) USER MOD Single : A 62 GLN : amide:sc= -0.923 K(o=-0.92,f=-1.8) USER MOD Single : A 63 SER OG : rot 29:sc= 0.24 USER MOD Single : A 64 MET CE :methyl 156:sc= -2.2 (180deg=-3.56!) USER MOD Single : A 66 ASN : amide:sc= -2.2! K(o=-2.2!,f=-1.4) USER MOD Single : A 68 GLN : amide:sc= -4.3! C(o=-4.3!,f=-7.4!) USER MOD Single : A 72 GLN : amide:sc= 0.0041 X(o=0.0041,f=0) USER MOD Single : A 73 ASN : amide:sc= -2.52! C(o=-2.5!,f=-15!) USER MOD Single : A 80 THR OG1 : rot 140:sc= -1.13 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 27:sc= -0.639 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -2.68 K(o=-2.7,f=-0.95) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 13:sc= 1 USER MOD Single : A 106 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-5.7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -17:sc= 0.168 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= 0.0165 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0042 USER MOD Single : A 128 THR OG1 : rot 130:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= -1.54 USER MOD Single : A 140 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -5.997 5.263 8.057 1.00 0.00 N ATOM 440 CA HIS A 33 -5.299 5.245 9.331 1.00 0.00 C ATOM 441 C HIS A 33 -4.338 4.056 9.373 1.00 0.00 C ATOM 442 O HIS A 33 -4.593 3.070 10.064 1.00 0.00 O ATOM 443 CB HIS A 33 -6.293 5.246 10.495 1.00 0.00 C ATOM 444 CG HIS A 33 -6.953 6.582 10.738 1.00 0.00 C ATOM 445 ND1 HIS A 33 -6.235 7.752 10.915 1.00 0.00 N ATOM 446 CD2 HIS A 33 -8.271 6.921 10.831 1.00 0.00 C ATOM 447 CE1 HIS A 33 -7.092 8.744 11.105 1.00 0.00 C ATOM 448 NE2 HIS A 33 -8.354 8.227 11.054 1.00 0.00 N ATOM 0 HA HIS A 33 -4.704 6.152 9.437 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.065 4.501 10.301 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.774 4.938 11.403 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.106 6.242 10.739 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.837 9.780 11.271 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.218 8.757 11.168 1.00 0.00 H new ATOM 456 N ALA A 34 -3.252 4.187 8.625 1.00 0.00 N ATOM 457 CA ALA A 34 -2.251 3.135 8.568 1.00 0.00 C ATOM 458 C ALA A 34 -1.055 3.527 9.438 1.00 0.00 C ATOM 459 O ALA A 34 -0.931 4.681 9.845 1.00 0.00 O ATOM 460 CB ALA A 34 -1.855 2.885 7.111 1.00 0.00 C ATOM 0 H ALA A 34 -3.043 5.006 8.053 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.653 2.201 8.961 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.104 2.096 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.734 2.581 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.445 3.800 6.683 1.00 0.00 H new ATOM 466 N ARG A 35 -0.206 2.544 9.698 1.00 0.00 N ATOM 467 CA ARG A 35 0.976 2.772 10.513 1.00 0.00 C ATOM 468 C ARG A 35 2.009 1.671 10.268 1.00 0.00 C ATOM 469 O ARG A 35 1.814 0.529 10.681 1.00 0.00 O ATOM 470 CB ARG A 35 0.621 2.807 12.001 1.00 0.00 C ATOM 471 CG ARG A 35 0.845 4.204 12.585 1.00 0.00 C ATOM 472 CD ARG A 35 -0.461 5.001 12.614 1.00 0.00 C ATOM 473 NE ARG A 35 -0.750 5.447 13.996 1.00 0.00 N ATOM 474 CZ ARG A 35 -1.280 4.662 14.943 1.00 0.00 C ATOM 475 NH1 ARG A 35 -1.583 3.386 14.664 1.00 0.00 N ATOM 476 NH2 ARG A 35 -1.509 5.152 16.169 1.00 0.00 N ATOM 0 H ARG A 35 -0.313 1.588 9.359 1.00 0.00 H new ATOM 0 HA ARG A 35 1.394 3.738 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.420 2.515 12.137 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.229 2.081 12.541 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.247 4.120 13.595 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.587 4.736 11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.385 5.864 11.953 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.281 4.386 12.242 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.532 6.412 14.242 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.410 3.013 13.731 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.987 2.788 15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.280 6.123 16.381 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.913 4.554 16.890 1.00 0.00 H new ATOM 490 N THR A 36 3.086 2.053 9.598 1.00 0.00 N ATOM 491 CA THR A 36 4.151 1.112 9.293 1.00 0.00 C ATOM 492 C THR A 36 5.138 1.028 10.459 1.00 0.00 C ATOM 493 O THR A 36 5.360 2.013 11.162 1.00 0.00 O ATOM 494 CB THR A 36 4.801 1.543 7.977 1.00 0.00 C ATOM 495 OG1 THR A 36 4.124 0.773 6.987 1.00 0.00 O ATOM 496 CG2 THR A 36 6.259 1.092 7.868 1.00 0.00 C ATOM 0 H THR A 36 3.244 3.001 9.258 1.00 0.00 H new ATOM 0 HA THR A 36 3.761 0.102 9.164 1.00 0.00 H new ATOM 0 HB THR A 36 4.750 2.628 7.885 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.680 1.374 6.353 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.672 1.424 6.915 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.836 1.526 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.309 0.005 7.926 1.00 0.00 H new ATOM 504 N SER A 37 5.705 -0.158 10.629 1.00 0.00 N ATOM 505 CA SER A 37 6.663 -0.383 11.697 1.00 0.00 C ATOM 506 C SER A 37 7.571 -1.563 11.345 1.00 0.00 C ATOM 507 O SER A 37 7.342 -2.684 11.797 1.00 0.00 O ATOM 508 CB SER A 37 5.954 -0.638 13.029 1.00 0.00 C ATOM 509 OG SER A 37 4.892 0.285 13.253 1.00 0.00 O ATOM 0 H SER A 37 5.519 -0.973 10.044 1.00 0.00 H new ATOM 0 HA SER A 37 7.271 0.515 11.806 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.560 -1.654 13.041 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.675 -0.566 13.843 1.00 0.00 H new ATOM 0 HG SER A 37 4.464 0.088 14.112 1.00 0.00 H new ATOM 515 N GLY A 38 8.584 -1.270 10.543 1.00 0.00 N ATOM 516 CA GLY A 38 9.528 -2.293 10.125 1.00 0.00 C ATOM 517 C GLY A 38 10.226 -1.895 8.823 1.00 0.00 C ATOM 518 O GLY A 38 10.602 -0.738 8.644 1.00 0.00 O ATOM 0 H GLY A 38 8.772 -0.339 10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.271 -2.449 10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.006 -3.240 9.987 1.00 0.00 H new ATOM 522 N ARG A 39 10.378 -2.878 7.947 1.00 0.00 N ATOM 523 CA ARG A 39 11.025 -2.645 6.667 1.00 0.00 C ATOM 524 C ARG A 39 9.978 -2.533 5.556 1.00 0.00 C ATOM 525 O ARG A 39 10.112 -1.708 4.654 1.00 0.00 O ATOM 526 CB ARG A 39 11.998 -3.776 6.328 1.00 0.00 C ATOM 527 CG ARG A 39 13.302 -3.631 7.114 1.00 0.00 C ATOM 528 CD ARG A 39 14.418 -4.468 6.484 1.00 0.00 C ATOM 529 NE ARG A 39 14.696 -5.655 7.323 1.00 0.00 N ATOM 530 CZ ARG A 39 15.776 -6.435 7.185 1.00 0.00 C ATOM 531 NH1 ARG A 39 16.687 -6.159 6.242 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.946 -7.492 7.992 1.00 0.00 N ATOM 0 H ARG A 39 10.064 -3.837 8.099 1.00 0.00 H new ATOM 0 HA ARG A 39 11.582 -1.711 6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.537 -4.737 6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.211 -3.769 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.600 -2.583 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.146 -3.945 8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.127 -4.781 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.321 -3.866 6.380 1.00 0.00 H new ATOM 0 HE ARG A 39 14.023 -5.894 8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.558 -5.354 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.509 -6.754 6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.253 -7.702 8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.768 -8.086 7.887 1.00 0.00 H new ATOM 546 N VAL A 40 8.959 -3.373 5.660 1.00 0.00 N ATOM 547 CA VAL A 40 7.890 -3.378 4.676 1.00 0.00 C ATOM 548 C VAL A 40 6.802 -2.393 5.106 1.00 0.00 C ATOM 549 O VAL A 40 6.677 -2.078 6.289 1.00 0.00 O ATOM 550 CB VAL A 40 7.364 -4.802 4.481 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.191 -4.824 3.500 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.481 -5.741 4.022 1.00 0.00 C ATOM 0 H VAL A 40 8.851 -4.055 6.411 1.00 0.00 H new ATOM 0 HA VAL A 40 8.263 -3.048 3.706 1.00 0.00 H new ATOM 0 HB VAL A 40 7.001 -5.160 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.837 -5.848 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.382 -4.203 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.517 -4.437 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.080 -6.746 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.888 -5.386 3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.271 -5.760 4.772 1.00 0.00 H new ATOM 562 N ALA A 41 6.043 -1.932 4.123 1.00 0.00 N ATOM 563 CA ALA A 41 4.969 -0.989 4.385 1.00 0.00 C ATOM 564 C ALA A 41 3.806 -1.269 3.432 1.00 0.00 C ATOM 565 O ALA A 41 4.015 -1.502 2.242 1.00 0.00 O ATOM 566 CB ALA A 41 5.501 0.440 4.252 1.00 0.00 C ATOM 0 H ALA A 41 6.151 -2.194 3.143 1.00 0.00 H new ATOM 0 HA ALA A 41 4.596 -1.105 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.696 1.148 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.305 0.597 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.881 0.594 3.242 1.00 0.00 H new ATOM 572 N VAL A 42 2.604 -1.237 3.990 1.00 0.00 N ATOM 573 CA VAL A 42 1.407 -1.485 3.204 1.00 0.00 C ATOM 574 C VAL A 42 1.252 -0.380 2.158 1.00 0.00 C ATOM 575 O VAL A 42 0.576 0.619 2.400 1.00 0.00 O ATOM 576 CB VAL A 42 0.193 -1.610 4.127 1.00 0.00 C ATOM 577 CG1 VAL A 42 -1.069 -1.943 3.328 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.440 -2.651 5.221 1.00 0.00 C ATOM 0 H VAL A 42 2.434 -1.043 4.977 1.00 0.00 H new ATOM 0 HA VAL A 42 1.490 -2.430 2.668 1.00 0.00 H new ATOM 0 HB VAL A 42 0.039 -0.646 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.918 -2.027 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.260 -1.152 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.929 -2.888 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.438 -2.720 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.632 -3.621 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.303 -2.354 5.817 1.00 0.00 H new ATOM 588 N GLU A 43 1.889 -0.596 1.017 1.00 0.00 N ATOM 589 CA GLU A 43 1.830 0.370 -0.068 1.00 0.00 C ATOM 590 C GLU A 43 0.421 0.954 -0.182 1.00 0.00 C ATOM 591 O GLU A 43 0.235 2.164 -0.058 1.00 0.00 O ATOM 592 CB GLU A 43 2.270 -0.263 -1.390 1.00 0.00 C ATOM 593 CG GLU A 43 2.647 0.810 -2.413 1.00 0.00 C ATOM 594 CD GLU A 43 1.436 1.672 -2.775 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.357 1.076 -2.981 1.00 0.00 O ATOM 596 OE2 GLU A 43 1.617 2.907 -2.839 1.00 0.00 O ATOM 0 H GLU A 43 2.449 -1.426 0.820 1.00 0.00 H new ATOM 0 HA GLU A 43 2.522 1.182 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.122 -0.921 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.465 -0.882 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.439 1.441 -2.009 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.043 0.337 -3.312 1.00 0.00 H new ATOM 603 N GLU A 44 -0.536 0.068 -0.416 1.00 0.00 N ATOM 604 CA GLU A 44 -1.922 0.481 -0.548 1.00 0.00 C ATOM 605 C GLU A 44 -2.840 -0.743 -0.587 1.00 0.00 C ATOM 606 O GLU A 44 -2.549 -1.719 -1.277 1.00 0.00 O ATOM 607 CB GLU A 44 -2.119 1.353 -1.790 1.00 0.00 C ATOM 608 CG GLU A 44 -3.581 1.780 -1.934 1.00 0.00 C ATOM 609 CD GLU A 44 -3.791 3.203 -1.411 1.00 0.00 C ATOM 610 OE1 GLU A 44 -3.652 3.381 -0.182 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.086 4.079 -2.252 1.00 0.00 O ATOM 0 H GLU A 44 -0.378 -0.935 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.186 1.081 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.483 2.236 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.808 0.803 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.878 1.726 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.221 1.089 -1.385 1.00 0.00 H new ATOM 618 N VAL A 45 -3.928 -0.651 0.162 1.00 0.00 N ATOM 619 CA VAL A 45 -4.890 -1.738 0.222 1.00 0.00 C ATOM 620 C VAL A 45 -6.263 -1.224 -0.212 1.00 0.00 C ATOM 621 O VAL A 45 -6.837 -0.350 0.437 1.00 0.00 O ATOM 622 CB VAL A 45 -4.898 -2.353 1.623 1.00 0.00 C ATOM 623 CG1 VAL A 45 -6.187 -3.139 1.870 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.667 -3.237 1.841 1.00 0.00 C ATOM 0 H VAL A 45 -4.165 0.160 0.733 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.609 -2.534 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.859 -1.538 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.167 -3.566 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.044 -2.472 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.270 -3.941 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.697 -3.662 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.662 -4.042 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.764 -2.637 1.728 1.00 0.00 H new ATOM 634 N ASP A 46 -6.751 -1.787 -1.308 1.00 0.00 N ATOM 635 CA ASP A 46 -8.047 -1.396 -1.837 1.00 0.00 C ATOM 636 C ASP A 46 -9.087 -1.446 -0.716 1.00 0.00 C ATOM 637 O ASP A 46 -9.476 -2.525 -0.272 1.00 0.00 O ATOM 638 CB ASP A 46 -8.500 -2.350 -2.944 1.00 0.00 C ATOM 639 CG ASP A 46 -9.237 -1.684 -4.109 1.00 0.00 C ATOM 640 OD1 ASP A 46 -8.675 -0.708 -4.652 1.00 0.00 O ATOM 641 OD2 ASP A 46 -10.344 -2.167 -4.430 1.00 0.00 O ATOM 0 H ASP A 46 -6.272 -2.511 -1.844 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.955 -0.389 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.626 -2.869 -3.336 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.151 -3.107 -2.507 1.00 0.00 H new ATOM 646 N GLU A 47 -9.507 -0.264 -0.289 1.00 0.00 N ATOM 647 CA GLU A 47 -10.494 -0.158 0.772 1.00 0.00 C ATOM 648 C GLU A 47 -11.763 -0.926 0.395 1.00 0.00 C ATOM 649 O GLU A 47 -12.454 -1.454 1.264 1.00 0.00 O ATOM 650 CB GLU A 47 -10.811 1.306 1.083 1.00 0.00 C ATOM 651 CG GLU A 47 -11.239 2.054 -0.181 1.00 0.00 C ATOM 652 CD GLU A 47 -11.913 3.382 0.170 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.352 4.093 1.031 1.00 0.00 O ATOM 654 OE2 GLU A 47 -12.974 3.657 -0.432 1.00 0.00 O ATOM 0 H GLU A 47 -9.181 0.629 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.077 -0.604 1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.605 1.360 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.934 1.788 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.369 2.239 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.925 1.435 -0.759 1.00 0.00 H new ATOM 661 N GLU A 48 -12.029 -0.964 -0.902 1.00 0.00 N ATOM 662 CA GLU A 48 -13.202 -1.659 -1.405 1.00 0.00 C ATOM 663 C GLU A 48 -13.065 -3.166 -1.178 1.00 0.00 C ATOM 664 O GLU A 48 -14.064 -3.874 -1.068 1.00 0.00 O ATOM 665 CB GLU A 48 -13.433 -1.346 -2.885 1.00 0.00 C ATOM 666 CG GLU A 48 -14.682 -0.483 -3.075 1.00 0.00 C ATOM 667 CD GLU A 48 -15.954 -1.316 -2.908 1.00 0.00 C ATOM 668 OE1 GLU A 48 -16.020 -2.385 -3.552 1.00 0.00 O ATOM 669 OE2 GLU A 48 -16.832 -0.864 -2.141 1.00 0.00 O ATOM 0 H GLU A 48 -11.453 -0.525 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.073 -1.306 -0.853 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.564 -0.828 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.540 -2.275 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.679 0.332 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.668 -0.029 -4.066 1.00 0.00 H new ATOM 676 N GLY A 49 -11.819 -3.611 -1.116 1.00 0.00 N ATOM 677 CA GLY A 49 -11.537 -5.021 -0.905 1.00 0.00 C ATOM 678 C GLY A 49 -11.424 -5.763 -2.238 1.00 0.00 C ATOM 679 O GLY A 49 -12.376 -6.405 -2.678 1.00 0.00 O ATOM 0 H GLY A 49 -10.993 -3.020 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.609 -5.130 -0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.328 -5.467 -0.302 1.00 0.00 H new ATOM 683 N LYS A 50 -10.250 -5.651 -2.842 1.00 0.00 N ATOM 684 CA LYS A 50 -9.999 -6.303 -4.116 1.00 0.00 C ATOM 685 C LYS A 50 -8.584 -6.885 -4.116 1.00 0.00 C ATOM 686 O LYS A 50 -8.389 -8.053 -4.450 1.00 0.00 O ATOM 687 CB LYS A 50 -10.268 -5.340 -5.274 1.00 0.00 C ATOM 688 CG LYS A 50 -11.753 -5.327 -5.643 1.00 0.00 C ATOM 689 CD LYS A 50 -11.962 -5.771 -7.092 1.00 0.00 C ATOM 690 CE LYS A 50 -11.967 -4.568 -8.038 1.00 0.00 C ATOM 691 NZ LYS A 50 -12.052 -5.017 -9.446 1.00 0.00 N ATOM 0 H LYS A 50 -9.462 -5.119 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.687 -7.136 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.950 -4.335 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.677 -5.634 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.303 -5.988 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.157 -4.324 -5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.171 -6.463 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.905 -6.310 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.811 -3.918 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.062 -3.979 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.054 -4.189 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.233 -5.618 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.928 -5.560 -9.585 1.00 0.00 H new ATOM 705 N PHE A 51 -7.633 -6.044 -3.738 1.00 0.00 N ATOM 706 CA PHE A 51 -6.242 -6.460 -3.690 1.00 0.00 C ATOM 707 C PHE A 51 -5.488 -5.726 -2.579 1.00 0.00 C ATOM 708 O PHE A 51 -5.904 -4.653 -2.146 1.00 0.00 O ATOM 709 CB PHE A 51 -5.619 -6.095 -5.040 1.00 0.00 C ATOM 710 CG PHE A 51 -5.521 -4.590 -5.293 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.422 -3.901 -4.884 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.533 -3.940 -5.928 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.331 -2.504 -5.119 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.442 -2.542 -6.164 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.343 -1.854 -5.754 1.00 0.00 C ATOM 0 H PHE A 51 -7.798 -5.076 -3.462 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.180 -7.530 -3.489 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.620 -6.528 -5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.209 -6.549 -5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.618 -4.417 -4.380 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.406 -4.487 -6.253 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.458 -1.957 -4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.245 -2.026 -6.669 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.274 -0.791 -5.933 1.00 0.00 H new ATOM 725 N VAL A 52 -4.392 -6.334 -2.150 1.00 0.00 N ATOM 726 CA VAL A 52 -3.576 -5.752 -1.098 1.00 0.00 C ATOM 727 C VAL A 52 -2.163 -5.505 -1.632 1.00 0.00 C ATOM 728 O VAL A 52 -1.411 -6.449 -1.868 1.00 0.00 O ATOM 729 CB VAL A 52 -3.598 -6.652 0.139 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.542 -6.212 1.155 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.990 -6.679 0.773 1.00 0.00 C ATOM 0 H VAL A 52 -4.050 -7.224 -2.512 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.981 -4.788 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.355 -7.666 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.578 -6.868 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.553 -6.268 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.741 -5.186 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.978 -7.326 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.274 -5.670 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.711 -7.061 0.051 1.00 0.00 H new ATOM 741 N ARG A 53 -1.846 -4.230 -1.807 1.00 0.00 N ATOM 742 CA ARG A 53 -0.538 -3.847 -2.309 1.00 0.00 C ATOM 743 C ARG A 53 0.433 -3.629 -1.146 1.00 0.00 C ATOM 744 O ARG A 53 0.146 -2.864 -0.227 1.00 0.00 O ATOM 745 CB ARG A 53 -0.621 -2.566 -3.141 1.00 0.00 C ATOM 746 CG ARG A 53 -0.008 -2.772 -4.528 1.00 0.00 C ATOM 747 CD ARG A 53 0.771 -1.533 -4.973 1.00 0.00 C ATOM 748 NE ARG A 53 1.163 -1.665 -6.394 1.00 0.00 N ATOM 749 CZ ARG A 53 0.383 -1.310 -7.425 1.00 0.00 C ATOM 750 NH1 ARG A 53 -0.834 -0.798 -7.198 1.00 0.00 N ATOM 751 NH2 ARG A 53 0.822 -1.465 -8.681 1.00 0.00 N ATOM 0 H ARG A 53 -2.473 -3.450 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.176 -4.656 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.662 -2.260 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.100 -1.759 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.656 -3.637 -4.511 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.796 -2.989 -5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.160 -0.641 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.658 -1.409 -4.352 1.00 0.00 H new ATOM 0 HE ARG A 53 2.084 -2.050 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.167 -0.678 -6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.428 -0.528 -7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.750 -1.853 -8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.229 -1.195 -9.466 1.00 0.00 H new ATOM 765 N LEU A 54 1.563 -4.317 -1.225 1.00 0.00 N ATOM 766 CA LEU A 54 2.578 -4.209 -0.191 1.00 0.00 C ATOM 767 C LEU A 54 3.913 -3.823 -0.831 1.00 0.00 C ATOM 768 O LEU A 54 4.383 -4.495 -1.748 1.00 0.00 O ATOM 769 CB LEU A 54 2.642 -5.495 0.635 1.00 0.00 C ATOM 770 CG LEU A 54 1.398 -5.822 1.464 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.367 -7.303 1.845 1.00 0.00 C ATOM 772 CD2 LEU A 54 1.302 -4.912 2.690 1.00 0.00 C ATOM 0 H LEU A 54 1.798 -4.951 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 54 2.320 -3.418 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.833 -6.328 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.496 -5.429 1.309 1.00 0.00 H new ATOM 0 HG LEU A 54 0.518 -5.629 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.473 -7.509 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.354 -7.911 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.252 -7.546 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.409 -5.165 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.184 -5.049 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.244 -3.872 2.368 1.00 0.00 H new ATOM 784 N ARG A 55 4.486 -2.742 -0.323 1.00 0.00 N ATOM 785 CA ARG A 55 5.758 -2.258 -0.834 1.00 0.00 C ATOM 786 C ARG A 55 6.809 -2.253 0.278 1.00 0.00 C ATOM 787 O ARG A 55 6.486 -2.016 1.441 1.00 0.00 O ATOM 788 CB ARG A 55 5.621 -0.845 -1.404 1.00 0.00 C ATOM 789 CG ARG A 55 6.994 -0.236 -1.694 1.00 0.00 C ATOM 790 CD ARG A 55 6.888 0.888 -2.727 1.00 0.00 C ATOM 791 NE ARG A 55 6.388 2.123 -2.082 1.00 0.00 N ATOM 792 CZ ARG A 55 6.249 3.297 -2.713 1.00 0.00 C ATOM 793 NH1 ARG A 55 6.571 3.403 -4.009 1.00 0.00 N ATOM 794 NH2 ARG A 55 5.787 4.364 -2.047 1.00 0.00 N ATOM 0 H ARG A 55 4.093 -2.187 0.437 1.00 0.00 H new ATOM 0 HA ARG A 55 6.072 -2.930 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.031 -0.874 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.081 -0.215 -0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.426 0.152 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.669 -1.009 -2.061 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.863 1.072 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.216 0.591 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 55 6.133 2.078 -1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.922 2.590 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.465 4.297 -4.489 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.541 4.282 -1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.681 5.258 -2.527 1.00 0.00 H new ATOM 808 N ASN A 56 8.045 -2.516 -0.119 1.00 0.00 N ATOM 809 CA ASN A 56 9.146 -2.545 0.829 1.00 0.00 C ATOM 810 C ASN A 56 9.751 -1.144 0.943 1.00 0.00 C ATOM 811 O ASN A 56 9.793 -0.400 -0.036 1.00 0.00 O ATOM 812 CB ASN A 56 10.248 -3.500 0.366 1.00 0.00 C ATOM 813 CG ASN A 56 11.027 -4.057 1.559 1.00 0.00 C ATOM 814 OD1 ASN A 56 10.773 -3.731 2.707 1.00 0.00 O ATOM 815 ND2 ASN A 56 11.987 -4.915 1.225 1.00 0.00 N ATOM 0 H ASN A 56 8.309 -2.711 -1.085 1.00 0.00 H new ATOM 0 HA ASN A 56 8.756 -2.884 1.789 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.809 -4.321 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.929 -2.977 -0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.563 -5.343 1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.147 -5.145 0.244 1.00 0.00 H new ATOM 822 N LYS A 57 10.206 -0.827 2.147 1.00 0.00 N ATOM 823 CA LYS A 57 10.807 0.471 2.401 1.00 0.00 C ATOM 824 C LYS A 57 12.318 0.303 2.579 1.00 0.00 C ATOM 825 O LYS A 57 13.094 1.170 2.180 1.00 0.00 O ATOM 826 CB LYS A 57 10.122 1.156 3.585 1.00 0.00 C ATOM 827 CG LYS A 57 8.649 1.436 3.278 1.00 0.00 C ATOM 828 CD LYS A 57 8.505 2.603 2.299 1.00 0.00 C ATOM 829 CE LYS A 57 8.072 2.108 0.917 1.00 0.00 C ATOM 830 NZ LYS A 57 9.098 2.439 -0.097 1.00 0.00 N ATOM 0 H LYS A 57 10.170 -1.447 2.956 1.00 0.00 H new ATOM 0 HA LYS A 57 10.657 1.133 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.199 0.524 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.634 2.091 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.186 0.544 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.118 1.664 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.773 3.314 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.453 3.134 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.913 1.030 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.121 2.564 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.635 2.810 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.745 3.157 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.636 1.582 -0.339 1.00 0.00 H new ATOM 844 N SER A 58 12.689 -0.819 3.178 1.00 0.00 N ATOM 845 CA SER A 58 14.093 -1.112 3.413 1.00 0.00 C ATOM 846 C SER A 58 14.839 -1.201 2.081 1.00 0.00 C ATOM 847 O SER A 58 14.219 -1.297 1.023 1.00 0.00 O ATOM 848 CB SER A 58 14.259 -2.412 4.203 1.00 0.00 C ATOM 849 OG SER A 58 13.883 -3.554 3.437 1.00 0.00 O ATOM 0 H SER A 58 12.042 -1.536 3.508 1.00 0.00 H new ATOM 0 HA SER A 58 14.517 -0.302 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.297 -2.514 4.520 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.653 -2.367 5.108 1.00 0.00 H new ATOM 0 HG SER A 58 14.678 -4.090 3.237 1.00 0.00 H new ATOM 855 N ASN A 59 16.161 -1.167 2.175 1.00 0.00 N ATOM 856 CA ASN A 59 16.998 -1.243 0.991 1.00 0.00 C ATOM 857 C ASN A 59 17.600 -2.646 0.885 1.00 0.00 C ATOM 858 O ASN A 59 18.523 -2.872 0.105 1.00 0.00 O ATOM 859 CB ASN A 59 18.150 -0.239 1.065 1.00 0.00 C ATOM 860 CG ASN A 59 18.742 -0.187 2.476 1.00 0.00 C ATOM 861 OD1 ASN A 59 18.615 0.791 3.194 1.00 0.00 O ATOM 862 ND2 ASN A 59 19.393 -1.291 2.830 1.00 0.00 N ATOM 0 H ASN A 59 16.672 -1.088 3.054 1.00 0.00 H new ATOM 0 HA ASN A 59 16.377 -1.016 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.926 -0.517 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.794 0.751 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 59 19.824 -1.355 3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.461 -2.074 2.179 1.00 0.00 H new ATOM 869 N GLU A 60 17.051 -3.551 1.682 1.00 0.00 N ATOM 870 CA GLU A 60 17.522 -4.926 1.688 1.00 0.00 C ATOM 871 C GLU A 60 16.360 -5.886 1.428 1.00 0.00 C ATOM 872 O GLU A 60 15.306 -5.774 2.051 1.00 0.00 O ATOM 873 CB GLU A 60 18.224 -5.259 3.007 1.00 0.00 C ATOM 874 CG GLU A 60 19.742 -5.132 2.867 1.00 0.00 C ATOM 875 CD GLU A 60 20.263 -6.005 1.724 1.00 0.00 C ATOM 876 OE1 GLU A 60 19.963 -7.219 1.754 1.00 0.00 O ATOM 877 OE2 GLU A 60 20.948 -5.440 0.845 1.00 0.00 O ATOM 0 H GLU A 60 16.285 -3.359 2.328 1.00 0.00 H new ATOM 0 HA GLU A 60 18.251 -5.044 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.870 -4.589 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.967 -6.273 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.008 -4.091 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.222 -5.424 3.801 1.00 0.00 H new ATOM 884 N ASP A 61 16.592 -6.809 0.505 1.00 0.00 N ATOM 885 CA ASP A 61 15.578 -7.788 0.154 1.00 0.00 C ATOM 886 C ASP A 61 14.987 -8.384 1.433 1.00 0.00 C ATOM 887 O ASP A 61 15.705 -8.980 2.234 1.00 0.00 O ATOM 888 CB ASP A 61 16.177 -8.931 -0.667 1.00 0.00 C ATOM 889 CG ASP A 61 17.456 -9.541 -0.090 1.00 0.00 C ATOM 890 OD1 ASP A 61 18.493 -8.844 -0.148 1.00 0.00 O ATOM 891 OD2 ASP A 61 17.369 -10.689 0.395 1.00 0.00 O ATOM 0 H ASP A 61 17.468 -6.899 -0.010 1.00 0.00 H new ATOM 0 HA ASP A 61 14.812 -7.284 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.429 -9.718 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.388 -8.565 -1.672 1.00 0.00 H new ATOM 896 N GLN A 62 13.683 -8.202 1.584 1.00 0.00 N ATOM 897 CA GLN A 62 12.987 -8.715 2.752 1.00 0.00 C ATOM 898 C GLN A 62 12.389 -10.091 2.453 1.00 0.00 C ATOM 899 O GLN A 62 11.489 -10.214 1.624 1.00 0.00 O ATOM 900 CB GLN A 62 11.906 -7.738 3.219 1.00 0.00 C ATOM 901 CG GLN A 62 10.998 -8.384 4.267 1.00 0.00 C ATOM 902 CD GLN A 62 11.794 -8.788 5.509 1.00 0.00 C ATOM 903 OE1 GLN A 62 12.387 -7.968 6.191 1.00 0.00 O ATOM 904 NE2 GLN A 62 11.776 -10.093 5.764 1.00 0.00 N ATOM 0 H GLN A 62 13.091 -7.707 0.917 1.00 0.00 H new ATOM 0 HA GLN A 62 13.709 -8.822 3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.373 -6.846 3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.310 -7.415 2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.208 -7.687 4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.512 -9.262 3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.260 -10.725 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.279 -10.462 6.571 1.00 0.00 H new ATOM 913 N SER A 63 12.915 -11.092 3.143 1.00 0.00 N ATOM 914 CA SER A 63 12.445 -12.455 2.962 1.00 0.00 C ATOM 915 C SER A 63 11.047 -12.611 3.563 1.00 0.00 C ATOM 916 O SER A 63 10.848 -12.369 4.752 1.00 0.00 O ATOM 917 CB SER A 63 13.410 -13.460 3.595 1.00 0.00 C ATOM 918 OG SER A 63 13.517 -13.281 5.005 1.00 0.00 O ATOM 0 H SER A 63 13.663 -10.986 3.829 1.00 0.00 H new ATOM 0 HA SER A 63 12.399 -12.661 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.069 -14.473 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.395 -13.353 3.140 1.00 0.00 H new ATOM 0 HG SER A 63 12.679 -12.910 5.352 1.00 0.00 H new ATOM 924 N MET A 64 10.114 -13.014 2.713 1.00 0.00 N ATOM 925 CA MET A 64 8.740 -13.205 3.145 1.00 0.00 C ATOM 926 C MET A 64 8.331 -14.675 3.040 1.00 0.00 C ATOM 927 O MET A 64 7.253 -14.989 2.536 1.00 0.00 O ATOM 928 CB MET A 64 7.809 -12.353 2.280 1.00 0.00 C ATOM 929 CG MET A 64 8.250 -10.888 2.278 1.00 0.00 C ATOM 930 SD MET A 64 6.995 -9.873 1.517 1.00 0.00 S ATOM 931 CE MET A 64 5.589 -10.307 2.528 1.00 0.00 C ATOM 0 H MET A 64 10.283 -13.214 1.727 1.00 0.00 H new ATOM 0 HA MET A 64 8.662 -12.899 4.188 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.803 -12.736 1.260 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.788 -12.429 2.655 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.430 -10.553 3.299 1.00 0.00 H new ATOM 0 HG3 MET A 64 9.191 -10.784 1.737 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.855 -9.501 2.496 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.138 -11.224 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.914 -10.461 3.557 1.00 0.00 H new ATOM 941 N GLY A 65 9.213 -15.538 3.523 1.00 0.00 N ATOM 942 CA GLY A 65 8.958 -16.968 3.489 1.00 0.00 C ATOM 943 C GLY A 65 8.278 -17.434 4.779 1.00 0.00 C ATOM 944 O GLY A 65 8.771 -18.336 5.453 1.00 0.00 O ATOM 0 H GLY A 65 10.106 -15.274 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.327 -17.208 2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.897 -17.505 3.354 1.00 0.00 H new ATOM 948 N ASN A 66 7.157 -16.797 5.082 1.00 0.00 N ATOM 949 CA ASN A 66 6.405 -17.135 6.279 1.00 0.00 C ATOM 950 C ASN A 66 5.494 -15.963 6.651 1.00 0.00 C ATOM 951 O ASN A 66 4.442 -16.158 7.258 1.00 0.00 O ATOM 952 CB ASN A 66 7.340 -17.401 7.460 1.00 0.00 C ATOM 953 CG ASN A 66 7.304 -18.876 7.865 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.320 -19.226 9.034 1.00 0.00 O ATOM 955 ND2 ASN A 66 7.256 -19.718 6.837 1.00 0.00 N ATOM 0 H ASN A 66 6.751 -16.049 4.520 1.00 0.00 H new ATOM 0 HA ASN A 66 5.824 -18.033 6.070 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.358 -17.118 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.048 -16.780 8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.230 -20.724 7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.245 -19.358 5.883 1.00 0.00 H new ATOM 962 N TRP A 67 5.932 -14.771 6.272 1.00 0.00 N ATOM 963 CA TRP A 67 5.169 -13.568 6.559 1.00 0.00 C ATOM 964 C TRP A 67 3.699 -13.854 6.247 1.00 0.00 C ATOM 965 O TRP A 67 3.387 -14.798 5.521 1.00 0.00 O ATOM 966 CB TRP A 67 5.723 -12.370 5.784 1.00 0.00 C ATOM 967 CG TRP A 67 7.043 -11.829 6.336 1.00 0.00 C ATOM 968 CD1 TRP A 67 8.114 -12.524 6.743 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.392 -10.441 6.524 1.00 0.00 C ATOM 970 NE1 TRP A 67 9.123 -11.690 7.179 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.670 -10.383 7.042 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.651 -9.274 6.267 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.319 -9.180 7.345 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.315 -8.081 6.576 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.601 -8.005 7.097 1.00 0.00 C ATOM 0 H TRP A 67 6.805 -14.613 5.769 1.00 0.00 H new ATOM 0 HA TRP A 67 5.255 -13.299 7.612 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.868 -12.659 4.743 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.982 -11.570 5.793 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.179 -13.602 6.731 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.034 -11.979 7.536 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.649 -9.296 5.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.321 -9.160 7.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.791 -7.154 6.397 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.044 -7.043 7.310 1.00 0.00 H new ATOM 986 N GLN A 68 2.835 -13.023 6.810 1.00 0.00 N ATOM 987 CA GLN A 68 1.405 -13.175 6.600 1.00 0.00 C ATOM 988 C GLN A 68 0.723 -11.805 6.576 1.00 0.00 C ATOM 989 O GLN A 68 1.342 -10.794 6.905 1.00 0.00 O ATOM 990 CB GLN A 68 0.787 -14.076 7.671 1.00 0.00 C ATOM 991 CG GLN A 68 1.820 -15.060 8.223 1.00 0.00 C ATOM 992 CD GLN A 68 1.147 -16.149 9.061 1.00 0.00 C ATOM 993 OE1 GLN A 68 0.015 -16.538 8.827 1.00 0.00 O ATOM 994 NE2 GLN A 68 1.906 -16.619 10.048 1.00 0.00 N ATOM 0 H GLN A 68 3.097 -12.242 7.411 1.00 0.00 H new ATOM 0 HA GLN A 68 1.248 -13.654 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.392 -13.464 8.482 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.054 -14.625 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.369 -15.517 7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.548 -14.525 8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.846 -16.249 10.189 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.548 -17.349 10.663 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.542 -11.817 6.184 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.314 -10.588 6.112 1.00 0.00 C ATOM 1005 C ILE A 69 -2.641 -10.781 6.849 1.00 0.00 C ATOM 1006 O ILE A 69 -3.468 -11.596 6.443 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.478 -10.141 4.658 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.205 -10.414 3.854 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.902 -8.674 4.579 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.446 -10.207 2.358 1.00 0.00 C ATOM 0 H ILE A 69 -1.052 -12.658 5.913 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.785 -9.777 6.612 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.276 -10.731 4.208 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.592 -9.752 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.131 -11.435 4.034 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.011 -8.383 3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.854 -8.542 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.144 -8.050 5.052 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.475 -10.408 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.227 -10.887 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.758 -9.178 2.179 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.803 -10.017 7.920 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.016 -10.094 8.717 1.00 0.00 C ATOM 1024 C ARG A 70 -5.063 -9.113 8.186 1.00 0.00 C ATOM 1025 O ARG A 70 -4.733 -7.989 7.813 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.729 -9.778 10.186 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.180 -11.006 10.915 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.396 -10.890 12.425 1.00 0.00 C ATOM 1029 NE ARG A 70 -2.398 -11.713 13.144 1.00 0.00 N ATOM 1030 CZ ARG A 70 -2.534 -13.026 13.375 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.626 -13.673 12.946 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -1.577 -13.692 14.036 1.00 0.00 N ATOM 0 H ARG A 70 -2.115 -9.342 8.254 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.398 -11.112 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.011 -8.961 10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.643 -9.440 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.671 -11.905 10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.116 -11.113 10.704 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.311 -9.848 12.734 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.403 -11.217 12.683 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.554 -11.252 13.485 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.354 -13.166 12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.729 -14.672 13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.746 -13.199 14.363 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.680 -14.691 14.212 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.305 -9.575 8.169 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.403 -8.753 7.690 1.00 0.00 C ATOM 1048 C ARG A 71 -8.641 -8.958 8.566 1.00 0.00 C ATOM 1049 O ARG A 71 -9.343 -9.958 8.429 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.751 -9.091 6.239 1.00 0.00 C ATOM 1051 CG ARG A 71 -9.007 -8.341 5.788 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.945 -6.870 6.203 1.00 0.00 C ATOM 1053 NE ARG A 71 -9.514 -6.018 5.135 1.00 0.00 N ATOM 1054 CZ ARG A 71 -8.982 -5.893 3.911 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -7.866 -6.563 3.594 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -9.567 -5.097 3.005 1.00 0.00 N ATOM 0 H ARG A 71 -6.575 -10.508 8.479 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.086 -7.712 7.742 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.915 -8.830 5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.909 -10.165 6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.109 -8.413 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.890 -8.809 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.498 -6.722 7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.912 -6.582 6.398 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.364 -5.493 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.421 -7.168 4.284 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.461 -6.468 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.416 -4.587 3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.163 -5.001 2.073 1.00 0.00 H new ATOM 1070 N GLN A 72 -8.870 -7.994 9.445 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.011 -8.056 10.343 1.00 0.00 C ATOM 1072 C GLN A 72 -10.995 -6.928 10.028 1.00 0.00 C ATOM 1073 O GLN A 72 -10.738 -5.768 10.346 1.00 0.00 O ATOM 1074 CB GLN A 72 -9.562 -7.999 11.805 1.00 0.00 C ATOM 1075 CG GLN A 72 -10.579 -8.686 12.718 1.00 0.00 C ATOM 1076 CD GLN A 72 -11.405 -7.656 13.492 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -11.050 -7.227 14.577 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -12.523 -7.285 12.875 1.00 0.00 N ATOM 0 H GLN A 72 -8.285 -7.166 9.555 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.518 -9.009 10.190 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.590 -8.481 11.910 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.437 -6.960 12.111 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.241 -9.315 12.123 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.060 -9.342 13.418 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.761 -7.684 11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.143 -6.601 13.310 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.103 -7.308 9.408 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.127 -6.344 9.047 1.00 0.00 C ATOM 1089 C ASN A 73 -14.318 -6.491 9.996 1.00 0.00 C ATOM 1090 O ASN A 73 -14.596 -7.586 10.483 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.628 -6.580 7.620 1.00 0.00 C ATOM 1092 CG ASN A 73 -12.457 -6.743 6.648 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -11.588 -5.895 6.535 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.484 -7.878 5.956 1.00 0.00 N ATOM 0 H ASN A 73 -12.313 -8.271 9.147 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.690 -5.348 9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.254 -7.472 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.252 -5.743 7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.747 -8.082 5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.242 -8.545 6.100 1.00 0.00 H new ATOM 1146 N LEU A 78 -12.059 -12.977 10.727 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.702 -12.481 10.571 1.00 0.00 C ATOM 1148 C LEU A 78 -9.888 -13.484 9.751 1.00 0.00 C ATOM 1149 O LEU A 78 -9.845 -14.669 10.078 1.00 0.00 O ATOM 1150 CB LEU A 78 -10.088 -12.161 11.935 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.559 -12.142 11.995 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -7.989 -11.043 11.096 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -8.069 -12.013 13.439 1.00 0.00 C ATOM 0 HA LEU A 78 -10.702 -11.541 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.457 -11.187 12.258 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.451 -12.894 12.656 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.190 -13.094 11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.901 -11.051 11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.296 -11.220 10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.364 -10.074 11.424 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.979 -12.002 13.454 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.447 -11.086 13.870 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.431 -12.859 14.023 1.00 0.00 H new ATOM 1165 N MET A 79 -9.263 -12.972 8.701 1.00 0.00 N ATOM 1166 CA MET A 79 -8.453 -13.808 7.831 1.00 0.00 C ATOM 1167 C MET A 79 -6.970 -13.448 7.950 1.00 0.00 C ATOM 1168 O MET A 79 -6.628 -12.329 8.329 1.00 0.00 O ATOM 1169 CB MET A 79 -8.907 -13.627 6.381 1.00 0.00 C ATOM 1170 CG MET A 79 -10.365 -14.056 6.206 1.00 0.00 C ATOM 1171 SD MET A 79 -11.421 -12.618 6.142 1.00 0.00 S ATOM 1172 CE MET A 79 -10.644 -11.723 4.807 1.00 0.00 C ATOM 0 H MET A 79 -9.301 -11.989 8.433 1.00 0.00 H new ATOM 0 HA MET A 79 -8.581 -14.847 8.134 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.794 -12.583 6.088 1.00 0.00 H new ATOM 0 HB3 MET A 79 -8.269 -14.215 5.720 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.474 -14.638 5.291 1.00 0.00 H new ATOM 0 HG3 MET A 79 -10.665 -14.701 7.032 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.410 -11.318 4.146 1.00 0.00 H new ATOM 0 HE2 MET A 79 -10.048 -10.906 5.215 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.999 -12.397 4.244 1.00 0.00 H new ATOM 1182 N THR A 80 -6.131 -14.419 7.620 1.00 0.00 N ATOM 1183 CA THR A 80 -4.693 -14.219 7.685 1.00 0.00 C ATOM 1184 C THR A 80 -4.006 -14.893 6.496 1.00 0.00 C ATOM 1185 O THR A 80 -3.769 -16.100 6.514 1.00 0.00 O ATOM 1186 CB THR A 80 -4.205 -14.734 9.041 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.701 -13.778 9.975 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.685 -14.645 9.189 1.00 0.00 C ATOM 0 H THR A 80 -6.419 -15.346 7.307 1.00 0.00 H new ATOM 0 HA THR A 80 -4.437 -13.162 7.611 1.00 0.00 H new ATOM 0 HB THR A 80 -4.522 -15.769 9.171 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.021 -14.240 10.778 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.392 -15.023 10.169 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.208 -15.243 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.370 -13.606 9.092 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.706 -14.084 5.491 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.051 -14.587 4.295 1.00 0.00 C ATOM 1198 C TYR A 81 -1.558 -14.812 4.542 1.00 0.00 C ATOM 1199 O TYR A 81 -0.767 -13.871 4.489 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.222 -13.500 3.232 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.497 -13.797 1.917 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -1.189 -13.391 1.744 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -3.150 -14.470 0.905 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -0.507 -13.669 0.507 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -2.468 -14.748 -0.332 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.180 -14.335 -0.470 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.535 -14.598 -1.638 1.00 0.00 O ATOM 0 H TYR A 81 -3.904 -13.084 5.480 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.484 -15.540 3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.285 -13.370 3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.856 -12.554 3.632 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.677 -12.865 2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.173 -14.788 1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.516 -13.356 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.968 -15.273 -1.132 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.137 -15.080 -2.243 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.216 -16.065 4.805 1.00 0.00 N ATOM 1218 CA ARG A 82 0.168 -16.425 5.060 1.00 0.00 C ATOM 1219 C ARG A 82 0.912 -16.640 3.740 1.00 0.00 C ATOM 1220 O ARG A 82 0.612 -17.575 3.000 1.00 0.00 O ATOM 1221 CB ARG A 82 0.259 -17.700 5.902 1.00 0.00 C ATOM 1222 CG ARG A 82 1.714 -18.030 6.241 1.00 0.00 C ATOM 1223 CD ARG A 82 1.820 -18.687 7.619 1.00 0.00 C ATOM 1224 NE ARG A 82 1.917 -20.157 7.472 1.00 0.00 N ATOM 1225 CZ ARG A 82 3.056 -20.813 7.210 1.00 0.00 C ATOM 1226 NH1 ARG A 82 4.202 -20.134 7.065 1.00 0.00 N ATOM 1227 NH2 ARG A 82 3.049 -22.148 7.094 1.00 0.00 N ATOM 0 H ARG A 82 -1.874 -16.843 4.847 1.00 0.00 H new ATOM 0 HA ARG A 82 0.628 -15.605 5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.313 -17.575 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.189 -18.532 5.359 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.125 -18.697 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.311 -17.119 6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.695 -18.307 8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.949 -18.430 8.222 1.00 0.00 H new ATOM 0 HE ARG A 82 1.063 -20.705 7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.208 -19.118 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.069 -20.633 6.866 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.177 -22.665 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.916 -22.647 6.895 1.00 0.00 H new ATOM 1241 N PHE A 83 1.868 -15.758 3.487 1.00 0.00 N ATOM 1242 CA PHE A 83 2.657 -15.839 2.269 1.00 0.00 C ATOM 1243 C PHE A 83 3.388 -17.180 2.178 1.00 0.00 C ATOM 1244 O PHE A 83 3.497 -17.900 3.169 1.00 0.00 O ATOM 1245 CB PHE A 83 3.690 -14.712 2.330 1.00 0.00 C ATOM 1246 CG PHE A 83 3.138 -13.340 1.939 1.00 0.00 C ATOM 1247 CD1 PHE A 83 2.849 -13.069 0.638 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.935 -12.391 2.892 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.336 -11.795 0.275 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.423 -11.118 2.530 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.134 -10.847 1.228 1.00 0.00 C ATOM 0 H PHE A 83 2.114 -14.984 4.104 1.00 0.00 H new ATOM 0 HA PHE A 83 2.008 -15.749 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.092 -14.656 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.522 -14.959 1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.009 -13.822 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.164 -12.607 3.925 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.106 -11.580 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.263 -10.365 3.287 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.744 -9.878 0.952 1.00 0.00 H new ATOM 1261 N PRO A 84 3.882 -17.483 0.948 1.00 0.00 N ATOM 1262 CA PRO A 84 4.599 -18.725 0.714 1.00 0.00 C ATOM 1263 C PRO A 84 6.009 -18.663 1.303 1.00 0.00 C ATOM 1264 O PRO A 84 6.637 -17.605 1.309 1.00 0.00 O ATOM 1265 CB PRO A 84 4.592 -18.905 -0.796 1.00 0.00 C ATOM 1266 CG PRO A 84 4.283 -17.535 -1.377 1.00 0.00 C ATOM 1267 CD PRO A 84 3.771 -16.654 -0.249 1.00 0.00 C ATOM 0 HA PRO A 84 4.133 -19.579 1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.556 -19.271 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.842 -19.636 -1.099 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.176 -17.100 -1.825 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.537 -17.615 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.364 -15.744 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.740 -16.346 -0.424 1.00 0.00 H new ATOM 1275 N PRO A 85 6.479 -19.840 1.796 1.00 0.00 N ATOM 1276 CA PRO A 85 7.804 -19.929 2.385 1.00 0.00 C ATOM 1277 C PRO A 85 8.887 -19.910 1.305 1.00 0.00 C ATOM 1278 O PRO A 85 9.986 -20.423 1.513 1.00 0.00 O ATOM 1279 CB PRO A 85 7.791 -21.219 3.190 1.00 0.00 C ATOM 1280 CG PRO A 85 6.627 -22.035 2.650 1.00 0.00 C ATOM 1281 CD PRO A 85 5.764 -21.113 1.805 1.00 0.00 C ATOM 0 HA PRO A 85 8.038 -19.078 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.731 -21.759 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.665 -21.015 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.991 -22.871 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.045 -22.458 3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.638 -21.504 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.767 -21.004 2.231 1.00 0.00 H new ATOM 1289 N LYS A 86 8.540 -19.312 0.175 1.00 0.00 N ATOM 1290 CA LYS A 86 9.469 -19.219 -0.938 1.00 0.00 C ATOM 1291 C LYS A 86 9.272 -17.879 -1.651 1.00 0.00 C ATOM 1292 O LYS A 86 9.339 -17.809 -2.877 1.00 0.00 O ATOM 1293 CB LYS A 86 9.325 -20.432 -1.859 1.00 0.00 C ATOM 1294 CG LYS A 86 9.770 -21.714 -1.151 1.00 0.00 C ATOM 1295 CD LYS A 86 8.589 -22.392 -0.453 1.00 0.00 C ATOM 1296 CE LYS A 86 7.979 -23.479 -1.340 1.00 0.00 C ATOM 1297 NZ LYS A 86 7.025 -24.305 -0.566 1.00 0.00 N ATOM 0 H LYS A 86 7.628 -18.887 0.006 1.00 0.00 H new ATOM 0 HA LYS A 86 10.498 -19.241 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.287 -20.530 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.922 -20.283 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.212 -22.399 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.544 -21.480 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.921 -22.830 0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.830 -21.648 -0.209 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.469 -23.021 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.769 -24.110 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.620 -25.038 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.522 -24.757 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.262 -23.701 -0.199 1.00 0.00 H new ATOM 1311 N PHE A 87 9.034 -16.850 -0.852 1.00 0.00 N ATOM 1312 CA PHE A 87 8.827 -15.517 -1.391 1.00 0.00 C ATOM 1313 C PHE A 87 9.737 -14.499 -0.701 1.00 0.00 C ATOM 1314 O PHE A 87 9.866 -14.505 0.522 1.00 0.00 O ATOM 1315 CB PHE A 87 7.368 -15.145 -1.118 1.00 0.00 C ATOM 1316 CG PHE A 87 6.827 -14.039 -2.026 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.520 -14.313 -3.322 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.652 -12.782 -1.536 1.00 0.00 C ATOM 1319 CE1 PHE A 87 6.018 -13.286 -4.165 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.150 -11.756 -2.379 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.844 -12.029 -3.675 1.00 0.00 C ATOM 0 H PHE A 87 8.980 -16.912 0.165 1.00 0.00 H new ATOM 0 HA PHE A 87 9.057 -15.507 -2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.749 -16.034 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.273 -14.827 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.658 -15.311 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.895 -12.565 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.775 -13.503 -5.195 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.011 -10.758 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.463 -11.248 -4.316 1.00 0.00 H new ATOM 1331 N THR A 88 10.346 -13.649 -1.516 1.00 0.00 N ATOM 1332 CA THR A 88 11.240 -12.628 -0.999 1.00 0.00 C ATOM 1333 C THR A 88 10.949 -11.279 -1.661 1.00 0.00 C ATOM 1334 O THR A 88 11.203 -11.100 -2.851 1.00 0.00 O ATOM 1335 CB THR A 88 12.678 -13.109 -1.208 1.00 0.00 C ATOM 1336 OG1 THR A 88 12.985 -13.814 -0.008 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.684 -11.956 -1.230 1.00 0.00 C ATOM 0 H THR A 88 10.237 -13.647 -2.530 1.00 0.00 H new ATOM 0 HA THR A 88 11.086 -12.471 0.069 1.00 0.00 H new ATOM 0 HB THR A 88 12.743 -13.665 -2.143 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.160 -14.169 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.688 -12.352 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.437 -11.273 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.644 -11.420 -0.282 1.00 0.00 H new ATOM 1345 N LEU A 89 10.419 -10.366 -0.860 1.00 0.00 N ATOM 1346 CA LEU A 89 10.090 -9.039 -1.353 1.00 0.00 C ATOM 1347 C LEU A 89 11.352 -8.175 -1.360 1.00 0.00 C ATOM 1348 O LEU A 89 11.725 -7.606 -0.335 1.00 0.00 O ATOM 1349 CB LEU A 89 8.937 -8.438 -0.546 1.00 0.00 C ATOM 1350 CG LEU A 89 8.585 -6.983 -0.861 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.919 -6.865 -2.233 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.726 -6.374 0.249 1.00 0.00 C ATOM 0 H LEU A 89 10.209 -10.519 0.126 1.00 0.00 H new ATOM 0 HA LEU A 89 9.734 -9.092 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.049 -9.049 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.185 -8.510 0.513 1.00 0.00 H new ATOM 0 HG LEU A 89 9.510 -6.409 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.679 -5.821 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.599 -7.234 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.003 -7.456 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.490 -5.339 0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.802 -6.943 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.273 -6.405 1.191 1.00 0.00 H new ATOM 1364 N LYS A 90 11.976 -8.104 -2.527 1.00 0.00 N ATOM 1365 CA LYS A 90 13.189 -7.318 -2.680 1.00 0.00 C ATOM 1366 C LYS A 90 12.978 -5.935 -2.061 1.00 0.00 C ATOM 1367 O LYS A 90 11.870 -5.601 -1.644 1.00 0.00 O ATOM 1368 CB LYS A 90 13.617 -7.275 -4.148 1.00 0.00 C ATOM 1369 CG LYS A 90 13.998 -8.670 -4.650 1.00 0.00 C ATOM 1370 CD LYS A 90 15.291 -8.626 -5.466 1.00 0.00 C ATOM 1371 CE LYS A 90 16.477 -8.214 -4.592 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.440 -7.405 -5.372 1.00 0.00 N ATOM 0 H LYS A 90 11.665 -8.578 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 90 14.015 -7.785 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.805 -6.875 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.464 -6.599 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.122 -9.344 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.191 -9.073 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.481 -9.605 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.181 -7.922 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.123 -7.642 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.973 -9.102 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.239 -7.134 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.791 -7.963 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.968 -6.548 -5.725 1.00 0.00 H new ATOM 1386 N ALA A 91 14.058 -5.169 -2.020 1.00 0.00 N ATOM 1387 CA ALA A 91 14.005 -3.830 -1.458 1.00 0.00 C ATOM 1388 C ALA A 91 13.447 -2.864 -2.506 1.00 0.00 C ATOM 1389 O ALA A 91 13.782 -2.961 -3.685 1.00 0.00 O ATOM 1390 CB ALA A 91 15.398 -3.424 -0.974 1.00 0.00 C ATOM 0 H ALA A 91 14.975 -5.450 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 91 13.339 -3.802 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.358 -2.420 -0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.737 -4.125 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.093 -3.438 -1.813 1.00 0.00 H new ATOM 1396 N GLY A 92 12.606 -1.955 -2.037 1.00 0.00 N ATOM 1397 CA GLY A 92 11.998 -0.972 -2.918 1.00 0.00 C ATOM 1398 C GLY A 92 11.026 -1.638 -3.894 1.00 0.00 C ATOM 1399 O GLY A 92 10.523 -0.992 -4.813 1.00 0.00 O ATOM 0 H GLY A 92 12.331 -1.878 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.470 -0.225 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.775 -0.447 -3.474 1.00 0.00 H new ATOM 1403 N GLN A 93 10.789 -2.920 -3.661 1.00 0.00 N ATOM 1404 CA GLN A 93 9.886 -3.680 -4.508 1.00 0.00 C ATOM 1405 C GLN A 93 8.448 -3.552 -4.000 1.00 0.00 C ATOM 1406 O GLN A 93 8.206 -2.944 -2.959 1.00 0.00 O ATOM 1407 CB GLN A 93 10.311 -5.148 -4.586 1.00 0.00 C ATOM 1408 CG GLN A 93 10.840 -5.493 -5.979 1.00 0.00 C ATOM 1409 CD GLN A 93 11.892 -4.478 -6.433 1.00 0.00 C ATOM 1410 OE1 GLN A 93 11.764 -3.830 -7.459 1.00 0.00 O ATOM 1411 NE2 GLN A 93 12.935 -4.378 -5.615 1.00 0.00 N ATOM 0 H GLN A 93 11.207 -3.452 -2.898 1.00 0.00 H new ATOM 0 HA GLN A 93 9.933 -3.269 -5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.081 -5.347 -3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.463 -5.789 -4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.274 -6.493 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.015 -5.510 -6.691 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.979 -4.951 -4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.692 -3.729 -5.830 1.00 0.00 H new ATOM 1420 N VAL A 94 7.532 -4.136 -4.759 1.00 0.00 N ATOM 1421 CA VAL A 94 6.125 -4.095 -4.398 1.00 0.00 C ATOM 1422 C VAL A 94 5.445 -5.384 -4.866 1.00 0.00 C ATOM 1423 O VAL A 94 5.804 -5.937 -5.905 1.00 0.00 O ATOM 1424 CB VAL A 94 5.475 -2.834 -4.971 1.00 0.00 C ATOM 1425 CG1 VAL A 94 4.057 -2.652 -4.425 1.00 0.00 C ATOM 1426 CG2 VAL A 94 6.333 -1.599 -4.691 1.00 0.00 C ATOM 0 H VAL A 94 7.737 -4.640 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 94 6.009 -4.041 -3.315 1.00 0.00 H new ATOM 0 HB VAL A 94 5.405 -2.955 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.617 -1.749 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.448 -3.514 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.094 -2.564 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.848 -0.717 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.450 -1.473 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.314 -1.726 -5.150 1.00 0.00 H new ATOM 1436 N VAL A 95 4.476 -5.824 -4.077 1.00 0.00 N ATOM 1437 CA VAL A 95 3.743 -7.037 -4.398 1.00 0.00 C ATOM 1438 C VAL A 95 2.244 -6.782 -4.227 1.00 0.00 C ATOM 1439 O VAL A 95 1.827 -6.134 -3.269 1.00 0.00 O ATOM 1440 CB VAL A 95 4.253 -8.198 -3.542 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.321 -7.803 -2.065 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.388 -9.445 -3.737 1.00 0.00 C ATOM 0 H VAL A 95 4.181 -5.363 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 95 3.908 -7.320 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 95 5.264 -8.437 -3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.687 -8.646 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.998 -6.957 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.327 -7.523 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.772 -10.255 -3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.360 -9.224 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.414 -9.746 -4.784 1.00 0.00 H new ATOM 1452 N THR A 96 1.476 -7.305 -5.172 1.00 0.00 N ATOM 1453 CA THR A 96 0.033 -7.142 -5.138 1.00 0.00 C ATOM 1454 C THR A 96 -0.649 -8.483 -4.863 1.00 0.00 C ATOM 1455 O THR A 96 -0.404 -9.464 -5.565 1.00 0.00 O ATOM 1456 CB THR A 96 -0.401 -6.499 -6.457 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.642 -5.574 -6.752 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.644 -5.620 -6.299 1.00 0.00 C ATOM 0 H THR A 96 1.826 -7.842 -5.966 1.00 0.00 H new ATOM 0 HA THR A 96 -0.272 -6.485 -4.323 1.00 0.00 H new ATOM 0 HB THR A 96 -0.598 -7.279 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.442 -5.113 -7.594 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.909 -5.188 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.473 -6.225 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.436 -4.820 -5.588 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.491 -8.484 -3.840 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.210 -9.689 -3.463 1.00 0.00 C ATOM 1468 C ILE A 97 -3.699 -9.503 -3.760 1.00 0.00 C ATOM 1469 O ILE A 97 -4.466 -9.107 -2.883 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.914 -10.057 -2.008 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.407 -10.156 -1.763 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.645 -11.339 -1.606 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.180 -8.791 -1.398 1.00 0.00 C ATOM 0 H ILE A 97 -1.691 -7.669 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.870 -10.537 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.292 -9.258 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.211 -10.866 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.086 -10.541 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.417 -11.577 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.720 -11.195 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.320 -12.159 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.252 -8.889 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.004 -8.089 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.298 -8.420 -0.491 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.064 -9.797 -4.999 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.448 -9.667 -5.422 1.00 0.00 C ATOM 1487 C TRP A 98 -6.254 -10.781 -4.751 1.00 0.00 C ATOM 1488 O TRP A 98 -5.683 -11.731 -4.217 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.559 -9.685 -6.948 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.692 -8.636 -7.647 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.380 -8.694 -7.912 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -5.132 -7.362 -8.162 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -2.943 -7.556 -8.558 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -4.043 -6.720 -8.715 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.408 -6.772 -8.162 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -4.119 -5.454 -9.308 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.467 -5.506 -8.758 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.381 -4.846 -9.319 1.00 0.00 C ATOM 0 H TRP A 98 -3.425 -10.125 -5.724 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.857 -8.706 -5.112 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.278 -10.674 -7.311 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.600 -9.526 -7.228 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.744 -9.527 -7.652 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -1.989 -7.363 -8.864 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.274 -7.257 -7.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.251 -4.972 -9.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.425 -5.008 -8.783 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.509 -3.869 -9.761 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.569 -10.628 -4.800 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.460 -11.610 -4.204 1.00 0.00 C ATOM 1511 C ALA A 99 -9.134 -12.421 -5.312 1.00 0.00 C ATOM 1512 O ALA A 99 -9.498 -11.874 -6.352 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.472 -10.900 -3.303 1.00 0.00 C ATOM 0 H ALA A 99 -8.039 -9.839 -5.243 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.900 -12.307 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.140 -11.636 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.944 -10.363 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.054 -10.194 -3.895 1.00 0.00 H new ATOM 1519 N SER A 100 -9.280 -13.712 -5.052 1.00 0.00 N ATOM 1520 CA SER A 100 -9.903 -14.603 -6.015 1.00 0.00 C ATOM 1521 C SER A 100 -11.051 -13.884 -6.727 1.00 0.00 C ATOM 1522 O SER A 100 -11.169 -13.954 -7.949 1.00 0.00 O ATOM 1523 CB SER A 100 -10.414 -15.876 -5.337 1.00 0.00 C ATOM 1524 OG SER A 100 -11.404 -16.538 -6.119 1.00 0.00 O ATOM 0 H SER A 100 -8.977 -14.162 -4.188 1.00 0.00 H new ATOM 0 HA SER A 100 -9.152 -14.891 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.578 -16.553 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.831 -15.625 -4.362 1.00 0.00 H new ATOM 0 HG SER A 100 -11.703 -17.346 -5.652 1.00 0.00 H new ATOM 1530 N GLY A 101 -11.869 -13.211 -5.931 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.003 -12.480 -6.470 1.00 0.00 C ATOM 1532 C GLY A 101 -12.689 -10.987 -6.586 1.00 0.00 C ATOM 1533 O GLY A 101 -13.164 -10.184 -5.785 1.00 0.00 O ATOM 0 H GLY A 101 -11.769 -13.157 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.263 -12.878 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.871 -12.624 -5.827 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.889 -10.660 -7.591 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.505 -9.278 -7.823 1.00 0.00 C ATOM 1539 C ALA A 102 -10.999 -9.128 -9.259 1.00 0.00 C ATOM 1540 O ALA A 102 -10.178 -8.258 -9.544 1.00 0.00 O ATOM 1541 CB ALA A 102 -10.458 -8.859 -6.789 1.00 0.00 C ATOM 0 H ALA A 102 -11.496 -11.329 -8.254 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.363 -8.616 -7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.170 -7.822 -6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.877 -8.956 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.581 -9.500 -6.879 1.00 0.00 H new ATOM 1547 N GLY A 103 -11.511 -9.989 -10.126 1.00 0.00 N ATOM 1548 CA GLY A 103 -11.121 -9.963 -11.526 1.00 0.00 C ATOM 1549 C GLY A 103 -9.648 -9.578 -11.677 1.00 0.00 C ATOM 1550 O GLY A 103 -9.317 -8.663 -12.429 1.00 0.00 O ATOM 0 H GLY A 103 -12.193 -10.709 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.293 -10.942 -11.973 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.744 -9.251 -12.068 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.804 -10.297 -10.952 1.00 0.00 N ATOM 1555 CA ALA A 104 -7.375 -10.043 -10.997 1.00 0.00 C ATOM 1556 C ALA A 104 -6.708 -11.062 -11.922 1.00 0.00 C ATOM 1557 O ALA A 104 -7.366 -11.651 -12.779 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.804 -10.083 -9.578 1.00 0.00 C ATOM 0 H ALA A 104 -9.083 -11.056 -10.330 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.175 -9.051 -11.401 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.731 -9.892 -9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.289 -9.320 -8.969 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.984 -11.065 -9.141 1.00 0.00 H new ATOM 1564 N THR A 105 -5.411 -11.239 -11.719 1.00 0.00 N ATOM 1565 CA THR A 105 -4.648 -12.178 -12.524 1.00 0.00 C ATOM 1566 C THR A 105 -3.372 -12.596 -11.791 1.00 0.00 C ATOM 1567 O THR A 105 -2.550 -11.752 -11.438 1.00 0.00 O ATOM 1568 CB THR A 105 -4.382 -11.527 -13.883 1.00 0.00 C ATOM 1569 OG1 THR A 105 -5.564 -11.794 -14.633 1.00 0.00 O ATOM 1570 CG2 THR A 105 -3.276 -12.237 -14.666 1.00 0.00 C ATOM 0 H THR A 105 -4.869 -10.748 -11.008 1.00 0.00 H new ATOM 0 HA THR A 105 -5.205 -13.100 -12.691 1.00 0.00 H new ATOM 0 HB THR A 105 -4.110 -10.482 -13.737 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.267 -12.116 -14.031 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.127 -11.735 -15.622 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.349 -12.209 -14.093 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.562 -13.274 -14.841 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.247 -13.899 -11.585 1.00 0.00 N ATOM 1579 CA HIS A 106 -2.085 -14.439 -10.900 1.00 0.00 C ATOM 1580 C HIS A 106 -0.824 -14.141 -11.714 1.00 0.00 C ATOM 1581 O HIS A 106 -0.478 -14.890 -12.626 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.267 -15.932 -10.616 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.366 -16.464 -9.527 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.662 -16.339 -8.181 1.00 0.00 N ATOM 1585 CD2 HIS A 106 -0.175 -17.125 -9.600 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.685 -16.902 -7.484 1.00 0.00 C ATOM 1587 NE2 HIS A 106 0.235 -17.388 -8.366 1.00 0.00 N ATOM 0 H HIS A 106 -3.931 -14.596 -11.880 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.973 -13.954 -9.930 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.305 -16.114 -10.336 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -2.081 -16.491 -11.533 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.346 -17.389 -10.508 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.628 -16.965 -6.407 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.097 -17.874 -8.118 1.00 0.00 H new ATOM 1595 N SER A 107 -0.173 -13.044 -11.355 1.00 0.00 N ATOM 1596 CA SER A 107 1.042 -12.637 -12.040 1.00 0.00 C ATOM 1597 C SER A 107 2.144 -12.341 -11.021 1.00 0.00 C ATOM 1598 O SER A 107 2.584 -11.200 -10.892 1.00 0.00 O ATOM 1599 CB SER A 107 0.792 -11.413 -12.923 1.00 0.00 C ATOM 1600 OG SER A 107 0.860 -11.732 -14.310 1.00 0.00 O ATOM 0 H SER A 107 -0.464 -12.425 -10.599 1.00 0.00 H new ATOM 0 HA SER A 107 1.363 -13.456 -12.683 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.189 -10.996 -12.695 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.528 -10.643 -12.692 1.00 0.00 H new ATOM 0 HG SER A 107 0.693 -10.925 -14.840 1.00 0.00 H new ATOM 1606 N PRO A 108 2.569 -13.417 -10.305 1.00 0.00 N ATOM 1607 CA PRO A 108 3.611 -13.283 -9.302 1.00 0.00 C ATOM 1608 C PRO A 108 4.986 -13.131 -9.956 1.00 0.00 C ATOM 1609 O PRO A 108 5.125 -13.306 -11.166 1.00 0.00 O ATOM 1610 CB PRO A 108 3.495 -14.533 -8.446 1.00 0.00 C ATOM 1611 CG PRO A 108 2.707 -15.535 -9.274 1.00 0.00 C ATOM 1612 CD PRO A 108 2.071 -14.783 -10.432 1.00 0.00 C ATOM 0 HA PRO A 108 3.496 -12.387 -8.693 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.480 -14.925 -8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.986 -14.317 -7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.362 -16.324 -9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.942 -16.016 -8.665 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.353 -15.220 -11.390 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.983 -14.815 -10.375 1.00 0.00 H new ATOM 1620 N PRO A 109 5.994 -12.799 -9.105 1.00 0.00 N ATOM 1621 CA PRO A 109 5.744 -12.611 -7.686 1.00 0.00 C ATOM 1622 C PRO A 109 5.039 -11.279 -7.426 1.00 0.00 C ATOM 1623 O PRO A 109 4.531 -11.045 -6.330 1.00 0.00 O ATOM 1624 CB PRO A 109 7.113 -12.697 -7.031 1.00 0.00 C ATOM 1625 CG PRO A 109 8.123 -12.465 -8.143 1.00 0.00 C ATOM 1626 CD PRO A 109 7.393 -12.595 -9.470 1.00 0.00 C ATOM 0 HA PRO A 109 5.072 -13.364 -7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.218 -11.948 -6.246 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.262 -13.671 -6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.573 -11.477 -8.050 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.933 -13.191 -8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.517 -11.700 -10.079 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.776 -13.433 -10.053 1.00 0.00 H new ATOM 1634 N THR A 110 5.030 -10.440 -8.452 1.00 0.00 N ATOM 1635 CA THR A 110 4.395 -9.137 -8.347 1.00 0.00 C ATOM 1636 C THR A 110 2.926 -9.290 -7.949 1.00 0.00 C ATOM 1637 O THR A 110 2.589 -9.221 -6.768 1.00 0.00 O ATOM 1638 CB THR A 110 4.591 -8.408 -9.678 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.003 -9.279 -10.641 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.062 -8.333 -10.094 1.00 0.00 C ATOM 0 H THR A 110 5.452 -10.637 -9.359 1.00 0.00 H new ATOM 0 HA THR A 110 4.851 -8.537 -7.560 1.00 0.00 H new ATOM 0 HB THR A 110 4.183 -7.400 -9.603 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.905 -10.175 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.145 -7.806 -11.045 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.629 -7.798 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.461 -9.341 -10.202 1.00 0.00 H new ATOM 1648 N ASP A 111 2.091 -9.495 -8.957 1.00 0.00 N ATOM 1649 CA ASP A 111 0.665 -9.658 -8.726 1.00 0.00 C ATOM 1650 C ASP A 111 0.391 -11.083 -8.242 1.00 0.00 C ATOM 1651 O ASP A 111 1.055 -12.026 -8.670 1.00 0.00 O ATOM 1652 CB ASP A 111 -0.130 -9.435 -10.014 1.00 0.00 C ATOM 1653 CG ASP A 111 -0.279 -7.972 -10.437 1.00 0.00 C ATOM 1654 OD1 ASP A 111 -0.172 -7.108 -9.540 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -0.496 -7.751 -11.648 1.00 0.00 O ATOM 0 H ASP A 111 2.374 -9.552 -9.935 1.00 0.00 H new ATOM 0 HA ASP A 111 0.358 -8.924 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.355 -9.984 -10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.124 -9.864 -9.889 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.588 -11.195 -7.356 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.958 -12.489 -6.809 1.00 0.00 C ATOM 1662 C LEU A 112 -2.482 -12.580 -6.712 1.00 0.00 C ATOM 1663 O LEU A 112 -3.172 -11.562 -6.748 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.242 -12.733 -5.479 1.00 0.00 C ATOM 1665 CG LEU A 112 1.195 -13.251 -5.576 1.00 0.00 C ATOM 1666 CD1 LEU A 112 1.958 -12.997 -4.275 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.219 -14.728 -5.976 1.00 0.00 C ATOM 0 H LEU A 112 -1.136 -10.410 -7.003 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.632 -13.290 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.233 -11.799 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.827 -13.448 -4.900 1.00 0.00 H new ATOM 0 HG LEU A 112 1.706 -12.696 -6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.976 -13.375 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.986 -11.926 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.457 -13.509 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.252 -15.071 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.685 -15.316 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.737 -14.850 -6.946 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.963 -13.809 -6.592 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.393 -14.046 -6.490 1.00 0.00 C ATOM 1681 C VAL A 113 -4.674 -14.922 -5.268 1.00 0.00 C ATOM 1682 O VAL A 113 -4.160 -16.035 -5.166 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.917 -14.651 -7.793 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.359 -15.138 -7.631 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.803 -13.653 -8.947 1.00 0.00 C ATOM 0 H VAL A 113 -2.388 -14.651 -6.563 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.927 -13.107 -6.346 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.296 -15.514 -8.034 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.707 -15.564 -8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.401 -15.899 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.997 -14.299 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.183 -14.109 -9.861 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.387 -12.762 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.758 -13.376 -9.087 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.490 -14.388 -4.371 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.845 -15.107 -3.160 1.00 0.00 C ATOM 1697 C TRP A 114 -6.966 -16.090 -3.505 1.00 0.00 C ATOM 1698 O TRP A 114 -8.129 -15.701 -3.602 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.224 -14.139 -2.038 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.235 -14.773 -0.645 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -5.893 -16.024 -0.306 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.622 -14.133 0.589 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.031 -16.235 1.051 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.489 -15.048 1.612 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -7.070 -12.822 0.832 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.783 -14.753 2.949 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -7.360 -12.543 2.172 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -7.231 -13.454 3.214 1.00 0.00 C ATOM 0 H TRP A 114 -5.916 -13.465 -4.459 1.00 0.00 H new ATOM 0 HA TRP A 114 -4.992 -15.670 -2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.523 -13.304 -2.040 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.211 -13.727 -2.246 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.552 -16.772 -1.006 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.833 -17.102 1.550 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.181 -12.089 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.670 -15.488 3.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.709 -11.550 2.414 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.476 -13.160 4.224 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.577 -17.344 -3.683 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.535 -18.384 -4.016 1.00 0.00 C ATOM 1721 C LYS A 115 -8.260 -18.830 -2.744 1.00 0.00 C ATOM 1722 O LYS A 115 -9.474 -19.030 -2.755 1.00 0.00 O ATOM 1723 CB LYS A 115 -6.846 -19.528 -4.763 1.00 0.00 C ATOM 1724 CG LYS A 115 -6.394 -19.079 -6.155 1.00 0.00 C ATOM 1725 CD LYS A 115 -7.540 -19.181 -7.163 1.00 0.00 C ATOM 1726 CE LYS A 115 -7.043 -19.721 -8.505 1.00 0.00 C ATOM 1727 NZ LYS A 115 -8.033 -20.653 -9.088 1.00 0.00 N ATOM 0 H LYS A 115 -5.612 -17.663 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.293 -17.999 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.985 -19.874 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.529 -20.372 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.035 -18.051 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.558 -19.695 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.318 -19.835 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.991 -18.199 -7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.864 -18.894 -9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.090 -20.233 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.679 -21.010 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.183 -21.451 -8.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.933 -20.154 -9.238 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.486 -18.972 -1.679 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.039 -19.390 -0.402 1.00 0.00 C ATOM 1743 C ALA A 116 -9.313 -18.592 -0.117 1.00 0.00 C ATOM 1744 O ALA A 116 -10.366 -19.171 0.149 1.00 0.00 O ATOM 1745 CB ALA A 116 -6.985 -19.216 0.693 1.00 0.00 C ATOM 0 H ALA A 116 -6.480 -18.805 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.310 -20.445 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.400 -19.530 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.113 -19.826 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.690 -18.168 0.751 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.176 -17.276 -0.184 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.303 -16.393 0.064 1.00 0.00 C ATOM 1753 C GLN A 117 -10.936 -15.957 -1.259 1.00 0.00 C ATOM 1754 O GLN A 117 -10.435 -16.291 -2.331 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.878 -15.181 0.894 1.00 0.00 C ATOM 1756 CG GLN A 117 -10.483 -15.239 2.299 1.00 0.00 C ATOM 1757 CD GLN A 117 -11.942 -14.777 2.287 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -12.857 -15.535 2.008 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -12.107 -13.496 2.603 1.00 0.00 N ATOM 0 H GLN A 117 -8.302 -16.800 -0.406 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.050 -16.941 0.639 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.791 -15.146 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.195 -14.265 0.395 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.423 -16.257 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.904 -14.609 2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.297 -12.917 2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.043 -13.092 2.622 1.00 0.00 H new ATOM 1768 N ASN A 118 -12.028 -15.216 -1.140 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.734 -14.730 -2.314 1.00 0.00 C ATOM 1770 C ASN A 118 -12.615 -13.206 -2.381 1.00 0.00 C ATOM 1771 O ASN A 118 -12.721 -12.619 -3.456 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.221 -15.085 -2.248 1.00 0.00 C ATOM 1773 CG ASN A 118 -14.918 -14.323 -1.119 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -15.617 -13.347 -1.333 1.00 0.00 O ATOM 1775 ND2 ASN A 118 -14.688 -14.821 0.093 1.00 0.00 N ATOM 0 H ASN A 118 -12.441 -14.940 -0.249 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.290 -15.198 -3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -14.697 -14.848 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.336 -16.158 -2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -15.107 -14.382 0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -14.092 -15.642 0.203 1.00 0.00 H new ATOM 1782 N THR A 119 -12.395 -12.610 -1.218 1.00 0.00 N ATOM 1783 CA THR A 119 -12.260 -11.166 -1.132 1.00 0.00 C ATOM 1784 C THR A 119 -11.593 -10.771 0.187 1.00 0.00 C ATOM 1785 O THR A 119 -11.750 -11.457 1.196 1.00 0.00 O ATOM 1786 CB THR A 119 -13.648 -10.549 -1.320 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.394 -9.151 -1.429 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.518 -10.673 -0.067 1.00 0.00 C ATOM 0 H THR A 119 -12.307 -13.101 -0.328 1.00 0.00 H new ATOM 0 HA THR A 119 -11.609 -10.782 -1.917 1.00 0.00 H new ATOM 0 HB THR A 119 -14.149 -11.031 -2.159 1.00 0.00 H new ATOM 0 HG1 THR A 119 -14.241 -8.674 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.492 -10.220 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.650 -11.726 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.033 -10.162 0.765 1.00 0.00 H new ATOM 1796 N TRP A 120 -10.863 -9.666 0.136 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.171 -9.171 1.315 1.00 0.00 C ATOM 1798 C TRP A 120 -11.226 -8.744 2.337 1.00 0.00 C ATOM 1799 O TRP A 120 -11.013 -8.868 3.542 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.202 -8.046 0.949 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.838 -8.534 0.457 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.358 -8.515 -0.794 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.792 -9.117 1.262 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.084 -9.042 -0.854 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.729 -9.420 0.436 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.746 -9.381 2.642 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.542 -10.002 0.896 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.553 -9.963 3.087 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.473 -10.273 2.268 1.00 0.00 C ATOM 0 H TRP A 120 -10.736 -9.100 -0.703 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.554 -9.953 1.758 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.656 -7.427 0.175 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.055 -7.409 1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -7.900 -8.135 -1.648 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.509 -9.137 -1.691 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.566 -9.153 3.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.724 -10.230 0.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.465 -10.187 4.140 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.585 -10.721 2.688 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.340 -8.249 1.819 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.429 -7.802 2.672 1.00 0.00 C ATOM 1822 C GLY A 121 -13.828 -6.363 2.342 1.00 0.00 C ATOM 1823 O GLY A 121 -12.969 -5.514 2.110 1.00 0.00 O ATOM 0 H GLY A 121 -12.513 -8.147 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.289 -8.460 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.128 -7.869 3.717 1.00 0.00 H new ATOM 1827 N CYS A 122 -15.133 -6.132 2.332 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.657 -4.810 2.034 1.00 0.00 C ATOM 1829 C CYS A 122 -16.519 -4.358 3.214 1.00 0.00 C ATOM 1830 O CYS A 122 -16.532 -5.004 4.261 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.437 -4.794 0.718 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.680 -6.137 0.711 1.00 0.00 S ATOM 0 H CYS A 122 -15.843 -6.838 2.526 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.832 -4.111 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -16.930 -3.830 0.590 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.753 -4.916 -0.121 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.338 -6.113 -0.410 1.00 0.00 H new ATOM 1838 N GLY A 123 -17.219 -3.252 3.006 1.00 0.00 N ATOM 1839 CA GLY A 123 -18.082 -2.707 4.040 1.00 0.00 C ATOM 1840 C GLY A 123 -17.859 -1.202 4.202 1.00 0.00 C ATOM 1841 O GLY A 123 -18.033 -0.439 3.252 1.00 0.00 O ATOM 0 H GLY A 123 -17.206 -2.719 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.125 -2.899 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.886 -3.211 4.986 1.00 0.00 H new ATOM 1845 N SER A 124 -17.478 -0.819 5.412 1.00 0.00 N ATOM 1846 CA SER A 124 -17.230 0.581 5.710 1.00 0.00 C ATOM 1847 C SER A 124 -15.967 0.719 6.562 1.00 0.00 C ATOM 1848 O SER A 124 -15.082 1.512 6.243 1.00 0.00 O ATOM 1849 CB SER A 124 -18.425 1.212 6.428 1.00 0.00 C ATOM 1850 OG SER A 124 -18.772 0.500 7.613 1.00 0.00 O ATOM 0 H SER A 124 -17.335 -1.454 6.197 1.00 0.00 H new ATOM 0 HA SER A 124 -17.085 1.110 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.191 2.246 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.282 1.235 5.755 1.00 0.00 H new ATOM 0 HG SER A 124 -19.538 0.935 8.043 1.00 0.00 H new ATOM 1856 N SER A 125 -15.922 -0.066 7.629 1.00 0.00 N ATOM 1857 CA SER A 125 -14.782 -0.042 8.529 1.00 0.00 C ATOM 1858 C SER A 125 -13.953 -1.316 8.358 1.00 0.00 C ATOM 1859 O SER A 125 -14.393 -2.402 8.732 1.00 0.00 O ATOM 1860 CB SER A 125 -15.232 0.108 9.984 1.00 0.00 C ATOM 1861 OG SER A 125 -15.914 1.339 10.208 1.00 0.00 O ATOM 0 H SER A 125 -16.657 -0.723 7.890 1.00 0.00 H new ATOM 0 HA SER A 125 -14.166 0.821 8.277 1.00 0.00 H new ATOM 0 HB2 SER A 125 -15.887 -0.722 10.248 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.363 0.050 10.640 1.00 0.00 H new ATOM 0 HG SER A 125 -16.186 1.396 11.148 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.767 -1.141 7.792 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.873 -2.264 7.567 1.00 0.00 C ATOM 1869 C LEU A 126 -10.540 -1.996 8.268 1.00 0.00 C ATOM 1870 O LEU A 126 -10.177 -0.845 8.503 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.734 -2.547 6.070 1.00 0.00 C ATOM 1872 CG LEU A 126 -13.004 -2.373 5.234 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.675 -1.823 3.845 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.796 -3.680 5.161 1.00 0.00 C ATOM 0 H LEU A 126 -12.405 -0.239 7.483 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.287 -3.174 8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.964 -1.890 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.378 -3.570 5.945 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.640 -1.639 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.595 -1.709 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.186 -0.854 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.009 -2.514 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.693 -3.529 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.180 -4.454 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.080 -3.990 6.167 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.846 -3.080 8.584 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.560 -2.977 9.253 1.00 0.00 C ATOM 1888 C ARG A 127 -7.610 -4.065 8.749 1.00 0.00 C ATOM 1889 O ARG A 127 -7.870 -5.254 8.929 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.717 -3.110 10.769 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.405 -2.784 11.487 1.00 0.00 C ATOM 1892 CD ARG A 127 -7.520 -3.053 12.989 1.00 0.00 C ATOM 1893 NE ARG A 127 -6.389 -3.893 13.440 1.00 0.00 N ATOM 1894 CZ ARG A 127 -6.312 -5.217 13.249 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -7.301 -5.860 12.613 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -5.247 -5.898 13.693 1.00 0.00 N ATOM 0 H ARG A 127 -10.150 -4.034 8.389 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.146 -1.995 9.026 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.503 -2.439 11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -9.030 -4.124 11.018 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.598 -3.384 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.145 -1.739 11.320 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.525 -2.110 13.536 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -8.464 -3.553 13.206 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.619 -3.435 13.927 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.112 -5.342 12.275 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.243 -6.868 12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -4.494 -5.409 14.177 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.189 -6.906 13.547 1.00 0.00 H new ATOM 1910 N THR A 128 -6.529 -3.620 8.126 1.00 0.00 N ATOM 1911 CA THR A 128 -5.538 -4.541 7.595 1.00 0.00 C ATOM 1912 C THR A 128 -4.264 -4.499 8.440 1.00 0.00 C ATOM 1913 O THR A 128 -3.949 -3.476 9.046 1.00 0.00 O ATOM 1914 CB THR A 128 -5.305 -4.186 6.125 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.490 -4.628 5.468 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.193 -5.025 5.490 1.00 0.00 C ATOM 0 H THR A 128 -6.317 -2.633 7.977 1.00 0.00 H new ATOM 0 HA THR A 128 -5.888 -5.572 7.644 1.00 0.00 H new ATOM 0 HB THR A 128 -5.055 -3.128 6.043 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.841 -3.906 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.068 -4.734 4.447 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.260 -4.859 6.028 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.459 -6.081 5.542 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.564 -5.624 8.453 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.331 -5.730 9.213 1.00 0.00 C ATOM 1926 C ALA A 129 -1.398 -6.731 8.529 1.00 0.00 C ATOM 1927 O ALA A 129 -1.857 -7.650 7.852 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.652 -6.125 10.656 1.00 0.00 C ATOM 0 H ALA A 129 -3.828 -6.470 7.949 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.817 -4.769 9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.726 -6.204 11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.292 -5.367 11.107 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.167 -7.086 10.664 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.106 -6.520 8.729 1.00 0.00 N ATOM 1935 CA LEU A 130 0.895 -7.392 8.139 1.00 0.00 C ATOM 1936 C LEU A 130 1.707 -8.056 9.253 1.00 0.00 C ATOM 1937 O LEU A 130 2.189 -7.381 10.162 1.00 0.00 O ATOM 1938 CB LEU A 130 1.750 -6.622 7.130 1.00 0.00 C ATOM 1939 CG LEU A 130 2.895 -7.406 6.485 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.383 -8.283 5.341 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.014 -6.466 6.031 1.00 0.00 C ATOM 0 H LEU A 130 0.271 -5.757 9.292 1.00 0.00 H new ATOM 0 HA LEU A 130 0.417 -8.191 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.098 -6.252 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.170 -5.750 7.631 1.00 0.00 H new ATOM 0 HG LEU A 130 3.319 -8.073 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.217 -8.829 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.649 -8.991 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.918 -7.655 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.816 -7.048 5.576 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.621 -5.758 5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.404 -5.922 6.891 1.00 0.00 H new ATOM 1953 N ILE A 131 1.834 -9.371 9.146 1.00 0.00 N ATOM 1954 CA ILE A 131 2.579 -10.133 10.133 1.00 0.00 C ATOM 1955 C ILE A 131 3.853 -10.686 9.490 1.00 0.00 C ATOM 1956 O ILE A 131 3.862 -11.011 8.303 1.00 0.00 O ATOM 1957 CB ILE A 131 1.691 -11.209 10.761 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.317 -10.642 11.125 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.381 -11.857 11.964 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.449 -9.467 12.096 1.00 0.00 C ATOM 0 H ILE A 131 1.433 -9.927 8.391 1.00 0.00 H new ATOM 0 HA ILE A 131 2.890 -9.489 10.955 1.00 0.00 H new ATOM 0 HB ILE A 131 1.530 -11.993 10.021 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.197 -10.315 10.221 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.295 -11.423 11.575 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.728 -12.618 12.392 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.315 -12.319 11.643 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.592 -11.096 12.716 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.542 -9.082 12.339 1.00 0.00 H new ATOM 0 HD12 ILE A 131 0.941 -9.803 13.009 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.041 -8.678 11.633 1.00 0.00 H new ATOM 1972 N ASN A 132 4.897 -10.775 10.301 1.00 0.00 N ATOM 1973 CA ASN A 132 6.172 -11.282 9.825 1.00 0.00 C ATOM 1974 C ASN A 132 6.333 -12.739 10.265 1.00 0.00 C ATOM 1975 O ASN A 132 5.416 -13.322 10.841 1.00 0.00 O ATOM 1976 CB ASN A 132 7.337 -10.481 10.410 1.00 0.00 C ATOM 1977 CG ASN A 132 7.115 -10.198 11.898 1.00 0.00 C ATOM 1978 OD1 ASN A 132 7.680 -10.839 12.769 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.264 -9.205 12.138 1.00 0.00 N ATOM 0 H ASN A 132 4.886 -10.505 11.284 1.00 0.00 H new ATOM 0 HA ASN A 132 6.184 -11.196 8.739 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.267 -11.034 10.276 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.444 -9.541 9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.049 -8.938 13.099 1.00 0.00 H new ATOM 0 HD22 ASN A 132 5.826 -8.710 11.361 1.00 0.00 H new ATOM 1986 N SER A 133 7.505 -13.285 9.977 1.00 0.00 N ATOM 1987 CA SER A 133 7.798 -14.662 10.336 1.00 0.00 C ATOM 1988 C SER A 133 7.109 -15.017 11.655 1.00 0.00 C ATOM 1989 O SER A 133 6.380 -16.005 11.732 1.00 0.00 O ATOM 1990 CB SER A 133 9.306 -14.894 10.446 1.00 0.00 C ATOM 1991 OG SER A 133 9.762 -14.809 11.794 1.00 0.00 O ATOM 0 H SER A 133 8.263 -12.798 9.499 1.00 0.00 H new ATOM 0 HA SER A 133 7.415 -15.310 9.547 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.552 -15.876 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.832 -14.157 9.838 1.00 0.00 H new ATOM 0 HG SER A 133 10.729 -14.965 11.823 1.00 0.00 H new ATOM 1997 N THR A 134 7.363 -14.191 12.660 1.00 0.00 N ATOM 1998 CA THR A 134 6.775 -14.406 13.971 1.00 0.00 C ATOM 1999 C THR A 134 5.379 -13.783 14.039 1.00 0.00 C ATOM 2000 O THR A 134 5.054 -12.893 13.254 1.00 0.00 O ATOM 2001 CB THR A 134 7.741 -13.848 15.018 1.00 0.00 C ATOM 2002 OG1 THR A 134 7.953 -12.499 14.611 1.00 0.00 O ATOM 2003 CG2 THR A 134 9.129 -14.485 14.934 1.00 0.00 C ATOM 0 H THR A 134 7.968 -13.372 12.592 1.00 0.00 H new ATOM 0 HA THR A 134 6.632 -15.468 14.171 1.00 0.00 H new ATOM 0 HB THR A 134 7.328 -14.009 16.014 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.397 -12.302 13.828 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.774 -14.053 15.699 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.046 -15.560 15.094 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.557 -14.296 13.949 1.00 0.00 H new ATOM 2011 N GLY A 135 4.592 -14.276 14.983 1.00 0.00 N ATOM 2012 CA GLY A 135 3.238 -13.779 15.164 1.00 0.00 C ATOM 2013 C GLY A 135 3.247 -12.336 15.673 1.00 0.00 C ATOM 2014 O GLY A 135 2.757 -12.057 16.766 1.00 0.00 O ATOM 0 H GLY A 135 4.865 -15.015 15.631 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.698 -13.832 14.219 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.705 -14.415 15.871 1.00 0.00 H new ATOM 2018 N GLU A 136 3.810 -11.458 14.856 1.00 0.00 N ATOM 2019 CA GLU A 136 3.889 -10.051 15.210 1.00 0.00 C ATOM 2020 C GLU A 136 3.588 -9.179 13.989 1.00 0.00 C ATOM 2021 O GLU A 136 3.902 -9.555 12.861 1.00 0.00 O ATOM 2022 CB GLU A 136 5.258 -9.711 15.803 1.00 0.00 C ATOM 2023 CG GLU A 136 5.520 -8.204 15.747 1.00 0.00 C ATOM 2024 CD GLU A 136 6.895 -7.866 16.328 1.00 0.00 C ATOM 2025 OE1 GLU A 136 6.994 -7.844 17.574 1.00 0.00 O ATOM 2026 OE2 GLU A 136 7.814 -7.636 15.514 1.00 0.00 O ATOM 0 H GLU A 136 4.216 -11.694 13.950 1.00 0.00 H new ATOM 0 HA GLU A 136 3.138 -9.845 15.973 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.306 -10.054 16.836 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.038 -10.240 15.255 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.462 -7.859 14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.746 -7.675 16.303 1.00 0.00 H new ATOM 2033 N GLU A 137 2.983 -8.031 14.256 1.00 0.00 N ATOM 2034 CA GLU A 137 2.637 -7.103 13.194 1.00 0.00 C ATOM 2035 C GLU A 137 3.777 -6.108 12.965 1.00 0.00 C ATOM 2036 O GLU A 137 4.413 -5.658 13.916 1.00 0.00 O ATOM 2037 CB GLU A 137 1.329 -6.374 13.508 1.00 0.00 C ATOM 2038 CG GLU A 137 0.963 -5.397 12.388 1.00 0.00 C ATOM 2039 CD GLU A 137 0.799 -3.976 12.932 1.00 0.00 C ATOM 2040 OE1 GLU A 137 -0.257 -3.724 13.551 1.00 0.00 O ATOM 2041 OE2 GLU A 137 1.733 -3.174 12.715 1.00 0.00 O ATOM 0 H GLU A 137 2.724 -7.723 15.193 1.00 0.00 H new ATOM 0 HA GLU A 137 2.487 -7.672 12.276 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.526 -7.100 13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.427 -5.833 14.449 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.738 -5.410 11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.037 -5.716 11.910 1.00 0.00 H new ATOM 2048 N VAL A 138 4.000 -5.795 11.697 1.00 0.00 N ATOM 2049 CA VAL A 138 5.053 -4.863 11.331 1.00 0.00 C ATOM 2050 C VAL A 138 4.424 -3.553 10.852 1.00 0.00 C ATOM 2051 O VAL A 138 4.970 -2.476 11.087 1.00 0.00 O ATOM 2052 CB VAL A 138 5.976 -5.498 10.289 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.000 -6.420 10.953 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.169 -6.250 9.227 1.00 0.00 C ATOM 0 H VAL A 138 3.470 -6.170 10.911 1.00 0.00 H new ATOM 0 HA VAL A 138 5.674 -4.630 12.196 1.00 0.00 H new ATOM 0 HB VAL A 138 6.521 -4.696 9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.643 -6.858 10.190 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.607 -5.846 11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.481 -7.214 11.490 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.849 -6.692 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.586 -7.038 9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.497 -5.556 8.722 1.00 0.00 H new ATOM 2064 N ALA A 139 3.284 -3.688 10.190 1.00 0.00 N ATOM 2065 CA ALA A 139 2.575 -2.528 9.677 1.00 0.00 C ATOM 2066 C ALA A 139 1.076 -2.830 9.636 1.00 0.00 C ATOM 2067 O ALA A 139 0.673 -3.992 9.599 1.00 0.00 O ATOM 2068 CB ALA A 139 3.133 -2.156 8.302 1.00 0.00 C ATOM 0 H ALA A 139 2.834 -4.583 9.997 1.00 0.00 H new ATOM 0 HA ALA A 139 2.720 -1.668 10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.601 -1.286 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.194 -1.923 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.002 -2.994 7.617 1.00 0.00 H new ATOM 2074 N MET A 140 0.289 -1.763 9.643 1.00 0.00 N ATOM 2075 CA MET A 140 -1.157 -1.899 9.607 1.00 0.00 C ATOM 2076 C MET A 140 -1.792 -0.777 8.784 1.00 0.00 C ATOM 2077 O MET A 140 -1.254 0.327 8.712 1.00 0.00 O ATOM 2078 CB MET A 140 -1.709 -1.863 11.033 1.00 0.00 C ATOM 2079 CG MET A 140 -1.638 -0.448 11.612 1.00 0.00 C ATOM 2080 SD MET A 140 -2.175 -0.458 13.315 1.00 0.00 S ATOM 2081 CE MET A 140 -3.894 -0.028 13.100 1.00 0.00 C ATOM 0 H MET A 140 0.626 -0.801 9.673 1.00 0.00 H new ATOM 0 HA MET A 140 -1.403 -2.852 9.138 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.742 -2.210 11.036 1.00 0.00 H new ATOM 0 HB3 MET A 140 -1.142 -2.547 11.664 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.618 -0.070 11.546 1.00 0.00 H new ATOM 0 HG3 MET A 140 -2.266 0.225 11.028 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.384 0.010 14.073 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.968 0.947 12.618 1.00 0.00 H new ATOM 0 HE3 MET A 140 -4.382 -0.778 12.477 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.929 -1.098 8.183 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.644 -0.130 7.368 1.00 0.00 C ATOM 2093 C ARG A 141 -5.139 -0.163 7.694 1.00 0.00 C ATOM 2094 O ARG A 141 -5.871 -1.007 7.179 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.447 -0.413 5.878 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.967 0.747 5.026 1.00 0.00 C ATOM 2097 CD ARG A 141 -3.465 0.636 3.584 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.987 1.955 3.113 1.00 0.00 N ATOM 2099 CZ ARG A 141 -1.906 2.579 3.599 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -1.184 2.009 4.573 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -1.546 3.774 3.110 1.00 0.00 N ATOM 0 H ARG A 141 -3.372 -2.015 8.244 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.241 0.857 7.595 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.389 -0.575 5.672 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.969 -1.331 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -5.057 0.750 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -3.641 1.694 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.658 -0.095 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -4.266 0.278 2.938 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.514 2.418 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.457 1.099 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.361 2.485 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.095 4.208 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.723 4.249 3.480 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.547 0.765 8.546 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.941 0.853 8.945 1.00 0.00 C ATOM 2117 C LYS A 142 -7.671 1.832 8.024 1.00 0.00 C ATOM 2118 O LYS A 142 -7.303 3.003 7.939 1.00 0.00 O ATOM 2119 CB LYS A 142 -7.051 1.208 10.430 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.427 0.829 10.983 1.00 0.00 C ATOM 2121 CD LYS A 142 -8.515 1.125 12.482 1.00 0.00 C ATOM 2122 CE LYS A 142 -9.970 1.138 12.953 1.00 0.00 C ATOM 2123 NZ LYS A 142 -10.113 1.966 14.171 1.00 0.00 N ATOM 0 H LYS A 142 -4.937 1.463 8.971 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.431 -0.115 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.274 0.688 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.882 2.276 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.201 1.383 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.615 -0.230 10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.956 0.373 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.052 2.089 12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.611 1.529 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.301 0.120 13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.107 1.964 14.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -9.516 1.576 14.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -9.816 2.941 13.965 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.693 1.317 7.356 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.478 2.131 6.444 1.00 0.00 C ATOM 2139 C LEU A 143 -10.906 2.255 6.978 1.00 0.00 C ATOM 2140 O LEU A 143 -11.664 1.287 6.963 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.399 1.570 5.022 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.553 2.371 4.031 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -9.275 3.651 3.603 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -7.164 2.661 4.604 1.00 0.00 C ATOM 0 H LEU A 143 -8.995 0.346 7.428 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.070 3.140 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.000 0.557 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.412 1.494 4.626 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.412 1.766 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -8.652 4.202 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -10.221 3.393 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -9.467 4.271 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -6.583 3.232 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -7.263 3.237 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -6.655 1.721 4.818 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.230 3.455 7.437 1.00 0.00 N ATOM 2157 CA VAL A 144 -12.554 3.718 7.975 1.00 0.00 C ATOM 2158 C VAL A 144 -13.306 4.656 7.029 1.00 0.00 C ATOM 2159 O VAL A 144 -12.814 5.733 6.696 1.00 0.00 O ATOM 2160 CB VAL A 144 -12.440 4.268 9.398 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -13.769 4.134 10.145 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -11.309 3.580 10.164 1.00 0.00 C ATOM 0 H VAL A 144 -10.599 4.256 7.447 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.130 2.795 8.043 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.199 5.329 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -13.661 4.532 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -14.542 4.691 9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -14.052 3.083 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -11.250 3.990 11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -11.505 2.509 10.219 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -10.364 3.750 9.648 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.487 4.214 6.624 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.313 5.000 5.724 1.00 0.00 C ATOM 2174 C ARG A 145 -16.110 6.043 6.509 1.00 0.00 C ATOM 2175 O ARG A 145 -16.588 5.766 7.609 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.281 4.109 4.944 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.281 4.950 4.148 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.203 4.061 3.311 1.00 0.00 C ATOM 2179 NE ARG A 145 -19.261 4.881 2.680 1.00 0.00 N ATOM 2180 CZ ARG A 145 -20.163 4.404 1.811 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -20.140 3.109 1.465 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -21.087 5.221 1.289 1.00 0.00 N ATOM 0 H ARG A 145 -14.892 3.320 6.903 1.00 0.00 H new ATOM 0 HA ARG A 145 -14.650 5.500 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -15.721 3.465 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -16.817 3.457 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -17.876 5.556 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.744 5.639 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -17.626 3.545 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -18.653 3.294 3.942 1.00 0.00 H new ATOM 0 HE ARG A 145 -19.307 5.871 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -19.436 2.487 1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -20.826 2.746 0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -21.104 6.206 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -21.773 4.858 0.628 1.00 0.00 H new