USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 704 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 81 THR OG1 : rot 29:sc= 2.26 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 137:sc= 2.14 (180deg=1.1) USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 49 ASN : amide:sc= 1.07 K(o=2.2,f=0.13) USER MOD Set 3.2: A 50 ASN : amide:sc= 1.13 K(o=2.2,f=1) USER MOD Single : A 33 MET CE :methyl 161:sc= -0.243 (180deg=-0.95) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -111:sc= -0.009 (180deg=-1.66!) USER MOD Single : A 54 SER OG : rot -160:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 0.83 (180deg=0.693) USER MOD Single : A 56 SER OG : rot 71:sc= 0.457 USER MOD Single : A 59 CYS SG : rot 134:sc= 0.888 USER MOD Single : A 65 TYR OH : rot 51:sc= 1.2 USER MOD Single : A 67 ASN : amide:sc= -1.03 K(o=-1,f=-4.1!) USER MOD Single : A 70 THR OG1 : rot -76:sc= 0.489 USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= 1.33 (180deg=-0.0321) USER MOD Single : A 77 CYS SG : rot 49:sc= 1.68 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -1.72! C(o=-1.7!,f=-5.3!) USER MOD Single : A 98 HIS : no HD1:sc= -0.0459 K(o=-0.046,f=-2.8) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot -152:sc= 1.25 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 43:sc= 1.19 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot -44:sc= 1.17 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.226 USER MOD ----------------------------------------------------------------- ATOM 438 N ASP A 32 12.151 4.799 -1.901 1.00 0.00 N ATOM 439 CA ASP A 32 11.032 4.869 -0.969 1.00 0.00 C ATOM 440 C ASP A 32 9.718 4.647 -1.706 1.00 0.00 C ATOM 441 O ASP A 32 9.302 5.467 -2.524 1.00 0.00 O ATOM 442 CB ASP A 32 11.010 6.209 -0.237 1.00 0.00 C ATOM 443 CG ASP A 32 9.772 6.371 0.627 1.00 0.00 C ATOM 444 OD1 ASP A 32 9.634 5.641 1.631 1.00 0.00 O ATOM 445 OD2 ASP A 32 8.935 7.240 0.310 1.00 0.00 O ATOM 0 HA ASP A 32 11.159 4.081 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.900 6.295 0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.051 7.019 -0.965 1.00 0.00 H new ATOM 450 N MET A 33 9.077 3.522 -1.424 1.00 0.00 N ATOM 451 CA MET A 33 7.842 3.149 -2.097 1.00 0.00 C ATOM 452 C MET A 33 6.700 4.070 -1.693 1.00 0.00 C ATOM 453 O MET A 33 5.647 4.075 -2.324 1.00 0.00 O ATOM 454 CB MET A 33 7.480 1.696 -1.776 1.00 0.00 C ATOM 455 CG MET A 33 6.411 1.109 -2.681 1.00 0.00 C ATOM 456 SD MET A 33 6.871 1.173 -4.427 1.00 0.00 S ATOM 457 CE MET A 33 8.485 0.399 -4.364 1.00 0.00 C ATOM 0 H MET A 33 9.395 2.847 -0.728 1.00 0.00 H new ATOM 0 HA MET A 33 8.000 3.249 -3.171 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.379 1.084 -1.849 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.138 1.638 -0.743 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.226 0.074 -2.395 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.477 1.652 -2.534 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.762 0.054 -5.360 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.221 1.121 -4.012 1.00 0.00 H new ATOM 0 HE3 MET A 33 8.455 -0.450 -3.682 1.00 0.00 H new ATOM 467 N ARG A 34 6.907 4.863 -0.647 1.00 0.00 N ATOM 468 CA ARG A 34 5.867 5.778 -0.195 1.00 0.00 C ATOM 469 C ARG A 34 5.693 6.922 -1.191 1.00 0.00 C ATOM 470 O ARG A 34 4.638 7.538 -1.254 1.00 0.00 O ATOM 471 CB ARG A 34 6.153 6.339 1.200 1.00 0.00 C ATOM 472 CG ARG A 34 4.934 7.005 1.824 1.00 0.00 C ATOM 473 CD ARG A 34 5.270 7.747 3.106 1.00 0.00 C ATOM 474 NE ARG A 34 6.088 8.931 2.860 1.00 0.00 N ATOM 475 CZ ARG A 34 5.588 10.148 2.618 1.00 0.00 C ATOM 476 NH1 ARG A 34 4.275 10.323 2.506 1.00 0.00 N ATOM 477 NH2 ARG A 34 6.400 11.188 2.473 1.00 0.00 N ATOM 0 H ARG A 34 7.770 4.891 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 34 4.942 5.204 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.494 5.532 1.849 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.966 7.063 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.498 7.702 1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.178 6.248 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.347 8.042 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.799 7.077 3.784 1.00 0.00 H new ATOM 0 HE ARG A 34 7.102 8.824 2.873 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.644 9.528 2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.898 11.253 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.409 11.061 2.546 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.015 12.114 2.289 1.00 0.00 H new ATOM 491 N LEU A 35 6.723 7.196 -1.978 1.00 0.00 N ATOM 492 CA LEU A 35 6.619 8.187 -3.044 1.00 0.00 C ATOM 493 C LEU A 35 5.661 7.681 -4.107 1.00 0.00 C ATOM 494 O LEU A 35 4.781 8.405 -4.573 1.00 0.00 O ATOM 495 CB LEU A 35 7.989 8.444 -3.656 1.00 0.00 C ATOM 496 CG LEU A 35 9.100 8.572 -2.629 1.00 0.00 C ATOM 497 CD1 LEU A 35 10.463 8.552 -3.305 1.00 0.00 C ATOM 498 CD2 LEU A 35 8.929 9.843 -1.809 1.00 0.00 C ATOM 0 H LEU A 35 7.637 6.750 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 35 6.242 9.123 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.230 7.631 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.947 9.358 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 35 9.040 7.718 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.245 8.645 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.588 7.613 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.534 9.384 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.735 9.916 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.958 10.709 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.971 9.815 -1.290 1.00 0.00 H new ATOM 510 N GLU A 36 5.836 6.414 -4.466 1.00 0.00 N ATOM 511 CA GLU A 36 4.914 5.735 -5.357 1.00 0.00 C ATOM 512 C GLU A 36 3.545 5.658 -4.700 1.00 0.00 C ATOM 513 O GLU A 36 2.515 5.688 -5.370 1.00 0.00 O ATOM 514 CB GLU A 36 5.417 4.324 -5.666 1.00 0.00 C ATOM 515 CG GLU A 36 6.786 4.289 -6.325 1.00 0.00 C ATOM 516 CD GLU A 36 6.774 4.874 -7.718 1.00 0.00 C ATOM 517 OE1 GLU A 36 6.986 6.094 -7.856 1.00 0.00 O ATOM 518 OE2 GLU A 36 6.551 4.113 -8.683 1.00 0.00 O ATOM 0 H GLU A 36 6.615 5.837 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 36 4.843 6.294 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.456 3.752 -4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.698 3.827 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.496 4.841 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.137 3.258 -6.371 1.00 0.00 H new ATOM 525 N ALA A 37 3.548 5.592 -3.373 1.00 0.00 N ATOM 526 CA ALA A 37 2.311 5.471 -2.615 1.00 0.00 C ATOM 527 C ALA A 37 1.505 6.758 -2.706 1.00 0.00 C ATOM 528 O ALA A 37 0.316 6.729 -3.013 1.00 0.00 O ATOM 529 CB ALA A 37 2.593 5.113 -1.160 1.00 0.00 C ATOM 0 H ALA A 37 4.393 5.620 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 37 1.723 4.663 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.652 5.029 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.124 4.162 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.206 5.892 -0.706 1.00 0.00 H new ATOM 535 N GLU A 38 2.168 7.886 -2.457 1.00 0.00 N ATOM 536 CA GLU A 38 1.534 9.195 -2.562 1.00 0.00 C ATOM 537 C GLU A 38 0.987 9.406 -3.968 1.00 0.00 C ATOM 538 O GLU A 38 -0.114 9.936 -4.148 1.00 0.00 O ATOM 539 CB GLU A 38 2.535 10.309 -2.228 1.00 0.00 C ATOM 540 CG GLU A 38 3.146 10.195 -0.841 1.00 0.00 C ATOM 541 CD GLU A 38 2.111 10.219 0.262 1.00 0.00 C ATOM 542 OE1 GLU A 38 1.500 11.286 0.484 1.00 0.00 O ATOM 543 OE2 GLU A 38 1.925 9.181 0.923 1.00 0.00 O ATOM 0 H GLU A 38 3.149 7.917 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 38 0.712 9.232 -1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.335 10.299 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.033 11.273 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.717 9.269 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.849 11.014 -0.691 1.00 0.00 H new ATOM 550 N ALA A 39 1.762 8.977 -4.958 1.00 0.00 N ATOM 551 CA ALA A 39 1.350 9.067 -6.348 1.00 0.00 C ATOM 552 C ALA A 39 0.045 8.315 -6.575 1.00 0.00 C ATOM 553 O ALA A 39 -0.878 8.837 -7.195 1.00 0.00 O ATOM 554 CB ALA A 39 2.439 8.527 -7.258 1.00 0.00 C ATOM 0 H ALA A 39 2.683 8.562 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 39 1.184 10.117 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.115 8.601 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.350 9.109 -7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.634 7.483 -7.012 1.00 0.00 H new ATOM 560 N VAL A 40 -0.022 7.095 -6.058 1.00 0.00 N ATOM 561 CA VAL A 40 -1.220 6.272 -6.170 1.00 0.00 C ATOM 562 C VAL A 40 -2.394 6.904 -5.425 1.00 0.00 C ATOM 563 O VAL A 40 -3.484 7.048 -5.980 1.00 0.00 O ATOM 564 CB VAL A 40 -0.974 4.851 -5.620 1.00 0.00 C ATOM 565 CG1 VAL A 40 -2.269 4.057 -5.558 1.00 0.00 C ATOM 566 CG2 VAL A 40 0.051 4.120 -6.474 1.00 0.00 C ATOM 0 H VAL A 40 0.745 6.651 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.465 6.206 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.584 4.946 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.066 3.060 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.977 4.566 -4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.694 3.975 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.213 3.120 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.316 4.045 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.991 4.671 -6.465 1.00 0.00 H new ATOM 576 N VAL A 41 -2.157 7.294 -4.175 1.00 0.00 N ATOM 577 CA VAL A 41 -3.201 7.860 -3.323 1.00 0.00 C ATOM 578 C VAL A 41 -3.858 9.077 -3.974 1.00 0.00 C ATOM 579 O VAL A 41 -5.076 9.232 -3.929 1.00 0.00 O ATOM 580 CB VAL A 41 -2.644 8.253 -1.934 1.00 0.00 C ATOM 581 CG1 VAL A 41 -3.689 8.993 -1.114 1.00 0.00 C ATOM 582 CG2 VAL A 41 -2.167 7.018 -1.184 1.00 0.00 C ATOM 0 H VAL A 41 -1.243 7.228 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.955 7.084 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.797 8.921 -2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.270 9.257 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.988 9.900 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.560 8.353 -0.972 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.778 7.312 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.001 6.329 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.379 6.527 -1.756 1.00 0.00 H new ATOM 592 N ASN A 42 -3.055 9.933 -4.592 1.00 0.00 N ATOM 593 CA ASN A 42 -3.578 11.145 -5.215 1.00 0.00 C ATOM 594 C ASN A 42 -4.246 10.833 -6.551 1.00 0.00 C ATOM 595 O ASN A 42 -5.208 11.492 -6.945 1.00 0.00 O ATOM 596 CB ASN A 42 -2.456 12.172 -5.417 1.00 0.00 C ATOM 597 CG ASN A 42 -2.956 13.487 -5.993 1.00 0.00 C ATOM 598 OD1 ASN A 42 -3.410 14.362 -5.255 1.00 0.00 O ATOM 599 ND2 ASN A 42 -2.849 13.649 -7.303 1.00 0.00 N ATOM 0 H ASN A 42 -2.046 9.813 -4.676 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.329 11.566 -4.546 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.967 12.362 -4.461 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.702 11.753 -6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.148 14.523 -7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.467 12.900 -7.880 1.00 0.00 H new ATOM 606 N ASP A 43 -3.749 9.805 -7.222 1.00 0.00 N ATOM 607 CA ASP A 43 -4.182 9.484 -8.580 1.00 0.00 C ATOM 608 C ASP A 43 -5.560 8.823 -8.598 1.00 0.00 C ATOM 609 O ASP A 43 -6.432 9.219 -9.370 1.00 0.00 O ATOM 610 CB ASP A 43 -3.151 8.571 -9.248 1.00 0.00 C ATOM 611 CG ASP A 43 -3.426 8.324 -10.717 1.00 0.00 C ATOM 612 OD1 ASP A 43 -3.325 9.281 -11.519 1.00 0.00 O ATOM 613 OD2 ASP A 43 -3.689 7.165 -11.088 1.00 0.00 O ATOM 0 H ASP A 43 -3.041 9.173 -6.848 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.261 10.418 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.161 9.015 -9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.130 7.615 -8.724 1.00 0.00 H new ATOM 618 N VAL A 44 -5.763 7.831 -7.737 1.00 0.00 N ATOM 619 CA VAL A 44 -7.003 7.053 -7.753 1.00 0.00 C ATOM 620 C VAL A 44 -7.908 7.397 -6.570 1.00 0.00 C ATOM 621 O VAL A 44 -8.864 6.674 -6.282 1.00 0.00 O ATOM 622 CB VAL A 44 -6.721 5.533 -7.749 1.00 0.00 C ATOM 623 CG1 VAL A 44 -5.939 5.130 -8.990 1.00 0.00 C ATOM 624 CG2 VAL A 44 -5.972 5.119 -6.488 1.00 0.00 C ATOM 0 H VAL A 44 -5.092 7.546 -7.023 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.516 7.319 -8.677 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.679 5.013 -7.760 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.750 4.057 -8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.516 5.379 -9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.989 5.665 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.787 4.045 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.022 5.650 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.571 5.365 -5.611 1.00 0.00 H new ATOM 634 N LEU A 45 -7.625 8.518 -5.914 1.00 0.00 N ATOM 635 CA LEU A 45 -8.387 8.944 -4.736 1.00 0.00 C ATOM 636 C LEU A 45 -9.880 9.055 -5.039 1.00 0.00 C ATOM 637 O LEU A 45 -10.722 8.688 -4.218 1.00 0.00 O ATOM 638 CB LEU A 45 -7.873 10.297 -4.232 1.00 0.00 C ATOM 639 CG LEU A 45 -8.535 10.810 -2.950 1.00 0.00 C ATOM 640 CD1 LEU A 45 -8.279 9.852 -1.796 1.00 0.00 C ATOM 641 CD2 LEU A 45 -8.026 12.202 -2.612 1.00 0.00 C ATOM 0 H LEU A 45 -6.871 9.153 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.247 8.184 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.799 10.219 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.018 11.038 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.611 10.866 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.757 10.233 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.691 8.872 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.206 9.763 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.506 12.553 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.946 12.169 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.260 12.884 -3.430 1.00 0.00 H new ATOM 653 N PHE A 46 -10.200 9.540 -6.232 1.00 0.00 N ATOM 654 CA PHE A 46 -11.586 9.798 -6.611 1.00 0.00 C ATOM 655 C PHE A 46 -12.345 8.495 -6.874 1.00 0.00 C ATOM 656 O PHE A 46 -13.571 8.499 -6.993 1.00 0.00 O ATOM 657 CB PHE A 46 -11.645 10.703 -7.852 1.00 0.00 C ATOM 658 CG PHE A 46 -11.156 10.051 -9.116 1.00 0.00 C ATOM 659 CD1 PHE A 46 -9.801 9.875 -9.348 1.00 0.00 C ATOM 660 CD2 PHE A 46 -12.057 9.619 -10.076 1.00 0.00 C ATOM 661 CE1 PHE A 46 -9.357 9.276 -10.512 1.00 0.00 C ATOM 662 CE2 PHE A 46 -11.618 9.021 -11.239 1.00 0.00 C ATOM 663 CZ PHE A 46 -10.266 8.848 -11.458 1.00 0.00 C ATOM 0 H PHE A 46 -9.518 9.764 -6.956 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.068 10.307 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.674 11.030 -8.000 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.050 11.597 -7.664 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.085 10.209 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.116 9.752 -9.912 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.299 9.143 -10.681 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.332 8.688 -11.978 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.921 8.379 -12.367 1.00 0.00 H new ATOM 673 N ALA A 47 -11.623 7.381 -6.942 1.00 0.00 N ATOM 674 CA ALA A 47 -12.234 6.090 -7.242 1.00 0.00 C ATOM 675 C ALA A 47 -12.812 5.447 -5.985 1.00 0.00 C ATOM 676 O ALA A 47 -13.719 4.618 -6.058 1.00 0.00 O ATOM 677 CB ALA A 47 -11.221 5.166 -7.900 1.00 0.00 C ATOM 0 H ALA A 47 -10.614 7.346 -6.794 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.056 6.258 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.691 4.207 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.867 5.616 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.378 5.012 -7.227 1.00 0.00 H new ATOM 683 N VAL A 48 -12.318 5.870 -4.831 1.00 0.00 N ATOM 684 CA VAL A 48 -12.756 5.316 -3.554 1.00 0.00 C ATOM 685 C VAL A 48 -13.358 6.406 -2.683 1.00 0.00 C ATOM 686 O VAL A 48 -13.663 7.495 -3.174 1.00 0.00 O ATOM 687 CB VAL A 48 -11.604 4.621 -2.795 1.00 0.00 C ATOM 688 CG1 VAL A 48 -11.126 3.398 -3.556 1.00 0.00 C ATOM 689 CG2 VAL A 48 -10.453 5.582 -2.543 1.00 0.00 C ATOM 0 H VAL A 48 -11.609 6.599 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.512 4.563 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.986 4.298 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.314 2.922 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.951 2.694 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.769 3.699 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.657 5.064 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.070 5.949 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.805 6.423 -1.945 1.00 0.00 H new ATOM 699 N ASN A 49 -13.571 6.100 -1.413 1.00 0.00 N ATOM 700 CA ASN A 49 -14.124 7.069 -0.480 1.00 0.00 C ATOM 701 C ASN A 49 -12.999 7.934 0.068 1.00 0.00 C ATOM 702 O ASN A 49 -12.996 9.154 -0.099 1.00 0.00 O ATOM 703 CB ASN A 49 -14.838 6.357 0.671 1.00 0.00 C ATOM 704 CG ASN A 49 -15.806 7.263 1.414 1.00 0.00 C ATOM 705 OD1 ASN A 49 -16.460 8.115 0.813 1.00 0.00 O ATOM 706 ND2 ASN A 49 -15.892 7.099 2.725 1.00 0.00 N ATOM 0 H ASN A 49 -13.369 5.188 -1.004 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.849 7.694 -1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.381 5.497 0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.096 5.974 1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.517 7.690 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.333 6.381 3.187 1.00 0.00 H new ATOM 713 N ASN A 50 -12.030 7.278 0.692 1.00 0.00 N ATOM 714 CA ASN A 50 -10.861 7.951 1.257 1.00 0.00 C ATOM 715 C ASN A 50 -9.637 7.063 1.078 1.00 0.00 C ATOM 716 O ASN A 50 -9.774 5.855 0.871 1.00 0.00 O ATOM 717 CB ASN A 50 -11.059 8.261 2.750 1.00 0.00 C ATOM 718 CG ASN A 50 -12.212 9.214 3.019 1.00 0.00 C ATOM 719 OD1 ASN A 50 -12.063 10.436 2.930 1.00 0.00 O ATOM 720 ND2 ASN A 50 -13.361 8.668 3.395 1.00 0.00 N ATOM 0 H ASN A 50 -12.029 6.266 0.822 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.721 8.896 0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.234 7.329 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.141 8.691 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.158 9.263 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.447 7.654 3.457 1.00 0.00 H new ATOM 727 N MET A 51 -8.445 7.645 1.160 1.00 0.00 N ATOM 728 CA MET A 51 -7.214 6.885 0.970 1.00 0.00 C ATOM 729 C MET A 51 -6.012 7.662 1.504 1.00 0.00 C ATOM 730 O MET A 51 -5.913 8.874 1.306 1.00 0.00 O ATOM 731 CB MET A 51 -7.015 6.577 -0.516 1.00 0.00 C ATOM 732 CG MET A 51 -5.963 5.518 -0.784 1.00 0.00 C ATOM 733 SD MET A 51 -5.793 5.143 -2.539 1.00 0.00 S ATOM 734 CE MET A 51 -4.783 3.669 -2.460 1.00 0.00 C ATOM 0 H MET A 51 -8.305 8.636 1.356 1.00 0.00 H new ATOM 0 HA MET A 51 -7.297 5.950 1.524 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.964 6.249 -0.940 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.734 7.494 -1.034 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.003 5.857 -0.393 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.223 4.607 -0.245 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.789 3.888 -2.850 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.702 3.339 -1.424 1.00 0.00 H new ATOM 0 HE3 MET A 51 -5.242 2.881 -3.057 1.00 0.00 H new ATOM 744 N PHE A 52 -5.117 6.963 2.199 1.00 0.00 N ATOM 745 CA PHE A 52 -3.913 7.576 2.759 1.00 0.00 C ATOM 746 C PHE A 52 -2.892 6.490 3.104 1.00 0.00 C ATOM 747 O PHE A 52 -3.274 5.371 3.421 1.00 0.00 O ATOM 748 CB PHE A 52 -4.279 8.387 4.008 1.00 0.00 C ATOM 749 CG PHE A 52 -3.141 9.179 4.588 1.00 0.00 C ATOM 750 CD1 PHE A 52 -2.519 10.173 3.844 1.00 0.00 C ATOM 751 CD2 PHE A 52 -2.692 8.933 5.875 1.00 0.00 C ATOM 752 CE1 PHE A 52 -1.473 10.903 4.376 1.00 0.00 C ATOM 753 CE2 PHE A 52 -1.646 9.661 6.411 1.00 0.00 C ATOM 754 CZ PHE A 52 -1.036 10.647 5.661 1.00 0.00 C ATOM 0 H PHE A 52 -5.204 5.965 2.389 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.471 8.248 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.091 9.070 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.658 7.706 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.856 10.378 2.839 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.165 8.163 6.467 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.997 11.673 3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.306 9.459 7.416 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.219 11.217 6.078 1.00 0.00 H new ATOM 764 N VAL A 53 -1.602 6.807 3.030 1.00 0.00 N ATOM 765 CA VAL A 53 -0.562 5.848 3.409 1.00 0.00 C ATOM 766 C VAL A 53 -0.702 5.474 4.891 1.00 0.00 C ATOM 767 O VAL A 53 -1.120 6.299 5.705 1.00 0.00 O ATOM 768 CB VAL A 53 0.858 6.413 3.130 1.00 0.00 C ATOM 769 CG1 VAL A 53 1.078 7.728 3.865 1.00 0.00 C ATOM 770 CG2 VAL A 53 1.936 5.402 3.501 1.00 0.00 C ATOM 0 H VAL A 53 -1.251 7.711 2.714 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.692 4.953 2.800 1.00 0.00 H new ATOM 0 HB VAL A 53 0.931 6.606 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.080 8.101 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.341 8.459 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.971 7.567 4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.919 5.826 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.860 5.162 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.802 4.494 2.913 1.00 0.00 H new ATOM 780 N SER A 54 -0.385 4.227 5.232 1.00 0.00 N ATOM 781 CA SER A 54 -0.505 3.760 6.606 1.00 0.00 C ATOM 782 C SER A 54 0.435 4.541 7.520 1.00 0.00 C ATOM 783 O SER A 54 1.593 4.785 7.180 1.00 0.00 O ATOM 784 CB SER A 54 -0.203 2.267 6.683 1.00 0.00 C ATOM 785 OG SER A 54 -1.046 1.534 5.810 1.00 0.00 O ATOM 0 H SER A 54 -0.044 3.525 4.575 1.00 0.00 H new ATOM 0 HA SER A 54 -1.528 3.927 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.840 2.089 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.340 1.917 7.706 1.00 0.00 H new ATOM 0 HG SER A 54 -1.070 0.595 6.090 1.00 0.00 H new ATOM 791 N LYS A 55 -0.066 4.912 8.685 1.00 0.00 N ATOM 792 CA LYS A 55 0.649 5.816 9.575 1.00 0.00 C ATOM 793 C LYS A 55 1.193 5.084 10.795 1.00 0.00 C ATOM 794 O LYS A 55 1.892 5.667 11.624 1.00 0.00 O ATOM 795 CB LYS A 55 -0.292 6.938 10.021 1.00 0.00 C ATOM 796 CG LYS A 55 -1.544 6.425 10.716 1.00 0.00 C ATOM 797 CD LYS A 55 -2.499 7.549 11.073 1.00 0.00 C ATOM 798 CE LYS A 55 -3.754 7.007 11.737 1.00 0.00 C ATOM 799 NZ LYS A 55 -4.512 6.090 10.842 1.00 0.00 N ATOM 0 H LYS A 55 -0.970 4.600 9.040 1.00 0.00 H new ATOM 0 HA LYS A 55 1.496 6.233 9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.243 7.606 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.582 7.528 9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.051 5.711 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.261 5.888 11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.004 8.253 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.769 8.101 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.480 6.477 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.395 7.838 12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.438 5.879 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.650 6.544 9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.978 5.206 10.718 1.00 0.00 H new ATOM 813 N SER A 56 0.875 3.804 10.907 1.00 0.00 N ATOM 814 CA SER A 56 1.248 3.044 12.086 1.00 0.00 C ATOM 815 C SER A 56 2.326 2.020 11.756 1.00 0.00 C ATOM 816 O SER A 56 2.690 1.191 12.590 1.00 0.00 O ATOM 817 CB SER A 56 0.011 2.348 12.648 1.00 0.00 C ATOM 818 OG SER A 56 -1.083 3.251 12.711 1.00 0.00 O ATOM 0 H SER A 56 0.364 3.274 10.201 1.00 0.00 H new ATOM 0 HA SER A 56 1.654 3.727 12.832 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.250 1.495 12.021 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.226 1.959 13.643 1.00 0.00 H new ATOM 0 HG SER A 56 -1.401 3.444 11.804 1.00 0.00 H new ATOM 824 N LEU A 57 2.852 2.090 10.542 1.00 0.00 N ATOM 825 CA LEU A 57 3.803 1.100 10.079 1.00 0.00 C ATOM 826 C LEU A 57 5.050 1.767 9.516 1.00 0.00 C ATOM 827 O LEU A 57 5.438 2.847 9.957 1.00 0.00 O ATOM 828 CB LEU A 57 3.156 0.184 9.033 1.00 0.00 C ATOM 829 CG LEU A 57 1.937 -0.602 9.526 1.00 0.00 C ATOM 830 CD1 LEU A 57 0.651 0.161 9.262 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.881 -1.964 8.873 1.00 0.00 C ATOM 0 H LEU A 57 2.635 2.821 9.864 1.00 0.00 H new ATOM 0 HA LEU A 57 4.104 0.490 10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.857 0.789 8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.906 -0.523 8.678 1.00 0.00 H new ATOM 0 HG LEU A 57 2.039 -0.735 10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.198 -0.421 9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.682 1.118 9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.544 0.334 8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.008 -2.506 9.237 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.811 -1.846 7.792 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.784 -2.523 9.119 1.00 0.00 H new ATOM 843 N ARG A 58 5.662 1.124 8.537 1.00 0.00 N ATOM 844 CA ARG A 58 6.955 1.547 8.028 1.00 0.00 C ATOM 845 C ARG A 58 7.029 1.367 6.519 1.00 0.00 C ATOM 846 O ARG A 58 6.238 0.623 5.935 1.00 0.00 O ATOM 847 CB ARG A 58 8.056 0.723 8.699 1.00 0.00 C ATOM 848 CG ARG A 58 7.931 -0.770 8.432 1.00 0.00 C ATOM 849 CD ARG A 58 8.884 -1.578 9.295 1.00 0.00 C ATOM 850 NE ARG A 58 8.788 -3.017 9.032 1.00 0.00 N ATOM 851 CZ ARG A 58 7.954 -3.844 9.670 1.00 0.00 C ATOM 852 NH1 ARG A 58 7.094 -3.377 10.565 1.00 0.00 N ATOM 853 NH2 ARG A 58 7.970 -5.141 9.398 1.00 0.00 N ATOM 0 H ARG A 58 5.280 0.299 8.075 1.00 0.00 H new ATOM 0 HA ARG A 58 7.091 2.605 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.027 1.069 8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.028 0.897 9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.907 -1.089 8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.135 -0.970 7.380 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.906 -1.245 9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.669 -1.388 10.346 1.00 0.00 H new ATOM 0 HE ARG A 58 9.397 -3.413 8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.065 -2.379 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.462 -4.016 11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.619 -5.508 8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.334 -5.772 9.885 1.00 0.00 H new ATOM 867 N CYS A 59 7.978 2.049 5.895 1.00 0.00 N ATOM 868 CA CYS A 59 8.246 1.865 4.481 1.00 0.00 C ATOM 869 C CYS A 59 9.746 1.704 4.248 1.00 0.00 C ATOM 870 O CYS A 59 10.489 2.680 4.152 1.00 0.00 O ATOM 871 CB CYS A 59 7.677 3.022 3.646 1.00 0.00 C ATOM 872 SG CYS A 59 8.270 4.669 4.107 1.00 0.00 S ATOM 0 H CYS A 59 8.577 2.738 6.351 1.00 0.00 H new ATOM 0 HA CYS A 59 7.744 0.955 4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.919 2.846 2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.590 3.008 3.728 1.00 0.00 H new ATOM 0 HG CYS A 59 8.604 5.326 3.036 1.00 0.00 H new ATOM 878 N ALA A 60 10.193 0.459 4.183 1.00 0.00 N ATOM 879 CA ALA A 60 11.607 0.168 4.019 1.00 0.00 C ATOM 880 C ALA A 60 11.948 0.029 2.547 1.00 0.00 C ATOM 881 O ALA A 60 12.170 -1.082 2.052 1.00 0.00 O ATOM 882 CB ALA A 60 11.987 -1.089 4.784 1.00 0.00 C ATOM 0 H ALA A 60 9.596 -0.366 4.241 1.00 0.00 H new ATOM 0 HA ALA A 60 12.183 0.998 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.050 -1.290 4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.777 -0.947 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.408 -1.932 4.409 1.00 0.00 H new ATOM 888 N ASP A 61 11.955 1.171 1.860 1.00 0.00 N ATOM 889 CA ASP A 61 12.194 1.242 0.419 1.00 0.00 C ATOM 890 C ASP A 61 11.147 0.451 -0.354 1.00 0.00 C ATOM 891 O ASP A 61 10.134 0.998 -0.767 1.00 0.00 O ATOM 892 CB ASP A 61 13.598 0.744 0.051 1.00 0.00 C ATOM 893 CG ASP A 61 14.671 1.807 0.187 1.00 0.00 C ATOM 894 OD1 ASP A 61 14.846 2.348 1.297 1.00 0.00 O ATOM 895 OD2 ASP A 61 15.358 2.090 -0.821 1.00 0.00 O ATOM 0 H ASP A 61 11.794 2.081 2.292 1.00 0.00 H new ATOM 0 HA ASP A 61 12.119 2.293 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.853 -0.103 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.588 0.378 -0.976 1.00 0.00 H new ATOM 900 N ASP A 62 11.380 -0.844 -0.494 1.00 0.00 N ATOM 901 CA ASP A 62 10.560 -1.697 -1.352 1.00 0.00 C ATOM 902 C ASP A 62 9.132 -1.833 -0.829 1.00 0.00 C ATOM 903 O ASP A 62 8.187 -1.907 -1.609 1.00 0.00 O ATOM 904 CB ASP A 62 11.208 -3.080 -1.481 1.00 0.00 C ATOM 905 CG ASP A 62 10.341 -4.089 -2.211 1.00 0.00 C ATOM 906 OD1 ASP A 62 10.068 -3.900 -3.417 1.00 0.00 O ATOM 907 OD2 ASP A 62 9.949 -5.096 -1.585 1.00 0.00 O ATOM 0 H ASP A 62 12.138 -1.336 -0.020 1.00 0.00 H new ATOM 0 HA ASP A 62 10.504 -1.224 -2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.157 -2.980 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.435 -3.461 -0.485 1.00 0.00 H new ATOM 912 N VAL A 63 8.976 -1.848 0.486 1.00 0.00 N ATOM 913 CA VAL A 63 7.671 -2.092 1.086 1.00 0.00 C ATOM 914 C VAL A 63 7.074 -0.817 1.687 1.00 0.00 C ATOM 915 O VAL A 63 7.686 -0.170 2.534 1.00 0.00 O ATOM 916 CB VAL A 63 7.750 -3.203 2.166 1.00 0.00 C ATOM 917 CG1 VAL A 63 8.789 -2.867 3.225 1.00 0.00 C ATOM 918 CG2 VAL A 63 6.388 -3.436 2.804 1.00 0.00 C ATOM 0 H VAL A 63 9.731 -1.695 1.155 1.00 0.00 H new ATOM 0 HA VAL A 63 7.012 -2.428 0.285 1.00 0.00 H new ATOM 0 HB VAL A 63 8.059 -4.125 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.822 -3.664 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.768 -2.768 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.523 -1.928 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.469 -4.219 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.044 -2.514 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.675 -3.741 2.038 1.00 0.00 H new ATOM 928 N ALA A 64 5.886 -0.452 1.219 1.00 0.00 N ATOM 929 CA ALA A 64 5.127 0.650 1.800 1.00 0.00 C ATOM 930 C ALA A 64 3.674 0.238 1.992 1.00 0.00 C ATOM 931 O ALA A 64 3.029 -0.239 1.060 1.00 0.00 O ATOM 932 CB ALA A 64 5.206 1.895 0.927 1.00 0.00 C ATOM 0 H ALA A 64 5.424 -0.908 0.432 1.00 0.00 H new ATOM 0 HA ALA A 64 5.565 0.889 2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.631 2.699 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.246 2.204 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.798 1.674 -0.059 1.00 0.00 H new ATOM 938 N TYR A 65 3.161 0.410 3.199 1.00 0.00 N ATOM 939 CA TYR A 65 1.790 0.031 3.491 1.00 0.00 C ATOM 940 C TYR A 65 0.839 1.190 3.223 1.00 0.00 C ATOM 941 O TYR A 65 1.066 2.312 3.669 1.00 0.00 O ATOM 942 CB TYR A 65 1.669 -0.449 4.938 1.00 0.00 C ATOM 943 CG TYR A 65 2.431 -1.727 5.202 1.00 0.00 C ATOM 944 CD1 TYR A 65 1.855 -2.962 4.939 1.00 0.00 C ATOM 945 CD2 TYR A 65 3.729 -1.700 5.699 1.00 0.00 C ATOM 946 CE1 TYR A 65 2.547 -4.134 5.162 1.00 0.00 C ATOM 947 CE2 TYR A 65 4.428 -2.869 5.929 1.00 0.00 C ATOM 948 CZ TYR A 65 3.832 -4.084 5.656 1.00 0.00 C ATOM 949 OH TYR A 65 4.526 -5.255 5.864 1.00 0.00 O ATOM 0 H TYR A 65 3.671 0.807 3.988 1.00 0.00 H new ATOM 0 HA TYR A 65 1.511 -0.790 2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.036 0.331 5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.617 -0.604 5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.847 -3.006 4.553 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.198 -0.750 5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.084 -5.086 4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.434 -2.833 6.320 1.00 0.00 H new ATOM 0 HH TYR A 65 4.489 -5.806 5.054 1.00 0.00 H new ATOM 959 N ILE A 66 -0.217 0.911 2.473 1.00 0.00 N ATOM 960 CA ILE A 66 -1.200 1.921 2.121 1.00 0.00 C ATOM 961 C ILE A 66 -2.554 1.579 2.731 1.00 0.00 C ATOM 962 O ILE A 66 -2.969 0.420 2.734 1.00 0.00 O ATOM 963 CB ILE A 66 -1.356 2.048 0.589 1.00 0.00 C ATOM 964 CG1 ILE A 66 0.002 2.292 -0.072 1.00 0.00 C ATOM 965 CG2 ILE A 66 -2.327 3.172 0.240 1.00 0.00 C ATOM 966 CD1 ILE A 66 -0.061 2.355 -1.583 1.00 0.00 C ATOM 0 H ILE A 66 -0.415 -0.015 2.094 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.845 2.872 2.517 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.762 1.111 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.417 3.227 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.688 1.497 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.424 3.246 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.302 2.959 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.950 4.115 0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.938 2.530 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.446 1.412 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.720 3.168 -1.886 1.00 0.00 H new ATOM 978 N ASN A 67 -3.226 2.591 3.251 1.00 0.00 N ATOM 979 CA ASN A 67 -4.554 2.431 3.819 1.00 0.00 C ATOM 980 C ASN A 67 -5.579 2.988 2.832 1.00 0.00 C ATOM 981 O ASN A 67 -5.408 4.091 2.307 1.00 0.00 O ATOM 982 CB ASN A 67 -4.628 3.175 5.156 1.00 0.00 C ATOM 983 CG ASN A 67 -5.827 2.790 5.999 1.00 0.00 C ATOM 984 OD1 ASN A 67 -6.870 2.386 5.489 1.00 0.00 O ATOM 985 ND2 ASN A 67 -5.686 2.926 7.308 1.00 0.00 N ATOM 0 H ASN A 67 -2.868 3.545 3.292 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.768 1.377 3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.718 2.978 5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.659 4.248 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.459 2.692 7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.804 3.264 7.694 1.00 0.00 H new ATOM 992 N VAL A 68 -6.629 2.233 2.567 1.00 0.00 N ATOM 993 CA VAL A 68 -7.589 2.620 1.543 1.00 0.00 C ATOM 994 C VAL A 68 -9.011 2.281 1.967 1.00 0.00 C ATOM 995 O VAL A 68 -9.261 1.244 2.577 1.00 0.00 O ATOM 996 CB VAL A 68 -7.271 1.946 0.184 1.00 0.00 C ATOM 997 CG1 VAL A 68 -7.351 0.430 0.286 1.00 0.00 C ATOM 998 CG2 VAL A 68 -8.199 2.458 -0.913 1.00 0.00 C ATOM 0 H VAL A 68 -6.840 1.355 3.041 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.507 3.700 1.420 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.248 2.213 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.123 -0.012 -0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.631 0.077 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.356 0.138 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.953 1.968 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.233 2.237 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.075 3.536 -1.021 1.00 0.00 H new ATOM 1008 N GLU A 69 -9.932 3.174 1.643 1.00 0.00 N ATOM 1009 CA GLU A 69 -11.336 2.975 1.949 1.00 0.00 C ATOM 1010 C GLU A 69 -12.169 3.064 0.677 1.00 0.00 C ATOM 1011 O GLU A 69 -12.325 4.137 0.095 1.00 0.00 O ATOM 1012 CB GLU A 69 -11.817 4.004 2.973 1.00 0.00 C ATOM 1013 CG GLU A 69 -13.288 3.864 3.333 1.00 0.00 C ATOM 1014 CD GLU A 69 -13.718 4.834 4.410 1.00 0.00 C ATOM 1015 OE1 GLU A 69 -13.841 6.039 4.115 1.00 0.00 O ATOM 1016 OE2 GLU A 69 -13.934 4.393 5.557 1.00 0.00 O ATOM 0 H GLU A 69 -9.728 4.051 1.164 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.458 1.981 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.219 3.909 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.642 5.005 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.893 4.025 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.481 2.845 3.669 1.00 0.00 H new ATOM 1023 N THR A 70 -12.682 1.923 0.249 1.00 0.00 N ATOM 1024 CA THR A 70 -13.530 1.841 -0.933 1.00 0.00 C ATOM 1025 C THR A 70 -14.822 2.639 -0.746 1.00 0.00 C ATOM 1026 O THR A 70 -15.125 3.093 0.357 1.00 0.00 O ATOM 1027 CB THR A 70 -13.877 0.372 -1.237 1.00 0.00 C ATOM 1028 OG1 THR A 70 -14.494 -0.227 -0.090 1.00 0.00 O ATOM 1029 CG2 THR A 70 -12.628 -0.414 -1.608 1.00 0.00 C ATOM 0 H THR A 70 -12.524 1.027 0.709 1.00 0.00 H new ATOM 0 HA THR A 70 -12.976 2.268 -1.769 1.00 0.00 H new ATOM 0 HB THR A 70 -14.566 0.350 -2.081 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.811 -0.420 0.586 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.898 -1.449 -1.818 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.169 0.028 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.920 -0.385 -0.779 1.00 0.00 H new ATOM 1037 N LYS A 71 -15.596 2.801 -1.817 1.00 0.00 N ATOM 1038 CA LYS A 71 -16.858 3.535 -1.729 1.00 0.00 C ATOM 1039 C LYS A 71 -17.934 2.706 -1.035 1.00 0.00 C ATOM 1040 O LYS A 71 -19.050 3.174 -0.826 1.00 0.00 O ATOM 1041 CB LYS A 71 -17.339 3.988 -3.109 1.00 0.00 C ATOM 1042 CG LYS A 71 -16.670 5.265 -3.590 1.00 0.00 C ATOM 1043 CD LYS A 71 -17.300 5.778 -4.875 1.00 0.00 C ATOM 1044 CE LYS A 71 -16.781 7.161 -5.245 1.00 0.00 C ATOM 1045 NZ LYS A 71 -15.309 7.178 -5.431 1.00 0.00 N ATOM 0 H LYS A 71 -15.376 2.439 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.672 4.424 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -17.150 3.193 -3.831 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.418 4.141 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.746 6.029 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.608 5.081 -3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.090 5.081 -5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.383 5.815 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.265 7.495 -6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.055 7.870 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.057 7.895 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.848 7.409 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.989 6.243 -5.754 1.00 0.00 H new ATOM 1059 N GLU A 72 -17.592 1.473 -0.681 1.00 0.00 N ATOM 1060 CA GLU A 72 -18.462 0.650 0.145 1.00 0.00 C ATOM 1061 C GLU A 72 -18.018 0.779 1.602 1.00 0.00 C ATOM 1062 O GLU A 72 -18.541 0.114 2.494 1.00 0.00 O ATOM 1063 CB GLU A 72 -18.405 -0.818 -0.301 1.00 0.00 C ATOM 1064 CG GLU A 72 -19.522 -1.680 0.273 1.00 0.00 C ATOM 1065 CD GLU A 72 -19.332 -3.156 -0.015 1.00 0.00 C ATOM 1066 OE1 GLU A 72 -19.189 -3.521 -1.200 1.00 0.00 O ATOM 1067 OE2 GLU A 72 -19.339 -3.959 0.940 1.00 0.00 O ATOM 0 H GLU A 72 -16.718 1.023 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.492 0.991 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.450 -0.859 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.445 -1.241 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.574 -1.529 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.476 -1.354 -0.141 1.00 0.00 H new ATOM 1074 N ARG A 73 -17.019 1.640 1.816 1.00 0.00 N ATOM 1075 CA ARG A 73 -16.442 1.890 3.136 1.00 0.00 C ATOM 1076 C ARG A 73 -15.706 0.667 3.672 1.00 0.00 C ATOM 1077 O ARG A 73 -15.378 0.595 4.855 1.00 0.00 O ATOM 1078 CB ARG A 73 -17.508 2.373 4.121 1.00 0.00 C ATOM 1079 CG ARG A 73 -17.679 3.884 4.129 1.00 0.00 C ATOM 1080 CD ARG A 73 -19.008 4.291 4.739 1.00 0.00 C ATOM 1081 NE ARG A 73 -20.112 4.111 3.795 1.00 0.00 N ATOM 1082 CZ ARG A 73 -21.052 3.173 3.904 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -21.016 2.296 4.903 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -22.028 3.112 3.005 1.00 0.00 N ATOM 0 H ARG A 73 -16.586 2.186 1.071 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.705 2.685 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -18.461 1.908 3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -17.244 2.039 5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.864 4.340 4.692 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -17.614 4.264 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -19.194 3.699 5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -18.962 5.334 5.051 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.165 4.747 2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.265 2.339 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.739 1.581 4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -22.055 3.781 2.236 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.750 2.396 3.084 1.00 0.00 H new ATOM 1098 N ASN A 74 -15.427 -0.281 2.790 1.00 0.00 N ATOM 1099 CA ASN A 74 -14.565 -1.403 3.136 1.00 0.00 C ATOM 1100 C ASN A 74 -13.124 -0.939 3.092 1.00 0.00 C ATOM 1101 O ASN A 74 -12.621 -0.561 2.028 1.00 0.00 O ATOM 1102 CB ASN A 74 -14.750 -2.585 2.173 1.00 0.00 C ATOM 1103 CG ASN A 74 -15.972 -3.435 2.475 1.00 0.00 C ATOM 1104 OD1 ASN A 74 -17.030 -2.816 2.967 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 -15.961 -4.646 2.250 1.00 0.00 N flip ATOM 0 H ASN A 74 -15.782 -0.297 1.834 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.833 -1.746 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.827 -2.204 1.155 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.862 -3.215 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.123 -5.086 1.870 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.790 -5.208 2.444 1.00 0.00 H new ATOM 1112 N ARG A 75 -12.471 -0.938 4.241 1.00 0.00 N ATOM 1113 CA ARG A 75 -11.106 -0.459 4.332 1.00 0.00 C ATOM 1114 C ARG A 75 -10.133 -1.616 4.243 1.00 0.00 C ATOM 1115 O ARG A 75 -10.344 -2.666 4.843 1.00 0.00 O ATOM 1116 CB ARG A 75 -10.895 0.330 5.625 1.00 0.00 C ATOM 1117 CG ARG A 75 -11.706 1.614 5.673 1.00 0.00 C ATOM 1118 CD ARG A 75 -11.492 2.380 6.968 1.00 0.00 C ATOM 1119 NE ARG A 75 -12.002 1.653 8.129 1.00 0.00 N ATOM 1120 CZ ARG A 75 -12.409 2.238 9.257 1.00 0.00 C ATOM 1121 NH1 ARG A 75 -12.380 3.560 9.382 1.00 0.00 N ATOM 1122 NH2 ARG A 75 -12.859 1.499 10.267 1.00 0.00 N ATOM 0 H ARG A 75 -12.866 -1.264 5.123 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.919 0.211 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.165 -0.296 6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.837 0.570 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.432 2.247 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.764 1.378 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.428 2.575 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.987 3.349 6.901 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.050 0.636 8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.044 4.138 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.693 3.997 10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.893 0.483 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.170 1.948 11.129 1.00 0.00 H new ATOM 1136 N TYR A 76 -9.085 -1.426 3.467 1.00 0.00 N ATOM 1137 CA TYR A 76 -8.085 -2.456 3.269 1.00 0.00 C ATOM 1138 C TYR A 76 -6.697 -1.888 3.504 1.00 0.00 C ATOM 1139 O TYR A 76 -6.454 -0.703 3.268 1.00 0.00 O ATOM 1140 CB TYR A 76 -8.171 -3.029 1.849 1.00 0.00 C ATOM 1141 CG TYR A 76 -9.409 -3.859 1.579 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -10.584 -3.272 1.123 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -9.395 -5.234 1.766 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -11.710 -4.033 0.866 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -10.515 -6.002 1.509 1.00 0.00 C ATOM 1146 CZ TYR A 76 -11.670 -5.398 1.058 1.00 0.00 C ATOM 1147 OH TYR A 76 -12.786 -6.163 0.799 1.00 0.00 O ATOM 0 H TYR A 76 -8.903 -0.560 2.959 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.274 -3.257 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.139 -2.205 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.290 -3.644 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.618 -2.204 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.493 -5.712 2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.616 -3.560 0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.486 -7.071 1.661 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.588 -7.104 0.985 1.00 0.00 H new ATOM 1157 N CYS A 77 -5.801 -2.726 3.986 1.00 0.00 N ATOM 1158 CA CYS A 77 -4.410 -2.350 4.132 1.00 0.00 C ATOM 1159 C CYS A 77 -3.576 -3.084 3.095 1.00 0.00 C ATOM 1160 O CYS A 77 -3.508 -4.315 3.085 1.00 0.00 O ATOM 1161 CB CYS A 77 -3.913 -2.649 5.544 1.00 0.00 C ATOM 1162 SG CYS A 77 -4.720 -1.654 6.822 1.00 0.00 S ATOM 0 H CYS A 77 -6.014 -3.678 4.285 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.312 -1.277 3.970 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -4.075 -3.705 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -2.838 -2.476 5.586 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.008 -1.689 6.650 1.00 0.00 H new ATOM 1168 N LEU A 78 -2.967 -2.320 2.214 1.00 0.00 N ATOM 1169 CA LEU A 78 -2.270 -2.875 1.072 1.00 0.00 C ATOM 1170 C LEU A 78 -0.767 -2.785 1.265 1.00 0.00 C ATOM 1171 O LEU A 78 -0.247 -1.740 1.652 1.00 0.00 O ATOM 1172 CB LEU A 78 -2.671 -2.114 -0.190 1.00 0.00 C ATOM 1173 CG LEU A 78 -4.179 -1.961 -0.400 1.00 0.00 C ATOM 1174 CD1 LEU A 78 -4.459 -1.019 -1.556 1.00 0.00 C ATOM 1175 CD2 LEU A 78 -4.831 -3.314 -0.647 1.00 0.00 C ATOM 0 H LEU A 78 -2.940 -1.302 2.268 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.545 -3.925 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.221 -1.122 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.249 -2.626 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.609 -1.537 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.536 -0.921 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.030 -0.041 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.013 -1.418 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.903 -3.180 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.397 -3.770 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.660 -3.962 0.212 1.00 0.00 H new ATOM 1187 N GLU A 79 -0.073 -3.876 0.999 1.00 0.00 N ATOM 1188 CA GLU A 79 1.376 -3.867 1.045 1.00 0.00 C ATOM 1189 C GLU A 79 1.922 -3.613 -0.351 1.00 0.00 C ATOM 1190 O GLU A 79 1.940 -4.513 -1.197 1.00 0.00 O ATOM 1191 CB GLU A 79 1.925 -5.185 1.595 1.00 0.00 C ATOM 1192 CG GLU A 79 3.437 -5.180 1.750 1.00 0.00 C ATOM 1193 CD GLU A 79 3.984 -6.498 2.254 1.00 0.00 C ATOM 1194 OE1 GLU A 79 4.156 -7.422 1.434 1.00 0.00 O ATOM 1195 OE2 GLU A 79 4.271 -6.602 3.466 1.00 0.00 O ATOM 0 H GLU A 79 -0.487 -4.774 0.750 1.00 0.00 H new ATOM 0 HA GLU A 79 1.696 -3.070 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.467 -5.387 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.636 -5.998 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.895 -4.947 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.723 -4.386 2.440 1.00 0.00 H new ATOM 1202 N LEU A 80 2.328 -2.380 -0.598 1.00 0.00 N ATOM 1203 CA LEU A 80 2.853 -1.996 -1.892 1.00 0.00 C ATOM 1204 C LEU A 80 4.346 -2.269 -1.957 1.00 0.00 C ATOM 1205 O LEU A 80 5.130 -1.686 -1.206 1.00 0.00 O ATOM 1206 CB LEU A 80 2.575 -0.517 -2.180 1.00 0.00 C ATOM 1207 CG LEU A 80 3.155 0.011 -3.496 1.00 0.00 C ATOM 1208 CD1 LEU A 80 2.581 -0.744 -4.684 1.00 0.00 C ATOM 1209 CD2 LEU A 80 2.888 1.501 -3.635 1.00 0.00 C ATOM 0 H LEU A 80 2.303 -1.625 0.087 1.00 0.00 H new ATOM 0 HA LEU A 80 2.350 -2.593 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.496 -0.361 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.976 0.078 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 80 4.233 -0.150 -3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.008 -0.350 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.824 -1.803 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.498 -0.621 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.307 1.860 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.813 1.681 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.353 2.033 -2.805 1.00 0.00 H new ATOM 1221 N THR A 81 4.718 -3.181 -2.835 1.00 0.00 N ATOM 1222 CA THR A 81 6.111 -3.470 -3.108 1.00 0.00 C ATOM 1223 C THR A 81 6.367 -3.318 -4.606 1.00 0.00 C ATOM 1224 O THR A 81 5.415 -3.266 -5.389 1.00 0.00 O ATOM 1225 CB THR A 81 6.493 -4.887 -2.625 1.00 0.00 C ATOM 1226 OG1 THR A 81 5.476 -5.833 -2.991 1.00 0.00 O ATOM 1227 CG2 THR A 81 6.683 -4.914 -1.116 1.00 0.00 C ATOM 0 H THR A 81 4.062 -3.742 -3.379 1.00 0.00 H new ATOM 0 HA THR A 81 6.735 -2.764 -2.560 1.00 0.00 H new ATOM 0 HB THR A 81 7.433 -5.159 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.024 -5.529 -3.806 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.951 -5.922 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.478 -4.223 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 81 5.755 -4.616 -0.627 1.00 0.00 H new ATOM 1235 N GLU A 82 7.630 -3.239 -5.014 1.00 0.00 N ATOM 1236 CA GLU A 82 7.948 -3.004 -6.420 1.00 0.00 C ATOM 1237 C GLU A 82 7.468 -4.168 -7.294 1.00 0.00 C ATOM 1238 O GLU A 82 7.174 -3.991 -8.477 1.00 0.00 O ATOM 1239 CB GLU A 82 9.451 -2.777 -6.611 1.00 0.00 C ATOM 1240 CG GLU A 82 9.812 -2.280 -8.002 1.00 0.00 C ATOM 1241 CD GLU A 82 11.300 -2.078 -8.195 1.00 0.00 C ATOM 1242 OE1 GLU A 82 11.991 -3.055 -8.551 1.00 0.00 O ATOM 1243 OE2 GLU A 82 11.781 -0.939 -8.011 1.00 0.00 O ATOM 0 H GLU A 82 8.440 -3.333 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 82 7.422 -2.102 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.799 -2.054 -5.873 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.980 -3.710 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.450 -2.994 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.297 -1.338 -8.189 1.00 0.00 H new ATOM 1250 N ALA A 83 7.377 -5.353 -6.705 1.00 0.00 N ATOM 1251 CA ALA A 83 6.913 -6.533 -7.430 1.00 0.00 C ATOM 1252 C ALA A 83 5.386 -6.591 -7.504 1.00 0.00 C ATOM 1253 O ALA A 83 4.824 -7.452 -8.184 1.00 0.00 O ATOM 1254 CB ALA A 83 7.455 -7.796 -6.783 1.00 0.00 C ATOM 0 H ALA A 83 7.617 -5.525 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 83 7.291 -6.461 -8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.101 -8.668 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.545 -7.774 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.109 -7.854 -5.751 1.00 0.00 H new ATOM 1260 N GLY A 84 4.717 -5.678 -6.813 1.00 0.00 N ATOM 1261 CA GLY A 84 3.265 -5.663 -6.812 1.00 0.00 C ATOM 1262 C GLY A 84 2.696 -5.352 -5.441 1.00 0.00 C ATOM 1263 O GLY A 84 3.443 -5.095 -4.497 1.00 0.00 O ATOM 0 H GLY A 84 5.153 -4.946 -6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.911 -4.921 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.893 -6.631 -7.147 1.00 0.00 H new ATOM 1267 N LEU A 85 1.379 -5.379 -5.323 1.00 0.00 N ATOM 1268 CA LEU A 85 0.723 -5.073 -4.060 1.00 0.00 C ATOM 1269 C LEU A 85 -0.247 -6.181 -3.663 1.00 0.00 C ATOM 1270 O LEU A 85 -0.858 -6.820 -4.520 1.00 0.00 O ATOM 1271 CB LEU A 85 0.001 -3.717 -4.131 1.00 0.00 C ATOM 1272 CG LEU A 85 -0.307 -3.180 -5.537 1.00 0.00 C ATOM 1273 CD1 LEU A 85 -1.305 -4.069 -6.269 1.00 0.00 C ATOM 1274 CD2 LEU A 85 -0.828 -1.753 -5.446 1.00 0.00 C ATOM 0 H LEU A 85 0.742 -5.609 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 85 1.493 -5.008 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.938 -3.801 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.609 -2.978 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 85 0.619 -3.185 -6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.499 -3.659 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.894 -5.074 -6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.237 -4.111 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.044 -1.380 -6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.739 -1.736 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.075 -1.120 -4.977 1.00 0.00 H new ATOM 1286 N LYS A 86 -0.360 -6.421 -2.359 1.00 0.00 N ATOM 1287 CA LYS A 86 -1.249 -7.458 -1.841 1.00 0.00 C ATOM 1288 C LYS A 86 -2.084 -6.906 -0.690 1.00 0.00 C ATOM 1289 O LYS A 86 -1.730 -5.889 -0.089 1.00 0.00 O ATOM 1290 CB LYS A 86 -0.472 -8.689 -1.335 1.00 0.00 C ATOM 1291 CG LYS A 86 0.895 -8.915 -1.967 1.00 0.00 C ATOM 1292 CD LYS A 86 1.988 -8.076 -1.312 1.00 0.00 C ATOM 1293 CE LYS A 86 3.366 -8.512 -1.783 1.00 0.00 C ATOM 1294 NZ LYS A 86 4.454 -7.730 -1.143 1.00 0.00 N ATOM 0 H LYS A 86 0.154 -5.911 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.890 -7.767 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.342 -8.595 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.082 -9.576 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.157 -9.970 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.845 -8.675 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.835 -7.023 -1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.924 -8.171 -0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.505 -9.571 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.430 -8.400 -2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.224 -8.371 -0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.817 -7.025 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.084 -7.245 -0.301 1.00 0.00 H new ATOM 1308 N VAL A 87 -3.184 -7.580 -0.386 1.00 0.00 N ATOM 1309 CA VAL A 87 -4.022 -7.204 0.745 1.00 0.00 C ATOM 1310 C VAL A 87 -3.523 -7.885 2.018 1.00 0.00 C ATOM 1311 O VAL A 87 -3.625 -9.105 2.156 1.00 0.00 O ATOM 1312 CB VAL A 87 -5.499 -7.594 0.508 1.00 0.00 C ATOM 1313 CG1 VAL A 87 -6.365 -7.197 1.697 1.00 0.00 C ATOM 1314 CG2 VAL A 87 -6.023 -6.964 -0.774 1.00 0.00 C ATOM 0 H VAL A 87 -3.518 -8.391 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.961 -6.121 0.854 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.549 -8.678 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.399 -7.482 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.008 -7.706 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.308 -6.119 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.064 -7.251 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.953 -5.879 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.428 -7.310 -1.619 1.00 0.00 H new ATOM 1324 N VAL A 88 -2.975 -7.104 2.938 1.00 0.00 N ATOM 1325 CA VAL A 88 -2.432 -7.657 4.176 1.00 0.00 C ATOM 1326 C VAL A 88 -3.292 -7.288 5.380 1.00 0.00 C ATOM 1327 O VAL A 88 -2.980 -7.646 6.517 1.00 0.00 O ATOM 1328 CB VAL A 88 -0.982 -7.190 4.420 1.00 0.00 C ATOM 1329 CG1 VAL A 88 -0.045 -7.800 3.394 1.00 0.00 C ATOM 1330 CG2 VAL A 88 -0.887 -5.673 4.386 1.00 0.00 C ATOM 0 H VAL A 88 -2.894 -6.091 2.854 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.437 -8.741 4.059 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.681 -7.529 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.973 -7.459 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.083 -8.887 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.351 -7.493 2.394 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.145 -5.369 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.212 -5.310 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.526 -5.251 5.162 1.00 0.00 H new ATOM 1340 N GLY A 89 -4.377 -6.577 5.125 1.00 0.00 N ATOM 1341 CA GLY A 89 -5.280 -6.202 6.190 1.00 0.00 C ATOM 1342 C GLY A 89 -6.602 -5.702 5.661 1.00 0.00 C ATOM 1343 O GLY A 89 -6.707 -5.337 4.490 1.00 0.00 O ATOM 0 H GLY A 89 -4.649 -6.252 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.451 -7.061 6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.818 -5.427 6.801 1.00 0.00 H new ATOM 1347 N TYR A 90 -7.606 -5.675 6.522 1.00 0.00 N ATOM 1348 CA TYR A 90 -8.937 -5.222 6.142 1.00 0.00 C ATOM 1349 C TYR A 90 -9.531 -4.340 7.231 1.00 0.00 C ATOM 1350 O TYR A 90 -10.691 -4.486 7.622 1.00 0.00 O ATOM 1351 CB TYR A 90 -9.861 -6.409 5.828 1.00 0.00 C ATOM 1352 CG TYR A 90 -9.737 -7.580 6.785 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -10.457 -7.623 7.974 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -8.907 -8.654 6.485 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -10.347 -8.698 8.836 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -8.796 -9.732 7.338 1.00 0.00 C ATOM 1357 CZ TYR A 90 -9.516 -9.750 8.512 1.00 0.00 C ATOM 1358 OH TYR A 90 -9.417 -10.827 9.363 1.00 0.00 O ATOM 0 H TYR A 90 -7.525 -5.964 7.497 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.845 -4.628 5.232 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.894 -6.060 5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.649 -6.759 4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.113 -6.803 8.228 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.338 -8.644 5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.909 -8.714 9.758 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.148 -10.558 7.087 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.792 -11.483 8.990 1.00 0.00 H new ATOM 1368 N ALA A 91 -8.713 -3.419 7.713 1.00 0.00 N ATOM 1369 CA ALA A 91 -9.135 -2.441 8.697 1.00 0.00 C ATOM 1370 C ALA A 91 -8.330 -1.160 8.520 1.00 0.00 C ATOM 1371 O ALA A 91 -7.639 -0.994 7.513 1.00 0.00 O ATOM 1372 CB ALA A 91 -8.979 -2.998 10.107 1.00 0.00 C ATOM 0 H ALA A 91 -7.737 -3.330 7.431 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.190 -2.213 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.301 -2.250 10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.591 -3.894 10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.934 -3.250 10.285 1.00 0.00 H new ATOM 1378 N PHE A 92 -8.409 -0.262 9.487 1.00 0.00 N ATOM 1379 CA PHE A 92 -7.714 1.011 9.401 1.00 0.00 C ATOM 1380 C PHE A 92 -6.370 0.908 10.121 1.00 0.00 C ATOM 1381 O PHE A 92 -6.320 0.890 11.352 1.00 0.00 O ATOM 1382 CB PHE A 92 -8.587 2.112 10.010 1.00 0.00 C ATOM 1383 CG PHE A 92 -8.342 3.482 9.444 1.00 0.00 C ATOM 1384 CD1 PHE A 92 -8.557 3.740 8.098 1.00 0.00 C ATOM 1385 CD2 PHE A 92 -7.908 4.515 10.256 1.00 0.00 C ATOM 1386 CE1 PHE A 92 -8.342 5.000 7.576 1.00 0.00 C ATOM 1387 CE2 PHE A 92 -7.695 5.778 9.740 1.00 0.00 C ATOM 1388 CZ PHE A 92 -7.913 6.020 8.399 1.00 0.00 C ATOM 0 H PHE A 92 -8.949 -0.391 10.343 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.524 1.264 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -9.635 1.852 9.860 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.416 2.141 11.086 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.897 2.945 7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.734 4.331 11.306 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.509 5.186 6.525 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.358 6.576 10.385 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.748 7.008 7.994 1.00 0.00 H new ATOM 1398 N ASP A 93 -5.294 0.812 9.336 1.00 0.00 N ATOM 1399 CA ASP A 93 -3.943 0.578 9.862 1.00 0.00 C ATOM 1400 C ASP A 93 -3.884 -0.761 10.585 1.00 0.00 C ATOM 1401 O ASP A 93 -3.644 -0.828 11.792 1.00 0.00 O ATOM 1402 CB ASP A 93 -3.479 1.706 10.798 1.00 0.00 C ATOM 1403 CG ASP A 93 -3.033 2.958 10.062 1.00 0.00 C ATOM 1404 OD1 ASP A 93 -3.899 3.733 9.602 1.00 0.00 O ATOM 1405 OD2 ASP A 93 -1.807 3.190 9.968 1.00 0.00 O ATOM 0 H ASP A 93 -5.332 0.894 8.320 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.263 0.562 9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.293 1.963 11.476 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.655 1.342 11.412 1.00 0.00 H new ATOM 1410 N GLN A 94 -4.116 -1.830 9.835 1.00 0.00 N ATOM 1411 CA GLN A 94 -4.171 -3.167 10.397 1.00 0.00 C ATOM 1412 C GLN A 94 -3.571 -4.179 9.427 1.00 0.00 C ATOM 1413 O GLN A 94 -4.087 -4.384 8.330 1.00 0.00 O ATOM 1414 CB GLN A 94 -5.628 -3.519 10.734 1.00 0.00 C ATOM 1415 CG GLN A 94 -5.825 -4.895 11.356 1.00 0.00 C ATOM 1416 CD GLN A 94 -6.066 -5.989 10.332 1.00 0.00 C ATOM 1417 OE1 GLN A 94 -6.630 -5.752 9.263 1.00 0.00 O ATOM 1418 NE2 GLN A 94 -5.646 -7.202 10.654 1.00 0.00 N ATOM 0 H GLN A 94 -4.270 -1.793 8.827 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.582 -3.199 11.313 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.020 -2.767 11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.222 -3.460 9.822 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.945 -5.148 11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.670 -4.858 12.043 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.183 -7.360 11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -5.786 -7.978 10.007 1.00 0.00 H new ATOM 1427 N VAL A 95 -2.473 -4.795 9.834 1.00 0.00 N ATOM 1428 CA VAL A 95 -1.816 -5.817 9.031 1.00 0.00 C ATOM 1429 C VAL A 95 -1.701 -7.106 9.835 1.00 0.00 C ATOM 1430 O VAL A 95 -1.032 -7.141 10.871 1.00 0.00 O ATOM 1431 CB VAL A 95 -0.414 -5.359 8.571 1.00 0.00 C ATOM 1432 CG1 VAL A 95 0.329 -6.485 7.865 1.00 0.00 C ATOM 1433 CG2 VAL A 95 -0.530 -4.147 7.660 1.00 0.00 C ATOM 0 H VAL A 95 -2.013 -4.603 10.724 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.422 -5.990 8.141 1.00 0.00 H new ATOM 0 HB VAL A 95 0.159 -5.083 9.456 1.00 0.00 H new ATOM 0 HG11 VAL A 95 1.312 -6.133 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.445 -7.328 8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.238 -6.802 6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.465 -3.834 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.126 -4.406 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.012 -3.332 8.199 1.00 0.00 H new ATOM 1443 N ASP A 96 -2.364 -8.153 9.368 1.00 0.00 N ATOM 1444 CA ASP A 96 -2.417 -9.405 10.108 1.00 0.00 C ATOM 1445 C ASP A 96 -1.561 -10.476 9.447 1.00 0.00 C ATOM 1446 O ASP A 96 -1.512 -10.588 8.223 1.00 0.00 O ATOM 1447 CB ASP A 96 -3.860 -9.891 10.241 1.00 0.00 C ATOM 1448 CG ASP A 96 -3.965 -11.204 10.987 1.00 0.00 C ATOM 1449 OD1 ASP A 96 -3.706 -11.231 12.206 1.00 0.00 O ATOM 1450 OD2 ASP A 96 -4.315 -12.214 10.361 1.00 0.00 O ATOM 0 H ASP A 96 -2.871 -8.161 8.483 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.015 -9.217 11.104 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.448 -9.134 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.294 -10.006 9.248 1.00 0.00 H new ATOM 1455 N ASP A 97 -0.898 -11.261 10.282 1.00 0.00 N ATOM 1456 CA ASP A 97 0.011 -12.310 9.832 1.00 0.00 C ATOM 1457 C ASP A 97 -0.726 -13.455 9.132 1.00 0.00 C ATOM 1458 O ASP A 97 -0.146 -14.172 8.321 1.00 0.00 O ATOM 1459 CB ASP A 97 0.782 -12.852 11.040 1.00 0.00 C ATOM 1460 CG ASP A 97 1.684 -14.018 10.697 1.00 0.00 C ATOM 1461 OD1 ASP A 97 2.839 -13.781 10.291 1.00 0.00 O ATOM 1462 OD2 ASP A 97 1.251 -15.179 10.852 1.00 0.00 O ATOM 0 H ASP A 97 -0.974 -11.190 11.297 1.00 0.00 H new ATOM 0 HA ASP A 97 0.695 -11.874 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.383 -12.050 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.072 -13.163 11.806 1.00 0.00 H new ATOM 1467 N HIS A 98 -2.012 -13.606 9.421 1.00 0.00 N ATOM 1468 CA HIS A 98 -2.753 -14.781 8.969 1.00 0.00 C ATOM 1469 C HIS A 98 -3.282 -14.612 7.549 1.00 0.00 C ATOM 1470 O HIS A 98 -3.803 -15.562 6.963 1.00 0.00 O ATOM 1471 CB HIS A 98 -3.907 -15.090 9.921 1.00 0.00 C ATOM 1472 CG HIS A 98 -3.479 -15.245 11.347 1.00 0.00 C ATOM 1473 ND1 HIS A 98 -3.585 -14.235 12.279 1.00 0.00 N ATOM 1474 CD2 HIS A 98 -2.943 -16.300 11.998 1.00 0.00 C ATOM 1475 CE1 HIS A 98 -3.132 -14.665 13.441 1.00 0.00 C ATOM 1476 NE2 HIS A 98 -2.736 -15.916 13.299 1.00 0.00 N ATOM 0 H HIS A 98 -2.561 -12.938 9.961 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.054 -15.618 8.967 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -4.645 -14.291 9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.400 -16.006 9.596 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.719 -17.267 11.573 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.092 -14.090 14.354 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -2.341 -16.501 14.035 1.00 0.00 H new ATOM 1485 N LEU A 99 -3.174 -13.410 6.995 1.00 0.00 N ATOM 1486 CA LEU A 99 -3.571 -13.196 5.608 1.00 0.00 C ATOM 1487 C LEU A 99 -2.504 -13.719 4.659 1.00 0.00 C ATOM 1488 O LEU A 99 -1.409 -13.163 4.559 1.00 0.00 O ATOM 1489 CB LEU A 99 -3.863 -11.722 5.307 1.00 0.00 C ATOM 1490 CG LEU A 99 -5.265 -11.239 5.691 1.00 0.00 C ATOM 1491 CD1 LEU A 99 -5.389 -11.079 7.195 1.00 0.00 C ATOM 1492 CD2 LEU A 99 -5.597 -9.936 4.979 1.00 0.00 C ATOM 0 H LEU A 99 -2.821 -12.582 7.474 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.496 -13.752 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.130 -11.109 5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.717 -11.551 4.240 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.984 -11.994 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.393 -10.735 7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.204 -12.038 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.659 -10.349 7.545 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.597 -9.610 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.872 -9.173 5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.561 -10.091 3.901 1.00 0.00 H new ATOM 1504 N GLN A 100 -2.828 -14.807 3.984 1.00 0.00 N ATOM 1505 CA GLN A 100 -1.941 -15.397 3.001 1.00 0.00 C ATOM 1506 C GLN A 100 -2.489 -15.126 1.604 1.00 0.00 C ATOM 1507 O GLN A 100 -3.003 -16.020 0.926 1.00 0.00 O ATOM 1508 CB GLN A 100 -1.804 -16.898 3.265 1.00 0.00 C ATOM 1509 CG GLN A 100 -0.770 -17.597 2.403 1.00 0.00 C ATOM 1510 CD GLN A 100 -0.662 -19.070 2.732 1.00 0.00 C ATOM 1511 OE1 GLN A 100 -1.368 -19.901 2.159 1.00 0.00 O ATOM 1512 NE2 GLN A 100 0.216 -19.408 3.662 1.00 0.00 N ATOM 0 H GLN A 100 -3.711 -15.304 4.102 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.949 -14.951 3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.545 -17.047 4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.772 -17.372 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.034 -17.478 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 100 0.201 -17.122 2.544 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.782 -18.690 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.327 -20.387 3.927 1.00 0.00 H new ATOM 1521 N THR A 101 -2.408 -13.873 1.198 1.00 0.00 N ATOM 1522 CA THR A 101 -2.981 -13.435 -0.059 1.00 0.00 C ATOM 1523 C THR A 101 -1.954 -13.476 -1.188 1.00 0.00 C ATOM 1524 O THR A 101 -0.744 -13.469 -0.942 1.00 0.00 O ATOM 1525 CB THR A 101 -3.539 -12.008 0.083 1.00 0.00 C ATOM 1526 OG1 THR A 101 -2.586 -11.186 0.769 1.00 0.00 O ATOM 1527 CG2 THR A 101 -4.861 -12.007 0.843 1.00 0.00 C ATOM 0 H THR A 101 -1.946 -13.134 1.728 1.00 0.00 H new ATOM 0 HA THR A 101 -3.790 -14.121 -0.311 1.00 0.00 H new ATOM 0 HB THR A 101 -3.720 -11.609 -0.915 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.055 -10.473 1.251 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.231 -10.985 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.590 -12.614 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.708 -12.421 1.840 1.00 0.00 H new ATOM 1535 N PRO A 102 -2.427 -13.560 -2.439 1.00 0.00 N ATOM 1536 CA PRO A 102 -1.574 -13.480 -3.616 1.00 0.00 C ATOM 1537 C PRO A 102 -1.232 -12.031 -3.956 1.00 0.00 C ATOM 1538 O PRO A 102 -1.460 -11.124 -3.154 1.00 0.00 O ATOM 1539 CB PRO A 102 -2.421 -14.112 -4.733 1.00 0.00 C ATOM 1540 CG PRO A 102 -3.716 -14.520 -4.100 1.00 0.00 C ATOM 1541 CD PRO A 102 -3.828 -13.757 -2.814 1.00 0.00 C ATOM 0 HA PRO A 102 -0.619 -13.985 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.591 -13.401 -5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.912 -14.973 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.556 -14.295 -4.758 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.735 -15.594 -3.915 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.349 -12.809 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.376 -14.317 -2.056 1.00 0.00 H new ATOM 1549 N TYR A 103 -0.707 -11.806 -5.148 1.00 0.00 N ATOM 1550 CA TYR A 103 -0.262 -10.480 -5.540 1.00 0.00 C ATOM 1551 C TYR A 103 -1.210 -9.863 -6.557 1.00 0.00 C ATOM 1552 O TYR A 103 -2.098 -10.530 -7.091 1.00 0.00 O ATOM 1553 CB TYR A 103 1.140 -10.538 -6.158 1.00 0.00 C ATOM 1554 CG TYR A 103 2.150 -11.346 -5.374 1.00 0.00 C ATOM 1555 CD1 TYR A 103 2.299 -11.180 -4.007 1.00 0.00 C ATOM 1556 CD2 TYR A 103 2.961 -12.277 -6.011 1.00 0.00 C ATOM 1557 CE1 TYR A 103 3.225 -11.916 -3.293 1.00 0.00 C ATOM 1558 CE2 TYR A 103 3.892 -13.016 -5.305 1.00 0.00 C ATOM 1559 CZ TYR A 103 4.019 -12.830 -3.948 1.00 0.00 C ATOM 1560 OH TYR A 103 4.946 -13.560 -3.239 1.00 0.00 O ATOM 0 H TYR A 103 -0.578 -12.524 -5.861 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.245 -9.867 -4.639 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.062 -10.957 -7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.516 -9.521 -6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.680 -10.462 -3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.862 -12.426 -7.076 1.00 0.00 H new ATOM 0 HE1 TYR A 103 3.325 -11.775 -2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.516 -13.735 -5.816 1.00 0.00 H new ATOM 0 HH TYR A 103 5.424 -14.161 -3.848 1.00 0.00 H new ATOM 1570 N HIS A 104 -1.036 -8.574 -6.784 1.00 0.00 N ATOM 1571 CA HIS A 104 -1.609 -7.902 -7.933 1.00 0.00 C ATOM 1572 C HIS A 104 -0.535 -7.019 -8.548 1.00 0.00 C ATOM 1573 O HIS A 104 0.275 -6.439 -7.821 1.00 0.00 O ATOM 1574 CB HIS A 104 -2.834 -7.063 -7.556 1.00 0.00 C ATOM 1575 CG HIS A 104 -4.047 -7.869 -7.194 1.00 0.00 C ATOM 1576 ND1 HIS A 104 -4.881 -8.445 -8.130 1.00 0.00 N ATOM 1577 CD2 HIS A 104 -4.577 -8.178 -5.988 1.00 0.00 C ATOM 1578 CE1 HIS A 104 -5.868 -9.068 -7.514 1.00 0.00 C ATOM 1579 NE2 HIS A 104 -5.708 -8.921 -6.215 1.00 0.00 N ATOM 0 H HIS A 104 -0.492 -7.963 -6.175 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.949 -8.651 -8.648 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.575 -6.421 -6.715 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -3.083 -6.409 -8.392 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.182 -7.892 -5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.671 -9.607 -7.994 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.324 -9.298 -5.495 1.00 0.00 H new ATOM 1588 N GLU A 105 -0.524 -6.929 -9.868 1.00 0.00 N ATOM 1589 CA GLU A 105 0.521 -6.203 -10.581 1.00 0.00 C ATOM 1590 C GLU A 105 0.433 -4.709 -10.304 1.00 0.00 C ATOM 1591 O GLU A 105 1.356 -4.106 -9.758 1.00 0.00 O ATOM 1592 CB GLU A 105 0.402 -6.440 -12.089 1.00 0.00 C ATOM 1593 CG GLU A 105 1.481 -5.743 -12.899 1.00 0.00 C ATOM 1594 CD GLU A 105 2.822 -6.435 -12.784 1.00 0.00 C ATOM 1595 OE1 GLU A 105 2.958 -7.561 -13.302 1.00 0.00 O ATOM 1596 OE2 GLU A 105 3.741 -5.864 -12.160 1.00 0.00 O ATOM 0 H GLU A 105 -1.229 -7.351 -10.472 1.00 0.00 H new ATOM 0 HA GLU A 105 1.483 -6.574 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.447 -7.511 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -0.575 -6.095 -12.427 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.181 -5.709 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.577 -4.711 -12.561 1.00 0.00 H new ATOM 1603 N THR A 106 -0.690 -4.125 -10.679 1.00 0.00 N ATOM 1604 CA THR A 106 -0.855 -2.690 -10.616 1.00 0.00 C ATOM 1605 C THR A 106 -2.062 -2.328 -9.755 1.00 0.00 C ATOM 1606 O THR A 106 -3.023 -3.098 -9.665 1.00 0.00 O ATOM 1607 CB THR A 106 -1.022 -2.116 -12.035 1.00 0.00 C ATOM 1608 OG1 THR A 106 -0.078 -2.738 -12.914 1.00 0.00 O ATOM 1609 CG2 THR A 106 -0.793 -0.616 -12.055 1.00 0.00 C ATOM 0 H THR A 106 -1.504 -4.628 -11.032 1.00 0.00 H new ATOM 0 HA THR A 106 0.036 -2.256 -10.161 1.00 0.00 H new ATOM 0 HB THR A 106 -2.042 -2.317 -12.362 1.00 0.00 H new ATOM 0 HG1 THR A 106 -0.184 -2.375 -13.818 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.918 -0.242 -13.071 1.00 0.00 H new ATOM 0 HG22 THR A 106 -1.514 -0.129 -11.398 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.218 -0.398 -11.710 1.00 0.00 H new ATOM 1617 N VAL A 107 -2.003 -1.162 -9.123 1.00 0.00 N ATOM 1618 CA VAL A 107 -3.054 -0.721 -8.213 1.00 0.00 C ATOM 1619 C VAL A 107 -4.402 -0.575 -8.926 1.00 0.00 C ATOM 1620 O VAL A 107 -5.448 -0.698 -8.303 1.00 0.00 O ATOM 1621 CB VAL A 107 -2.678 0.611 -7.521 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.531 1.736 -8.537 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.697 0.972 -6.449 1.00 0.00 C ATOM 0 H VAL A 107 -1.233 -0.501 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.153 -1.495 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.712 0.475 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.267 2.659 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.747 1.482 -9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.474 1.873 -9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.411 1.912 -5.977 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.682 1.079 -6.904 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.729 0.183 -5.697 1.00 0.00 H new ATOM 1633 N TYR A 108 -4.376 -0.336 -10.230 1.00 0.00 N ATOM 1634 CA TYR A 108 -5.608 -0.189 -11.000 1.00 0.00 C ATOM 1635 C TYR A 108 -6.408 -1.491 -10.995 1.00 0.00 C ATOM 1636 O TYR A 108 -7.602 -1.497 -10.695 1.00 0.00 O ATOM 1637 CB TYR A 108 -5.294 0.242 -12.433 1.00 0.00 C ATOM 1638 CG TYR A 108 -4.658 1.610 -12.525 1.00 0.00 C ATOM 1639 CD1 TYR A 108 -5.435 2.761 -12.502 1.00 0.00 C ATOM 1640 CD2 TYR A 108 -3.282 1.752 -12.637 1.00 0.00 C ATOM 1641 CE1 TYR A 108 -4.859 4.013 -12.588 1.00 0.00 C ATOM 1642 CE2 TYR A 108 -2.699 2.999 -12.722 1.00 0.00 C ATOM 1643 CZ TYR A 108 -3.491 4.126 -12.698 1.00 0.00 C ATOM 1644 OH TYR A 108 -2.913 5.369 -12.783 1.00 0.00 O ATOM 0 H TYR A 108 -3.520 -0.240 -10.777 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.215 0.585 -10.531 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -4.627 -0.491 -12.887 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -6.215 0.238 -13.015 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -6.508 2.675 -12.415 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.657 0.871 -12.658 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -5.478 4.898 -12.569 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.626 3.092 -12.807 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.335 5.971 -12.135 1.00 0.00 H new ATOM 1654 N SER A 109 -5.735 -2.594 -11.300 1.00 0.00 N ATOM 1655 CA SER A 109 -6.372 -3.904 -11.299 1.00 0.00 C ATOM 1656 C SER A 109 -6.806 -4.291 -9.887 1.00 0.00 C ATOM 1657 O SER A 109 -7.873 -4.871 -9.687 1.00 0.00 O ATOM 1658 CB SER A 109 -5.404 -4.944 -11.858 1.00 0.00 C ATOM 1659 OG SER A 109 -4.954 -4.569 -13.150 1.00 0.00 O ATOM 0 H SER A 109 -4.747 -2.607 -11.552 1.00 0.00 H new ATOM 0 HA SER A 109 -7.261 -3.864 -11.929 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.551 -5.051 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.895 -5.916 -11.907 1.00 0.00 H new ATOM 0 HG SER A 109 -4.334 -5.247 -13.490 1.00 0.00 H new ATOM 1665 N LEU A 110 -5.974 -3.956 -8.910 1.00 0.00 N ATOM 1666 CA LEU A 110 -6.275 -4.241 -7.515 1.00 0.00 C ATOM 1667 C LEU A 110 -7.511 -3.479 -7.047 1.00 0.00 C ATOM 1668 O LEU A 110 -8.423 -4.059 -6.463 1.00 0.00 O ATOM 1669 CB LEU A 110 -5.087 -3.861 -6.633 1.00 0.00 C ATOM 1670 CG LEU A 110 -5.387 -3.867 -5.134 1.00 0.00 C ATOM 1671 CD1 LEU A 110 -5.330 -5.280 -4.582 1.00 0.00 C ATOM 1672 CD2 LEU A 110 -4.429 -2.960 -4.387 1.00 0.00 C ATOM 0 H LEU A 110 -5.082 -3.485 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.472 -5.310 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.268 -4.552 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.741 -2.867 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.397 -3.484 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.546 -5.262 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.068 -5.900 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.335 -5.694 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.663 -2.981 -3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.407 -3.305 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.528 -1.940 -4.760 1.00 0.00 H new ATOM 1684 N LEU A 111 -7.533 -2.184 -7.311 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.595 -1.318 -6.823 1.00 0.00 C ATOM 1686 C LEU A 111 -9.940 -1.734 -7.398 1.00 0.00 C ATOM 1687 O LEU A 111 -10.964 -1.625 -6.729 1.00 0.00 O ATOM 1688 CB LEU A 111 -8.299 0.140 -7.175 1.00 0.00 C ATOM 1689 CG LEU A 111 -9.174 1.164 -6.456 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -8.966 1.074 -4.951 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -8.867 2.566 -6.954 1.00 0.00 C ATOM 0 H LEU A 111 -6.822 -1.705 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.640 -1.415 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.255 0.350 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.420 0.271 -8.250 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.219 0.943 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.596 1.810 -4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.232 0.075 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.920 1.273 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.499 3.284 -6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.819 2.799 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.062 2.623 -8.025 1.00 0.00 H new ATOM 1703 N ASP A 112 -9.927 -2.237 -8.623 1.00 0.00 N ATOM 1704 CA ASP A 112 -11.157 -2.665 -9.283 1.00 0.00 C ATOM 1705 C ASP A 112 -11.785 -3.851 -8.561 1.00 0.00 C ATOM 1706 O ASP A 112 -13.005 -3.923 -8.413 1.00 0.00 O ATOM 1707 CB ASP A 112 -10.894 -3.037 -10.742 1.00 0.00 C ATOM 1708 CG ASP A 112 -12.132 -3.587 -11.424 1.00 0.00 C ATOM 1709 OD1 ASP A 112 -13.052 -2.800 -11.718 1.00 0.00 O ATOM 1710 OD2 ASP A 112 -12.190 -4.813 -11.669 1.00 0.00 O ATOM 0 H ASP A 112 -9.082 -2.360 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.851 -1.825 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.544 -2.157 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -10.096 -3.778 -10.788 1.00 0.00 H new ATOM 1715 N THR A 113 -10.948 -4.777 -8.101 1.00 0.00 N ATOM 1716 CA THR A 113 -11.431 -5.972 -7.415 1.00 0.00 C ATOM 1717 C THR A 113 -12.062 -5.616 -6.070 1.00 0.00 C ATOM 1718 O THR A 113 -12.848 -6.382 -5.510 1.00 0.00 O ATOM 1719 CB THR A 113 -10.296 -6.999 -7.189 1.00 0.00 C ATOM 1720 OG1 THR A 113 -9.310 -6.483 -6.288 1.00 0.00 O ATOM 1721 CG2 THR A 113 -9.624 -7.365 -8.500 1.00 0.00 C ATOM 0 H THR A 113 -9.933 -4.723 -8.191 1.00 0.00 H new ATOM 0 HA THR A 113 -12.186 -6.421 -8.060 1.00 0.00 H new ATOM 0 HB THR A 113 -10.749 -7.891 -6.756 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.109 -5.553 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 113 -8.830 -8.088 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.359 -7.801 -9.177 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.199 -6.469 -8.954 1.00 0.00 H new ATOM 1729 N LEU A 114 -11.725 -4.436 -5.569 1.00 0.00 N ATOM 1730 CA LEU A 114 -12.169 -4.009 -4.254 1.00 0.00 C ATOM 1731 C LEU A 114 -13.298 -2.985 -4.359 1.00 0.00 C ATOM 1732 O LEU A 114 -14.303 -3.087 -3.661 1.00 0.00 O ATOM 1733 CB LEU A 114 -10.982 -3.425 -3.489 1.00 0.00 C ATOM 1734 CG LEU A 114 -9.778 -4.367 -3.370 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -8.569 -3.635 -2.817 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -10.121 -5.567 -2.496 1.00 0.00 C ATOM 0 H LEU A 114 -11.143 -3.756 -6.058 1.00 0.00 H new ATOM 0 HA LEU A 114 -12.560 -4.872 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -10.662 -2.508 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.312 -3.149 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.530 -4.726 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.729 -4.325 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.306 -2.813 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -8.803 -3.240 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -9.254 -6.224 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -10.400 -5.224 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.954 -6.113 -2.938 1.00 0.00 H new ATOM 1748 N SER A 115 -13.133 -2.011 -5.241 1.00 0.00 N ATOM 1749 CA SER A 115 -14.126 -0.964 -5.425 1.00 0.00 C ATOM 1750 C SER A 115 -14.536 -0.875 -6.893 1.00 0.00 C ATOM 1751 O SER A 115 -13.830 -0.278 -7.702 1.00 0.00 O ATOM 1752 CB SER A 115 -13.558 0.382 -4.948 1.00 0.00 C ATOM 1753 OG SER A 115 -14.540 1.410 -4.959 1.00 0.00 O ATOM 0 H SER A 115 -12.315 -1.924 -5.844 1.00 0.00 H new ATOM 0 HA SER A 115 -15.009 -1.206 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.161 0.271 -3.939 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.724 0.671 -5.588 1.00 0.00 H new ATOM 0 HG SER A 115 -14.139 2.248 -4.648 1.00 0.00 H new ATOM 1759 N PRO A 116 -15.679 -1.480 -7.260 1.00 0.00 N ATOM 1760 CA PRO A 116 -16.185 -1.457 -8.639 1.00 0.00 C ATOM 1761 C PRO A 116 -16.538 -0.044 -9.100 1.00 0.00 C ATOM 1762 O PRO A 116 -16.671 0.220 -10.298 1.00 0.00 O ATOM 1763 CB PRO A 116 -17.442 -2.332 -8.582 1.00 0.00 C ATOM 1764 CG PRO A 116 -17.308 -3.126 -7.328 1.00 0.00 C ATOM 1765 CD PRO A 116 -16.561 -2.249 -6.370 1.00 0.00 C ATOM 0 HA PRO A 116 -15.440 -1.814 -9.350 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -18.346 -1.723 -8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -17.509 -2.982 -9.454 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -18.286 -3.397 -6.930 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -16.769 -4.056 -7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -17.232 -1.601 -5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -15.995 -2.832 -5.643 1.00 0.00 H new ATOM 1773 N ALA A 117 -16.663 0.869 -8.139 1.00 0.00 N ATOM 1774 CA ALA A 117 -16.971 2.264 -8.431 1.00 0.00 C ATOM 1775 C ALA A 117 -15.762 2.957 -9.047 1.00 0.00 C ATOM 1776 O ALA A 117 -15.845 4.096 -9.504 1.00 0.00 O ATOM 1777 CB ALA A 117 -17.412 2.981 -7.166 1.00 0.00 C ATOM 0 H ALA A 117 -16.555 0.664 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 117 -17.789 2.298 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -17.639 4.022 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.302 2.496 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -16.612 2.940 -6.427 1.00 0.00 H new ATOM 1783 N TYR A 118 -14.637 2.251 -9.048 1.00 0.00 N ATOM 1784 CA TYR A 118 -13.417 2.723 -9.682 1.00 0.00 C ATOM 1785 C TYR A 118 -13.659 3.002 -11.164 1.00 0.00 C ATOM 1786 O TYR A 118 -13.256 4.042 -11.684 1.00 0.00 O ATOM 1787 CB TYR A 118 -12.315 1.675 -9.480 1.00 0.00 C ATOM 1788 CG TYR A 118 -11.220 1.683 -10.526 1.00 0.00 C ATOM 1789 CD1 TYR A 118 -10.306 2.727 -10.619 1.00 0.00 C ATOM 1790 CD2 TYR A 118 -11.108 0.631 -11.425 1.00 0.00 C ATOM 1791 CE1 TYR A 118 -9.314 2.719 -11.583 1.00 0.00 C ATOM 1792 CE2 TYR A 118 -10.120 0.616 -12.386 1.00 0.00 C ATOM 1793 CZ TYR A 118 -9.227 1.660 -12.464 1.00 0.00 C ATOM 1794 OH TYR A 118 -8.243 1.638 -13.424 1.00 0.00 O ATOM 0 H TYR A 118 -14.548 1.335 -8.608 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.100 3.660 -9.225 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -11.862 1.831 -8.501 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -12.774 0.686 -9.465 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -10.372 3.555 -9.929 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.807 -0.190 -11.370 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.611 3.537 -11.646 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -10.047 -0.212 -13.075 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.326 0.821 -13.958 1.00 0.00 H new ATOM 1804 N ARG A 119 -14.342 2.082 -11.831 1.00 0.00 N ATOM 1805 CA ARG A 119 -14.651 2.242 -13.244 1.00 0.00 C ATOM 1806 C ARG A 119 -15.681 3.345 -13.463 1.00 0.00 C ATOM 1807 O ARG A 119 -15.574 4.117 -14.417 1.00 0.00 O ATOM 1808 CB ARG A 119 -15.151 0.923 -13.829 1.00 0.00 C ATOM 1809 CG ARG A 119 -14.034 0.005 -14.297 1.00 0.00 C ATOM 1810 CD ARG A 119 -14.565 -1.362 -14.696 1.00 0.00 C ATOM 1811 NE ARG A 119 -14.821 -2.208 -13.533 1.00 0.00 N ATOM 1812 CZ ARG A 119 -15.950 -2.880 -13.319 1.00 0.00 C ATOM 1813 NH1 ARG A 119 -16.986 -2.741 -14.140 1.00 0.00 N ATOM 1814 NH2 ARG A 119 -16.047 -3.677 -12.263 1.00 0.00 N ATOM 0 H ARG A 119 -14.692 1.218 -11.417 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.735 2.532 -13.759 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -15.746 0.404 -13.078 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.812 1.135 -14.669 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -13.521 0.458 -15.145 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.297 -0.108 -13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -15.486 -1.241 -15.267 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -13.846 -1.854 -15.351 1.00 0.00 H new ATOM 0 HE ARG A 119 -14.082 -2.290 -12.835 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -16.920 -2.115 -14.943 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -17.847 -3.260 -13.967 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -15.260 -3.772 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -16.909 -4.195 -12.093 1.00 0.00 H new ATOM 1828 N GLU A 120 -16.666 3.425 -12.572 1.00 0.00 N ATOM 1829 CA GLU A 120 -17.715 4.433 -12.682 1.00 0.00 C ATOM 1830 C GLU A 120 -17.132 5.833 -12.529 1.00 0.00 C ATOM 1831 O GLU A 120 -17.374 6.714 -13.356 1.00 0.00 O ATOM 1832 CB GLU A 120 -18.793 4.218 -11.621 1.00 0.00 C ATOM 1833 CG GLU A 120 -19.479 2.869 -11.697 1.00 0.00 C ATOM 1834 CD GLU A 120 -20.615 2.758 -10.702 1.00 0.00 C ATOM 1835 OE1 GLU A 120 -20.336 2.601 -9.497 1.00 0.00 O ATOM 1836 OE2 GLU A 120 -21.792 2.848 -11.118 1.00 0.00 O ATOM 0 H GLU A 120 -16.759 2.805 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 120 -18.164 4.334 -13.670 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -18.343 4.329 -10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -19.545 5.001 -11.719 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -19.863 2.713 -12.705 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -18.751 2.080 -11.507 1.00 0.00 H new ATOM 1843 N ALA A 121 -16.351 6.022 -11.471 1.00 0.00 N ATOM 1844 CA ALA A 121 -15.758 7.318 -11.177 1.00 0.00 C ATOM 1845 C ALA A 121 -14.810 7.753 -12.285 1.00 0.00 C ATOM 1846 O ALA A 121 -14.851 8.898 -12.732 1.00 0.00 O ATOM 1847 CB ALA A 121 -15.028 7.274 -9.842 1.00 0.00 C ATOM 0 H ALA A 121 -16.114 5.290 -10.801 1.00 0.00 H new ATOM 0 HA ALA A 121 -16.562 8.051 -11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -14.589 8.250 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -15.732 7.017 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -14.239 6.523 -9.883 1.00 0.00 H new ATOM 1853 N PHE A 122 -13.973 6.827 -12.738 1.00 0.00 N ATOM 1854 CA PHE A 122 -12.991 7.132 -13.769 1.00 0.00 C ATOM 1855 C PHE A 122 -13.672 7.509 -15.079 1.00 0.00 C ATOM 1856 O PHE A 122 -13.299 8.494 -15.714 1.00 0.00 O ATOM 1857 CB PHE A 122 -12.049 5.946 -13.985 1.00 0.00 C ATOM 1858 CG PHE A 122 -10.925 6.246 -14.934 1.00 0.00 C ATOM 1859 CD1 PHE A 122 -9.849 7.019 -14.525 1.00 0.00 C ATOM 1860 CD2 PHE A 122 -10.938 5.755 -16.229 1.00 0.00 C ATOM 1861 CE1 PHE A 122 -8.809 7.297 -15.388 1.00 0.00 C ATOM 1862 CE2 PHE A 122 -9.901 6.031 -17.098 1.00 0.00 C ATOM 1863 CZ PHE A 122 -8.834 6.801 -16.677 1.00 0.00 C ATOM 0 H PHE A 122 -13.955 5.862 -12.408 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.405 7.986 -13.430 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.633 5.642 -13.025 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -12.622 5.101 -14.367 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.825 7.408 -13.518 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -11.768 5.150 -16.563 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -7.977 7.901 -15.057 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -9.924 5.645 -18.106 1.00 0.00 H new ATOM 0 HZ PHE A 122 -8.021 7.015 -17.355 1.00 0.00 H new