USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=27 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= -1.83 K(o=-3.3,f=-4!) USER MOD Set 1.2: A 133 SER OG : rot 88:sc= -1.68 USER MOD Set 1.3: A 134 THR OG1 : rot -10:sc= 0.211 USER MOD Set 2.1: A 124 SER OG : rot 180:sc= -0.196 USER MOD Set 2.2: A 125 SER OG : rot 180:sc= -0.0993 USER MOD Set 3.1: A 79 MET CE :methyl 138:sc= -0.384 (180deg=-4.16!) USER MOD Set 3.2: A 117 GLN : amide:sc= -0.982 K(o=-2.5,f=-18!) USER MOD Set 3.3: A 118 ASN :FLIP amide:sc= -1.11 F(o=-11!,f=-2.5) USER MOD Set 4.1: A 56 ASN : amide:sc= -1.78 K(o=-1.9,f=-13!) USER MOD Set 4.2: A 58 SER OG : rot -60:sc= -0.0956 USER MOD Set 5.1: A 33 HIS :FLIP no HD1:sc= -4.65! C(o=-11!,f=-8.4!) USER MOD Set 5.2: A 140 MET CE :methyl -170:sc= -3.96! (180deg=-2.8!) USER MOD Set 5.3: A 142 LYS NZ :NH3+ -168:sc= 0.217 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 110:sc= -0.486 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= -0.793 (180deg=-2.73!) USER MOD Single : A 59 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.23) USER MOD Single : A 62 GLN : amide:sc= -2.21! C(o=-2.2!,f=-3.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -115:sc= -1.83 (180deg=-3.87!) USER MOD Single : A 66 ASN : amide:sc= -1.87! X(o=-1.9!,f=-1.4) USER MOD Single : A 68 GLN : amide:sc= -0.702 K(o=-0.7,f=-3.7!) USER MOD Single : A 72 GLN : amide:sc= -1.81 K(o=-1.8,f=-4.2) USER MOD Single : A 73 ASN : amide:sc= -10.4! C(o=-10!,f=-17!) USER MOD Single : A 80 THR OG1 : rot 140:sc= -0.786 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 29:sc= -1.15 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -1.04 F(o=-3.4!,f=-1) 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 34:sc= 0.325 USER MOD Single : A 106 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-5.4!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -3:sc= -0.213 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= 0.0627 USER MOD Single : A 128 THR OG1 : rot -123:sc= -4! USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -6.031 4.977 8.406 1.00 0.00 N ATOM 440 CA HIS A 33 -4.967 5.204 9.370 1.00 0.00 C ATOM 441 C HIS A 33 -4.013 4.008 9.372 1.00 0.00 C ATOM 442 O HIS A 33 -4.277 2.999 10.024 1.00 0.00 O ATOM 443 CB HIS A 33 -5.543 5.505 10.755 1.00 0.00 C ATOM 444 CG HIS A 33 -5.202 4.470 11.800 1.00 0.00 C ATOM 445 ND1 HIS A 33 -5.949 3.458 12.329 1.00 0.00 N flip ATOM 446 CD2 HIS A 33 -3.966 4.407 12.418 1.00 0.00 C flip ATOM 447 CE1 HIS A 33 -5.208 2.813 13.221 1.00 0.00 C flip ATOM 448 NE2 HIS A 33 -3.978 3.400 13.278 1.00 0.00 N flip ATOM 0 HA HIS A 33 -4.392 6.084 9.081 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.176 6.476 11.087 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.627 5.584 10.677 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.132 5.067 12.231 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.526 1.963 13.806 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.204 3.114 13.877 1.00 0.00 H new ATOM 456 N ALA A 34 -2.923 4.160 8.634 1.00 0.00 N ATOM 457 CA ALA A 34 -1.928 3.105 8.542 1.00 0.00 C ATOM 458 C ALA A 34 -0.715 3.479 9.396 1.00 0.00 C ATOM 459 O ALA A 34 -0.531 4.644 9.744 1.00 0.00 O ATOM 460 CB ALA A 34 -1.560 2.877 7.074 1.00 0.00 C ATOM 0 H ALA A 34 -2.707 4.998 8.094 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.326 2.167 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.814 2.086 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.450 2.586 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.154 3.797 6.654 1.00 0.00 H new ATOM 466 N ARG A 35 0.082 2.468 9.709 1.00 0.00 N ATOM 467 CA ARG A 35 1.272 2.675 10.516 1.00 0.00 C ATOM 468 C ARG A 35 2.297 1.572 10.244 1.00 0.00 C ATOM 469 O ARG A 35 2.092 0.421 10.627 1.00 0.00 O ATOM 470 CB ARG A 35 0.931 2.689 12.008 1.00 0.00 C ATOM 471 CG ARG A 35 0.686 4.116 12.501 1.00 0.00 C ATOM 472 CD ARG A 35 -0.649 4.218 13.242 1.00 0.00 C ATOM 473 NE ARG A 35 -0.410 4.469 14.681 1.00 0.00 N ATOM 474 CZ ARG A 35 0.022 5.636 15.179 1.00 0.00 C ATOM 475 NH1 ARG A 35 0.265 6.665 14.357 1.00 0.00 N ATOM 476 NH2 ARG A 35 0.210 5.772 16.499 1.00 0.00 N ATOM 0 H ARG A 35 -0.073 1.503 9.418 1.00 0.00 H new ATOM 0 HA ARG A 35 1.693 3.642 10.242 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.044 2.081 12.188 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.746 2.239 12.575 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.497 4.421 13.162 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.690 4.803 11.655 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.249 5.023 12.818 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.217 3.296 13.114 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.585 3.706 15.335 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.121 6.560 13.353 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.594 7.553 14.735 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.024 4.988 17.124 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.539 6.660 16.879 1.00 0.00 H new ATOM 490 N THR A 36 3.378 1.962 9.585 1.00 0.00 N ATOM 491 CA THR A 36 4.435 1.020 9.258 1.00 0.00 C ATOM 492 C THR A 36 5.480 0.981 10.375 1.00 0.00 C ATOM 493 O THR A 36 5.754 1.999 11.009 1.00 0.00 O ATOM 494 CB THR A 36 5.014 1.414 7.898 1.00 0.00 C ATOM 495 OG1 THR A 36 4.310 0.593 6.970 1.00 0.00 O ATOM 496 CG2 THR A 36 6.475 0.988 7.738 1.00 0.00 C ATOM 0 H THR A 36 3.545 2.917 9.269 1.00 0.00 H new ATOM 0 HA THR A 36 4.049 0.003 9.182 1.00 0.00 H new ATOM 0 HB THR A 36 4.934 2.493 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.701 1.148 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.837 1.292 6.756 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.079 1.464 8.510 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.551 -0.095 7.834 1.00 0.00 H new ATOM 504 N SER A 37 6.035 -0.204 10.581 1.00 0.00 N ATOM 505 CA SER A 37 7.044 -0.388 11.611 1.00 0.00 C ATOM 506 C SER A 37 7.917 -1.599 11.277 1.00 0.00 C ATOM 507 O SER A 37 7.701 -2.690 11.804 1.00 0.00 O ATOM 508 CB SER A 37 6.400 -0.562 12.988 1.00 0.00 C ATOM 509 OG SER A 37 7.107 0.147 14.001 1.00 0.00 O ATOM 0 H SER A 37 5.806 -1.046 10.053 1.00 0.00 H new ATOM 0 HA SER A 37 7.668 0.505 11.642 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.369 -0.211 12.953 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.368 -1.621 13.242 1.00 0.00 H new ATOM 0 HG SER A 37 6.664 0.012 14.865 1.00 0.00 H new ATOM 515 N GLY A 38 8.885 -1.368 10.403 1.00 0.00 N ATOM 516 CA GLY A 38 9.792 -2.426 9.992 1.00 0.00 C ATOM 517 C GLY A 38 10.530 -2.048 8.706 1.00 0.00 C ATOM 518 O GLY A 38 10.984 -0.914 8.557 1.00 0.00 O ATOM 0 H GLY A 38 9.061 -0.463 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.513 -2.620 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.233 -3.349 9.837 1.00 0.00 H new ATOM 522 N ARG A 39 10.626 -3.019 7.809 1.00 0.00 N ATOM 523 CA ARG A 39 11.301 -2.802 6.541 1.00 0.00 C ATOM 524 C ARG A 39 10.277 -2.613 5.420 1.00 0.00 C ATOM 525 O ARG A 39 10.486 -1.812 4.511 1.00 0.00 O ATOM 526 CB ARG A 39 12.215 -3.979 6.195 1.00 0.00 C ATOM 527 CG ARG A 39 13.596 -3.807 6.831 1.00 0.00 C ATOM 528 CD ARG A 39 14.588 -4.829 6.273 1.00 0.00 C ATOM 529 NE ARG A 39 14.963 -5.798 7.327 1.00 0.00 N ATOM 530 CZ ARG A 39 15.413 -7.036 7.084 1.00 0.00 C ATOM 531 NH1 ARG A 39 15.547 -7.464 5.821 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.730 -7.846 8.103 1.00 0.00 N ATOM 0 H ARG A 39 10.247 -3.958 7.936 1.00 0.00 H new ATOM 0 HA ARG A 39 11.908 -1.902 6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.764 -4.909 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.317 -4.059 5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.964 -2.798 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.519 -3.922 7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.145 -5.353 5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.478 -4.320 5.902 1.00 0.00 H new ATOM 0 HE ARG A 39 14.873 -5.505 8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.306 -6.847 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.890 -8.407 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.629 -7.520 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.073 -8.789 7.918 1.00 0.00 H new ATOM 546 N VAL A 40 9.190 -3.365 5.522 1.00 0.00 N ATOM 547 CA VAL A 40 8.133 -3.291 4.529 1.00 0.00 C ATOM 548 C VAL A 40 7.056 -2.315 5.007 1.00 0.00 C ATOM 549 O VAL A 40 7.049 -1.915 6.170 1.00 0.00 O ATOM 550 CB VAL A 40 7.586 -4.691 4.241 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.454 -4.637 3.213 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.701 -5.631 3.780 1.00 0.00 C ATOM 0 H VAL A 40 9.019 -4.028 6.278 1.00 0.00 H new ATOM 0 HA VAL A 40 8.522 -2.908 3.586 1.00 0.00 H new ATOM 0 HB VAL A 40 7.176 -5.088 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.083 -5.645 3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.643 -4.018 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.828 -4.210 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.285 -6.619 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.154 -5.239 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.459 -5.706 4.559 1.00 0.00 H new ATOM 562 N ALA A 41 6.173 -1.960 4.086 1.00 0.00 N ATOM 563 CA ALA A 41 5.094 -1.039 4.400 1.00 0.00 C ATOM 564 C ALA A 41 3.923 -1.288 3.447 1.00 0.00 C ATOM 565 O ALA A 41 4.114 -1.388 2.236 1.00 0.00 O ATOM 566 CB ALA A 41 5.612 0.399 4.324 1.00 0.00 C ATOM 0 H ALA A 41 6.182 -2.293 3.122 1.00 0.00 H new ATOM 0 HA ALA A 41 4.733 -1.202 5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.803 1.090 4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.423 0.532 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.980 0.600 3.318 1.00 0.00 H new ATOM 572 N VAL A 42 2.737 -1.380 4.030 1.00 0.00 N ATOM 573 CA VAL A 42 1.535 -1.616 3.247 1.00 0.00 C ATOM 574 C VAL A 42 1.362 -0.483 2.234 1.00 0.00 C ATOM 575 O VAL A 42 0.676 0.501 2.509 1.00 0.00 O ATOM 576 CB VAL A 42 0.330 -1.777 4.176 1.00 0.00 C ATOM 577 CG1 VAL A 42 -0.947 -2.044 3.375 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.574 -2.884 5.204 1.00 0.00 C ATOM 0 H VAL A 42 2.582 -1.296 5.035 1.00 0.00 H new ATOM 0 HA VAL A 42 1.621 -2.545 2.684 1.00 0.00 H new ATOM 0 HB VAL A 42 0.197 -0.841 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.789 -2.155 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.135 -1.209 2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.828 -2.959 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.298 -2.978 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.746 -3.829 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.448 -2.635 5.806 1.00 0.00 H new ATOM 588 N GLU A 43 1.995 -0.658 1.084 1.00 0.00 N ATOM 589 CA GLU A 43 1.919 0.337 0.028 1.00 0.00 C ATOM 590 C GLU A 43 0.501 0.904 -0.067 1.00 0.00 C ATOM 591 O GLU A 43 0.297 2.106 0.097 1.00 0.00 O ATOM 592 CB GLU A 43 2.365 -0.250 -1.313 1.00 0.00 C ATOM 593 CG GLU A 43 2.889 0.845 -2.244 1.00 0.00 C ATOM 594 CD GLU A 43 1.807 1.891 -2.524 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.667 1.465 -2.808 1.00 0.00 O ATOM 596 OE2 GLU A 43 2.145 3.092 -2.447 1.00 0.00 O ATOM 0 H GLU A 43 2.563 -1.475 0.860 1.00 0.00 H new ATOM 0 HA GLU A 43 2.600 1.152 0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.144 -0.995 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.528 -0.764 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.757 1.326 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.222 0.401 -3.182 1.00 0.00 H new ATOM 603 N GLU A 44 -0.442 0.011 -0.330 1.00 0.00 N ATOM 604 CA GLU A 44 -1.835 0.407 -0.448 1.00 0.00 C ATOM 605 C GLU A 44 -2.737 -0.828 -0.487 1.00 0.00 C ATOM 606 O GLU A 44 -2.498 -1.751 -1.264 1.00 0.00 O ATOM 607 CB GLU A 44 -2.053 1.284 -1.683 1.00 0.00 C ATOM 608 CG GLU A 44 -3.530 1.652 -1.840 1.00 0.00 C ATOM 609 CD GLU A 44 -3.784 3.096 -1.404 1.00 0.00 C ATOM 610 OE1 GLU A 44 -2.855 3.914 -1.577 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.903 3.350 -0.906 1.00 0.00 O ATOM 0 H GLU A 44 -0.269 -0.985 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.099 0.998 0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.455 2.192 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.709 0.757 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.832 1.524 -2.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.142 0.975 -1.244 1.00 0.00 H new ATOM 618 N VAL A 45 -3.754 -0.806 0.361 1.00 0.00 N ATOM 619 CA VAL A 45 -4.693 -1.913 0.434 1.00 0.00 C ATOM 620 C VAL A 45 -6.091 -1.415 0.063 1.00 0.00 C ATOM 621 O VAL A 45 -6.697 -0.646 0.807 1.00 0.00 O ATOM 622 CB VAL A 45 -4.636 -2.557 1.820 1.00 0.00 C ATOM 623 CG1 VAL A 45 -5.888 -3.395 2.087 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.368 -3.398 1.982 1.00 0.00 C ATOM 0 H VAL A 45 -3.949 -0.039 1.004 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.424 -2.690 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.604 -1.757 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.822 -3.842 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.771 -2.758 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.965 -4.184 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.352 -3.845 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.356 -4.187 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.491 -2.763 1.856 1.00 0.00 H new ATOM 634 N ASP A 46 -6.562 -1.875 -1.087 1.00 0.00 N ATOM 635 CA ASP A 46 -7.878 -1.486 -1.565 1.00 0.00 C ATOM 636 C ASP A 46 -8.909 -1.724 -0.460 1.00 0.00 C ATOM 637 O ASP A 46 -9.191 -2.867 -0.105 1.00 0.00 O ATOM 638 CB ASP A 46 -8.289 -2.318 -2.782 1.00 0.00 C ATOM 639 CG ASP A 46 -9.209 -1.602 -3.773 1.00 0.00 C ATOM 640 OD1 ASP A 46 -9.848 -0.617 -3.345 1.00 0.00 O ATOM 641 OD2 ASP A 46 -9.252 -2.057 -4.937 1.00 0.00 O ATOM 0 H ASP A 46 -6.056 -2.513 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.838 -0.433 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.388 -2.634 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.788 -3.222 -2.434 1.00 0.00 H new ATOM 646 N GLU A 47 -9.442 -0.625 0.053 1.00 0.00 N ATOM 647 CA GLU A 47 -10.436 -0.699 1.111 1.00 0.00 C ATOM 648 C GLU A 47 -11.587 -1.617 0.695 1.00 0.00 C ATOM 649 O GLU A 47 -12.133 -2.348 1.520 1.00 0.00 O ATOM 650 CB GLU A 47 -10.950 0.694 1.479 1.00 0.00 C ATOM 651 CG GLU A 47 -11.312 1.493 0.226 1.00 0.00 C ATOM 652 CD GLU A 47 -12.221 2.674 0.572 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.776 3.514 1.384 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.341 2.710 0.017 1.00 0.00 O ATOM 0 H GLU A 47 -9.205 0.321 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.963 -1.121 1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.825 0.604 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.189 1.228 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.403 1.857 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.812 0.843 -0.492 1.00 0.00 H new ATOM 661 N GLU A 48 -11.923 -1.548 -0.585 1.00 0.00 N ATOM 662 CA GLU A 48 -12.999 -2.364 -1.121 1.00 0.00 C ATOM 663 C GLU A 48 -12.751 -3.841 -0.811 1.00 0.00 C ATOM 664 O GLU A 48 -13.695 -4.615 -0.658 1.00 0.00 O ATOM 665 CB GLU A 48 -13.161 -2.139 -2.626 1.00 0.00 C ATOM 666 CG GLU A 48 -13.677 -0.728 -2.917 1.00 0.00 C ATOM 667 CD GLU A 48 -14.795 -0.758 -3.960 1.00 0.00 C ATOM 668 OE1 GLU A 48 -15.898 -1.222 -3.597 1.00 0.00 O ATOM 669 OE2 GLU A 48 -14.523 -0.316 -5.097 1.00 0.00 O ATOM 0 H GLU A 48 -11.469 -0.940 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.930 -2.064 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.204 -2.290 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.853 -2.875 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.045 -0.275 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.858 -0.104 -3.274 1.00 0.00 H new ATOM 676 N GLY A 49 -11.475 -4.189 -0.728 1.00 0.00 N ATOM 677 CA GLY A 49 -11.091 -5.560 -0.439 1.00 0.00 C ATOM 678 C GLY A 49 -10.925 -6.367 -1.729 1.00 0.00 C ATOM 679 O GLY A 49 -11.323 -7.528 -1.794 1.00 0.00 O ATOM 0 H GLY A 49 -10.694 -3.545 -0.856 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.157 -5.569 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.847 -6.028 0.192 1.00 0.00 H new ATOM 683 N LYS A 50 -10.336 -5.718 -2.723 1.00 0.00 N ATOM 684 CA LYS A 50 -10.113 -6.360 -4.007 1.00 0.00 C ATOM 685 C LYS A 50 -8.703 -6.953 -4.037 1.00 0.00 C ATOM 686 O LYS A 50 -8.524 -8.121 -4.381 1.00 0.00 O ATOM 687 CB LYS A 50 -10.393 -5.383 -5.151 1.00 0.00 C ATOM 688 CG LYS A 50 -11.891 -5.313 -5.457 1.00 0.00 C ATOM 689 CD LYS A 50 -12.138 -4.769 -6.865 1.00 0.00 C ATOM 690 CE LYS A 50 -12.443 -3.270 -6.829 1.00 0.00 C ATOM 691 NZ LYS A 50 -13.087 -2.842 -8.091 1.00 0.00 N ATOM 0 H LYS A 50 -10.007 -4.754 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.811 -7.186 -4.146 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.026 -4.392 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.850 -5.696 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.331 -6.306 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.386 -4.675 -4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.262 -4.950 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.971 -5.302 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.097 -3.046 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.521 -2.709 -6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.287 -1.822 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.450 -3.038 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.977 -3.365 -8.221 1.00 0.00 H new ATOM 705 N PHE A 51 -7.737 -6.122 -3.672 1.00 0.00 N ATOM 706 CA PHE A 51 -6.349 -6.550 -3.653 1.00 0.00 C ATOM 707 C PHE A 51 -5.561 -5.807 -2.573 1.00 0.00 C ATOM 708 O PHE A 51 -5.967 -4.733 -2.131 1.00 0.00 O ATOM 709 CB PHE A 51 -5.758 -6.211 -5.023 1.00 0.00 C ATOM 710 CG PHE A 51 -5.567 -4.712 -5.264 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.477 -4.075 -4.759 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.487 -4.017 -5.985 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.300 -2.684 -4.983 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.310 -2.626 -6.209 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.220 -1.989 -5.703 1.00 0.00 C ATOM 0 H PHE A 51 -7.889 -5.154 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.291 -7.617 -3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.795 -6.711 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.410 -6.613 -5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.746 -4.627 -4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.352 -4.523 -6.387 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.434 -2.178 -4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.041 -2.074 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.085 -0.931 -5.873 1.00 0.00 H new ATOM 725 N VAL A 52 -4.448 -6.408 -2.178 1.00 0.00 N ATOM 726 CA VAL A 52 -3.600 -5.817 -1.157 1.00 0.00 C ATOM 727 C VAL A 52 -2.210 -5.560 -1.742 1.00 0.00 C ATOM 728 O VAL A 52 -1.534 -6.491 -2.178 1.00 0.00 O ATOM 729 CB VAL A 52 -3.571 -6.713 0.083 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.357 -6.397 0.959 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.870 -6.588 0.880 1.00 0.00 C ATOM 0 H VAL A 52 -4.114 -7.298 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.001 -4.855 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.482 -7.746 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.360 -7.048 1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.443 -6.561 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.401 -5.357 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.823 -7.235 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.003 -5.554 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.711 -6.885 0.254 1.00 0.00 H new ATOM 741 N ARG A 53 -1.824 -4.293 -1.733 1.00 0.00 N ATOM 742 CA ARG A 53 -0.526 -3.902 -2.257 1.00 0.00 C ATOM 743 C ARG A 53 0.459 -3.663 -1.111 1.00 0.00 C ATOM 744 O ARG A 53 0.160 -2.925 -0.173 1.00 0.00 O ATOM 745 CB ARG A 53 -0.633 -2.630 -3.101 1.00 0.00 C ATOM 746 CG ARG A 53 0.032 -2.820 -4.465 1.00 0.00 C ATOM 747 CD ARG A 53 0.385 -1.471 -5.096 1.00 0.00 C ATOM 748 NE ARG A 53 -0.004 -1.462 -6.523 1.00 0.00 N ATOM 749 CZ ARG A 53 0.509 -0.626 -7.437 1.00 0.00 C ATOM 750 NH1 ARG A 53 1.434 0.273 -7.077 1.00 0.00 N ATOM 751 NH2 ARG A 53 0.096 -0.690 -8.710 1.00 0.00 N ATOM 0 H ARG A 53 -2.387 -3.523 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.165 -4.714 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.682 -2.367 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.162 -1.800 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.935 -3.420 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.637 -3.371 -5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.127 -0.668 -4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.455 -1.285 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.707 -2.134 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.748 0.321 -6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.825 0.909 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.609 -1.375 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.486 -0.054 -9.405 1.00 0.00 H new ATOM 765 N LEU A 54 1.614 -4.302 -1.223 1.00 0.00 N ATOM 766 CA LEU A 54 2.646 -4.169 -0.208 1.00 0.00 C ATOM 767 C LEU A 54 3.969 -3.795 -0.879 1.00 0.00 C ATOM 768 O LEU A 54 4.404 -4.461 -1.817 1.00 0.00 O ATOM 769 CB LEU A 54 2.724 -5.436 0.645 1.00 0.00 C ATOM 770 CG LEU A 54 1.400 -5.937 1.225 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.501 -7.409 1.630 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.941 -5.054 2.387 1.00 0.00 C ATOM 0 H LEU A 54 1.858 -4.914 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 54 2.400 -3.363 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.157 -6.232 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.413 -5.253 1.470 1.00 0.00 H new ATOM 0 HG LEU A 54 0.639 -5.868 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.547 -7.740 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.749 -8.011 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.279 -7.526 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.002 -5.432 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.695 -5.068 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.803 -4.032 2.035 1.00 0.00 H new ATOM 784 N ARG A 55 4.574 -2.732 -0.370 1.00 0.00 N ATOM 785 CA ARG A 55 5.840 -2.262 -0.907 1.00 0.00 C ATOM 786 C ARG A 55 6.911 -2.257 0.185 1.00 0.00 C ATOM 787 O ARG A 55 6.605 -2.052 1.358 1.00 0.00 O ATOM 788 CB ARG A 55 5.703 -0.852 -1.485 1.00 0.00 C ATOM 789 CG ARG A 55 7.067 -0.292 -1.894 1.00 0.00 C ATOM 790 CD ARG A 55 6.915 0.820 -2.933 1.00 0.00 C ATOM 791 NE ARG A 55 6.669 2.114 -2.258 1.00 0.00 N ATOM 792 CZ ARG A 55 6.809 3.308 -2.849 1.00 0.00 C ATOM 793 NH1 ARG A 55 7.195 3.380 -4.130 1.00 0.00 N ATOM 794 NH2 ARG A 55 6.564 4.430 -2.159 1.00 0.00 N ATOM 0 H ARG A 55 4.211 -2.183 0.409 1.00 0.00 H new ATOM 0 HA ARG A 55 6.135 -2.943 -1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.040 -0.873 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.243 -0.195 -0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.583 0.095 -1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.685 -1.092 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.816 0.884 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.090 0.589 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 55 6.374 2.095 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.382 2.526 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.302 4.289 -4.580 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.271 4.375 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.671 5.339 -2.609 1.00 0.00 H new ATOM 808 N ASN A 56 8.145 -2.485 -0.240 1.00 0.00 N ATOM 809 CA ASN A 56 9.263 -2.510 0.687 1.00 0.00 C ATOM 810 C ASN A 56 9.883 -1.113 0.769 1.00 0.00 C ATOM 811 O ASN A 56 10.007 -0.425 -0.243 1.00 0.00 O ATOM 812 CB ASN A 56 10.348 -3.481 0.217 1.00 0.00 C ATOM 813 CG ASN A 56 11.353 -3.764 1.335 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.412 -3.076 2.341 1.00 0.00 O ATOM 815 ND2 ASN A 56 12.138 -4.813 1.105 1.00 0.00 N ATOM 0 H ASN A 56 8.395 -2.654 -1.214 1.00 0.00 H new ATOM 0 HA ASN A 56 8.888 -2.832 1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.889 -4.414 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.867 -3.062 -0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.842 -5.084 1.792 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.036 -5.347 0.242 1.00 0.00 H new ATOM 822 N LYS A 57 10.256 -0.736 1.983 1.00 0.00 N ATOM 823 CA LYS A 57 10.859 0.566 2.210 1.00 0.00 C ATOM 824 C LYS A 57 12.365 0.395 2.419 1.00 0.00 C ATOM 825 O LYS A 57 13.152 1.254 2.022 1.00 0.00 O ATOM 826 CB LYS A 57 10.157 1.289 3.361 1.00 0.00 C ATOM 827 CG LYS A 57 8.693 1.572 3.018 1.00 0.00 C ATOM 828 CD LYS A 57 8.577 2.723 2.017 1.00 0.00 C ATOM 829 CE LYS A 57 8.058 2.224 0.667 1.00 0.00 C ATOM 830 NZ LYS A 57 8.823 2.837 -0.442 1.00 0.00 N ATOM 0 H LYS A 57 10.152 -1.310 2.820 1.00 0.00 H new ATOM 0 HA LYS A 57 10.727 1.204 1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.212 0.681 4.264 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.672 2.226 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.234 0.676 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.144 1.819 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.904 3.485 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.551 3.194 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.142 1.138 0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.000 2.467 0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.835 2.189 -1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.374 3.733 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.798 3.021 -0.131 1.00 0.00 H new ATOM 844 N SER A 58 12.722 -0.719 3.041 1.00 0.00 N ATOM 845 CA SER A 58 14.120 -1.013 3.307 1.00 0.00 C ATOM 846 C SER A 58 14.889 -1.132 1.990 1.00 0.00 C ATOM 847 O SER A 58 14.287 -1.230 0.922 1.00 0.00 O ATOM 848 CB SER A 58 14.266 -2.297 4.126 1.00 0.00 C ATOM 849 OG SER A 58 14.416 -3.445 3.296 1.00 0.00 O ATOM 0 H SER A 58 12.067 -1.429 3.369 1.00 0.00 H new ATOM 0 HA SER A 58 14.538 -0.193 3.891 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.130 -2.211 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.391 -2.422 4.763 1.00 0.00 H new ATOM 0 HG SER A 58 13.625 -3.542 2.725 1.00 0.00 H new ATOM 855 N ASN A 59 16.209 -1.120 2.110 1.00 0.00 N ATOM 856 CA ASN A 59 17.067 -1.226 0.942 1.00 0.00 C ATOM 857 C ASN A 59 17.617 -2.651 0.846 1.00 0.00 C ATOM 858 O ASN A 59 18.318 -2.987 -0.107 1.00 0.00 O ATOM 859 CB ASN A 59 18.254 -0.267 1.042 1.00 0.00 C ATOM 860 CG ASN A 59 18.839 -0.264 2.456 1.00 0.00 C ATOM 861 OD1 ASN A 59 18.546 0.591 3.275 1.00 0.00 O ATOM 862 ND2 ASN A 59 19.681 -1.265 2.695 1.00 0.00 N ATOM 0 H ASN A 59 16.705 -1.039 2.998 1.00 0.00 H new ATOM 0 HA ASN A 59 16.473 -0.974 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.023 -0.559 0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.936 0.740 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.125 -1.351 3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 59 19.883 -1.947 1.964 1.00 0.00 H new ATOM 869 N GLU A 60 17.277 -3.451 1.846 1.00 0.00 N ATOM 870 CA GLU A 60 17.728 -4.832 1.887 1.00 0.00 C ATOM 871 C GLU A 60 16.561 -5.780 1.603 1.00 0.00 C ATOM 872 O GLU A 60 15.507 -5.676 2.228 1.00 0.00 O ATOM 873 CB GLU A 60 18.383 -5.155 3.231 1.00 0.00 C ATOM 874 CG GLU A 60 17.332 -5.294 4.334 1.00 0.00 C ATOM 875 CD GLU A 60 17.830 -4.685 5.646 1.00 0.00 C ATOM 876 OE1 GLU A 60 17.708 -3.448 5.780 1.00 0.00 O ATOM 877 OE2 GLU A 60 18.323 -5.469 6.485 1.00 0.00 O ATOM 0 H GLU A 60 16.694 -3.169 2.634 1.00 0.00 H new ATOM 0 HA GLU A 60 18.481 -4.971 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.953 -6.080 3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.089 -4.368 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.410 -4.801 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.095 -6.347 4.485 1.00 0.00 H new ATOM 884 N ASP A 61 16.789 -6.682 0.660 1.00 0.00 N ATOM 885 CA ASP A 61 15.770 -7.648 0.286 1.00 0.00 C ATOM 886 C ASP A 61 15.115 -8.207 1.551 1.00 0.00 C ATOM 887 O ASP A 61 15.804 -8.682 2.453 1.00 0.00 O ATOM 888 CB ASP A 61 16.378 -8.818 -0.489 1.00 0.00 C ATOM 889 CG ASP A 61 17.688 -9.362 0.084 1.00 0.00 C ATOM 890 OD1 ASP A 61 18.724 -8.698 -0.136 1.00 0.00 O ATOM 891 OD2 ASP A 61 17.624 -10.431 0.730 1.00 0.00 O ATOM 0 H ASP A 61 17.665 -6.764 0.144 1.00 0.00 H new ATOM 0 HA ASP A 61 15.039 -7.141 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.650 -9.628 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.552 -8.502 -1.517 1.00 0.00 H new ATOM 896 N GLN A 62 13.793 -8.133 1.576 1.00 0.00 N ATOM 897 CA GLN A 62 13.037 -8.626 2.715 1.00 0.00 C ATOM 898 C GLN A 62 12.431 -9.994 2.398 1.00 0.00 C ATOM 899 O GLN A 62 11.612 -10.119 1.488 1.00 0.00 O ATOM 900 CB GLN A 62 11.953 -7.628 3.128 1.00 0.00 C ATOM 901 CG GLN A 62 11.051 -8.217 4.214 1.00 0.00 C ATOM 902 CD GLN A 62 11.831 -8.447 5.510 1.00 0.00 C ATOM 903 OE1 GLN A 62 12.244 -7.521 6.189 1.00 0.00 O ATOM 904 NE2 GLN A 62 12.009 -9.729 5.815 1.00 0.00 N ATOM 0 H GLN A 62 13.225 -7.739 0.826 1.00 0.00 H new ATOM 0 HA GLN A 62 13.720 -8.739 3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.417 -6.712 3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.353 -7.357 2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.216 -7.543 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.628 -9.160 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.637 -10.455 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.517 -9.986 6.661 1.00 0.00 H new ATOM 913 N SER A 63 12.856 -10.987 3.165 1.00 0.00 N ATOM 914 CA SER A 63 12.365 -12.342 2.977 1.00 0.00 C ATOM 915 C SER A 63 10.991 -12.496 3.631 1.00 0.00 C ATOM 916 O SER A 63 10.829 -12.215 4.817 1.00 0.00 O ATOM 917 CB SER A 63 13.344 -13.367 3.552 1.00 0.00 C ATOM 918 OG SER A 63 12.872 -14.703 3.395 1.00 0.00 O ATOM 0 H SER A 63 13.535 -10.880 3.918 1.00 0.00 H new ATOM 0 HA SER A 63 12.274 -12.527 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.310 -13.263 3.057 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.504 -13.161 4.610 1.00 0.00 H new ATOM 0 HG SER A 63 13.526 -15.327 3.773 1.00 0.00 H new ATOM 924 N MET A 64 10.036 -12.941 2.828 1.00 0.00 N ATOM 925 CA MET A 64 8.680 -13.136 3.313 1.00 0.00 C ATOM 926 C MET A 64 8.286 -14.613 3.263 1.00 0.00 C ATOM 927 O MET A 64 7.150 -14.946 2.932 1.00 0.00 O ATOM 928 CB MET A 64 7.709 -12.319 2.458 1.00 0.00 C ATOM 929 CG MET A 64 8.194 -10.877 2.303 1.00 0.00 C ATOM 930 SD MET A 64 6.953 -9.901 1.470 1.00 0.00 S ATOM 931 CE MET A 64 5.646 -9.961 2.684 1.00 0.00 C ATOM 0 H MET A 64 10.174 -13.172 1.844 1.00 0.00 H new ATOM 0 HA MET A 64 8.634 -12.803 4.350 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.608 -12.780 1.475 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.720 -12.326 2.917 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.408 -10.449 3.283 1.00 0.00 H new ATOM 0 HG3 MET A 64 9.125 -10.857 1.736 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.792 -10.500 2.273 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.003 -10.473 3.578 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.344 -8.946 2.944 1.00 0.00 H new ATOM 941 N GLY A 65 9.249 -15.461 3.598 1.00 0.00 N ATOM 942 CA GLY A 65 9.017 -16.895 3.595 1.00 0.00 C ATOM 943 C GLY A 65 8.331 -17.342 4.888 1.00 0.00 C ATOM 944 O GLY A 65 8.821 -18.235 5.578 1.00 0.00 O ATOM 0 H GLY A 65 10.191 -15.182 3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.399 -17.165 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.965 -17.420 3.482 1.00 0.00 H new ATOM 948 N ASN A 66 7.208 -16.701 5.176 1.00 0.00 N ATOM 949 CA ASN A 66 6.450 -17.022 6.374 1.00 0.00 C ATOM 950 C ASN A 66 5.539 -15.844 6.726 1.00 0.00 C ATOM 951 O ASN A 66 4.481 -16.031 7.324 1.00 0.00 O ATOM 952 CB ASN A 66 7.379 -17.272 7.563 1.00 0.00 C ATOM 953 CG ASN A 66 7.337 -18.740 7.992 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.346 -19.072 9.166 1.00 0.00 O ATOM 955 ND2 ASN A 66 7.291 -19.599 6.977 1.00 0.00 N ATOM 0 H ASN A 66 6.805 -15.961 4.601 1.00 0.00 H new ATOM 0 HA ASN A 66 5.869 -17.923 6.175 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.399 -16.996 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.085 -16.637 8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.261 -20.602 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.286 -19.254 6.017 1.00 0.00 H new ATOM 962 N TRP A 67 5.983 -14.657 6.339 1.00 0.00 N ATOM 963 CA TRP A 67 5.221 -13.449 6.606 1.00 0.00 C ATOM 964 C TRP A 67 3.748 -13.746 6.315 1.00 0.00 C ATOM 965 O TRP A 67 3.435 -14.634 5.524 1.00 0.00 O ATOM 966 CB TRP A 67 5.764 -12.268 5.799 1.00 0.00 C ATOM 967 CG TRP A 67 7.064 -11.682 6.353 1.00 0.00 C ATOM 968 CD1 TRP A 67 8.089 -12.334 6.919 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.439 -10.288 6.370 1.00 0.00 C ATOM 970 NE1 TRP A 67 9.093 -11.467 7.298 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.685 -10.183 6.954 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.749 -9.154 5.908 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.349 -8.963 7.130 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.426 -7.942 6.091 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.680 -7.820 6.677 1.00 0.00 C ATOM 0 H TRP A 67 6.861 -14.506 5.842 1.00 0.00 H new ATOM 0 HA TRP A 67 5.317 -13.155 7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.931 -12.590 4.771 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.008 -11.484 5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 67 8.125 -13.404 7.061 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.973 -11.721 7.748 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.774 -9.213 5.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.324 -8.907 7.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.940 -7.039 5.753 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.137 -6.847 6.783 1.00 0.00 H new ATOM 986 N GLN A 68 2.884 -12.984 6.970 1.00 0.00 N ATOM 987 CA GLN A 68 1.452 -13.154 6.792 1.00 0.00 C ATOM 988 C GLN A 68 0.762 -11.791 6.710 1.00 0.00 C ATOM 989 O GLN A 68 1.392 -10.758 6.933 1.00 0.00 O ATOM 990 CB GLN A 68 0.856 -14.004 7.915 1.00 0.00 C ATOM 991 CG GLN A 68 1.748 -15.209 8.223 1.00 0.00 C ATOM 992 CD GLN A 68 2.606 -14.954 9.464 1.00 0.00 C ATOM 993 OE1 GLN A 68 3.608 -14.259 9.425 1.00 0.00 O ATOM 994 NE2 GLN A 68 2.158 -15.553 10.564 1.00 0.00 N ATOM 0 H GLN A 68 3.148 -12.248 7.625 1.00 0.00 H new ATOM 0 HA GLN A 68 1.283 -13.682 5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.737 -13.396 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.138 -14.347 7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.130 -16.093 8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.392 -15.417 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.312 -16.121 10.527 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.661 -15.444 11.445 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.523 -11.832 6.391 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.306 -10.613 6.278 1.00 0.00 C ATOM 1005 C ILE A 69 -2.644 -10.803 6.994 1.00 0.00 C ATOM 1006 O ILE A 69 -3.417 -11.695 6.648 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.446 -10.201 4.811 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.201 -10.589 4.010 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.765 -8.709 4.688 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.326 -10.144 2.552 1.00 0.00 C ATOM 0 H ILE A 69 -1.042 -12.691 6.207 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.796 -9.785 6.771 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.287 -10.747 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.681 -10.133 4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.058 -11.669 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.859 -8.443 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.702 -8.494 5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.961 -8.127 5.139 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.572 -10.432 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.195 -10.621 2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.444 -9.061 2.511 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.877 -9.948 7.980 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.109 -10.011 8.748 1.00 0.00 C ATOM 1024 C ARG A 70 -5.141 -9.037 8.176 1.00 0.00 C ATOM 1025 O ARG A 70 -4.815 -7.893 7.863 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.859 -9.671 10.219 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.400 -10.907 10.996 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.263 -10.596 12.488 1.00 0.00 C ATOM 1029 NE ARG A 70 -2.255 -11.490 13.101 1.00 0.00 N ATOM 1030 CZ ARG A 70 -2.454 -12.793 13.342 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.625 -13.362 13.024 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -1.482 -13.527 13.901 1.00 0.00 N ATOM 0 H ARG A 70 -2.234 -9.209 8.264 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.489 -11.030 8.681 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.103 -8.889 10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.771 -9.275 10.665 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.115 -11.717 10.854 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.444 -11.254 10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.970 -9.555 12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.225 -10.724 12.984 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.352 -11.089 13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.365 -12.803 12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.777 -14.354 13.207 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.591 -13.094 14.143 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.633 -14.519 14.085 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.367 -9.527 8.056 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.449 -8.714 7.527 1.00 0.00 C ATOM 1048 C ARG A 71 -8.729 -8.945 8.333 1.00 0.00 C ATOM 1049 O ARG A 71 -9.204 -10.075 8.440 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.715 -9.041 6.056 1.00 0.00 C ATOM 1051 CG ARG A 71 -8.921 -8.261 5.530 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.693 -6.753 5.650 1.00 0.00 C ATOM 1053 NE ARG A 71 -8.778 -6.121 4.314 1.00 0.00 N ATOM 1054 CZ ARG A 71 -8.893 -4.801 4.113 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -8.938 -3.966 5.160 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -8.963 -4.317 2.866 1.00 0.00 N ATOM 0 H ARG A 71 -6.634 -10.476 8.316 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.149 -7.669 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.834 -8.800 5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.892 -10.111 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.102 -8.523 4.488 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.813 -8.543 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.437 -6.316 6.316 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.716 -6.558 6.092 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.747 -6.728 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.885 -4.335 6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.025 -2.961 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.929 -4.953 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.051 -3.312 2.713 1.00 0.00 H new ATOM 1070 N GLN A 72 -9.251 -7.857 8.879 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.467 -7.926 9.671 1.00 0.00 C ATOM 1072 C GLN A 72 -11.420 -6.794 9.283 1.00 0.00 C ATOM 1073 O GLN A 72 -11.147 -5.627 9.558 1.00 0.00 O ATOM 1074 CB GLN A 72 -10.149 -7.886 11.167 1.00 0.00 C ATOM 1075 CG GLN A 72 -11.215 -8.628 11.975 1.00 0.00 C ATOM 1076 CD GLN A 72 -12.558 -7.898 11.912 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -13.372 -8.116 11.029 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -12.744 -7.021 12.894 1.00 0.00 N ATOM 0 H GLN A 72 -8.854 -6.922 8.788 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.959 -8.876 9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.173 -8.336 11.347 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.089 -6.850 11.502 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.329 -9.641 11.589 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.894 -8.717 13.013 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.022 -6.887 13.602 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.609 -6.482 12.940 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.518 -7.179 8.649 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.512 -6.211 8.220 1.00 0.00 C ATOM 1089 C ASN A 73 -14.830 -6.482 8.949 1.00 0.00 C ATOM 1090 O ASN A 73 -15.226 -7.635 9.115 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.773 -6.319 6.716 1.00 0.00 C ATOM 1092 CG ASN A 73 -12.463 -6.478 5.942 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -11.556 -7.188 6.346 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.414 -5.781 4.811 1.00 0.00 N ATOM 0 H ASN A 73 -12.741 -8.148 8.422 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.134 -5.215 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.423 -7.171 6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.298 -5.429 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.582 -5.821 4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.209 -5.206 4.531 1.00 0.00 H new ATOM 1146 N LEU A 78 -11.802 -12.992 11.028 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.490 -12.438 10.740 1.00 0.00 C ATOM 1148 C LEU A 78 -9.695 -13.434 9.893 1.00 0.00 C ATOM 1149 O LEU A 78 -9.562 -14.600 10.261 1.00 0.00 O ATOM 1150 CB LEU A 78 -9.784 -12.030 12.034 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.267 -11.856 11.944 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -7.897 -10.812 10.889 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -7.671 -11.523 13.313 1.00 0.00 C ATOM 0 HA LEU A 78 -10.583 -11.524 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.217 -11.092 12.381 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.999 -12.781 12.794 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.833 -12.804 11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.813 -10.707 10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.271 -11.130 9.916 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.344 -9.853 11.153 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.591 -11.405 13.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.107 -10.596 13.684 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.889 -12.331 14.011 1.00 0.00 H new ATOM 1165 N MET A 79 -9.189 -12.938 8.773 1.00 0.00 N ATOM 1166 CA MET A 79 -8.411 -13.770 7.871 1.00 0.00 C ATOM 1167 C MET A 79 -6.928 -13.394 7.920 1.00 0.00 C ATOM 1168 O MET A 79 -6.582 -12.214 7.889 1.00 0.00 O ATOM 1169 CB MET A 79 -8.933 -13.601 6.443 1.00 0.00 C ATOM 1170 CG MET A 79 -10.436 -13.881 6.372 1.00 0.00 C ATOM 1171 SD MET A 79 -11.323 -12.368 6.039 1.00 0.00 S ATOM 1172 CE MET A 79 -10.630 -11.946 4.449 1.00 0.00 C ATOM 0 H MET A 79 -9.303 -11.971 8.470 1.00 0.00 H new ATOM 0 HA MET A 79 -8.514 -14.809 8.185 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.731 -12.588 6.096 1.00 0.00 H new ATOM 0 HB3 MET A 79 -8.401 -14.279 5.775 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.642 -14.612 5.590 1.00 0.00 H new ATOM 0 HG3 MET A 79 -10.779 -14.314 7.312 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.422 -11.594 3.788 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.886 -11.160 4.574 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.158 -12.826 4.013 1.00 0.00 H new ATOM 1182 N THR A 80 -6.093 -14.420 7.995 1.00 0.00 N ATOM 1183 CA THR A 80 -4.656 -14.213 8.049 1.00 0.00 C ATOM 1184 C THR A 80 -3.970 -14.933 6.887 1.00 0.00 C ATOM 1185 O THR A 80 -3.712 -16.134 6.961 1.00 0.00 O ATOM 1186 CB THR A 80 -4.163 -14.670 9.424 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.836 -13.808 10.338 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.681 -14.363 9.646 1.00 0.00 C ATOM 0 H THR A 80 -6.384 -15.397 8.020 1.00 0.00 H new ATOM 0 HA THR A 80 -4.404 -13.159 7.932 1.00 0.00 H new ATOM 0 HB THR A 80 -4.332 -15.741 9.533 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.123 -14.322 11.122 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.382 -14.707 10.636 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.086 -14.874 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.517 -13.288 9.571 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.692 -14.169 5.840 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.040 -14.720 4.664 1.00 0.00 C ATOM 1198 C TYR A 81 -1.538 -14.887 4.898 1.00 0.00 C ATOM 1199 O TYR A 81 -0.792 -13.909 4.894 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.260 -13.700 3.545 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.550 -14.052 2.235 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -3.114 -14.966 1.369 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -1.346 -13.454 1.921 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -2.446 -15.296 0.137 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -0.679 -13.784 0.689 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.261 -14.689 -0.143 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.631 -15.002 -1.306 1.00 0.00 O ATOM 0 H TYR A 81 -3.906 -13.173 5.782 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.448 -15.701 4.422 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.329 -13.610 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.913 -12.724 3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.056 -15.434 1.615 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.905 -12.739 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.876 -16.010 -0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.263 -13.323 0.431 1.00 0.00 H new ATOM 0 HH TYR A 81 0.203 -14.492 -1.374 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.138 -16.135 5.096 1.00 0.00 N ATOM 1218 CA ARG A 82 0.263 -16.443 5.331 1.00 0.00 C ATOM 1219 C ARG A 82 0.980 -16.700 4.004 1.00 0.00 C ATOM 1220 O ARG A 82 0.699 -17.685 3.323 1.00 0.00 O ATOM 1221 CB ARG A 82 0.413 -17.672 6.230 1.00 0.00 C ATOM 1222 CG ARG A 82 1.888 -17.987 6.487 1.00 0.00 C ATOM 1223 CD ARG A 82 2.104 -18.463 7.925 1.00 0.00 C ATOM 1224 NE ARG A 82 2.230 -19.938 7.956 1.00 0.00 N ATOM 1225 CZ ARG A 82 1.188 -20.779 8.007 1.00 0.00 C ATOM 1226 NH1 ARG A 82 -0.062 -20.297 8.033 1.00 0.00 N ATOM 1227 NH2 ARG A 82 1.397 -22.103 8.032 1.00 0.00 N ATOM 0 H ARG A 82 -1.759 -16.944 5.099 1.00 0.00 H new ATOM 0 HA ARG A 82 0.712 -15.584 5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.096 -17.498 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.070 -18.530 5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.226 -18.755 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.491 -17.099 6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.002 -18.004 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.269 -18.148 8.551 1.00 0.00 H new ATOM 0 HE ARG A 82 3.168 -20.339 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.221 -19.290 8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.855 -20.938 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.349 -22.470 8.012 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.604 -22.744 8.071 1.00 0.00 H new ATOM 1241 N PHE A 83 1.892 -15.797 3.677 1.00 0.00 N ATOM 1242 CA PHE A 83 2.651 -15.913 2.443 1.00 0.00 C ATOM 1243 C PHE A 83 3.414 -17.239 2.392 1.00 0.00 C ATOM 1244 O PHE A 83 3.558 -17.916 3.409 1.00 0.00 O ATOM 1245 CB PHE A 83 3.656 -14.759 2.426 1.00 0.00 C ATOM 1246 CG PHE A 83 3.064 -13.426 1.963 1.00 0.00 C ATOM 1247 CD1 PHE A 83 2.752 -13.239 0.653 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.850 -12.429 2.863 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.203 -12.002 0.224 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.301 -11.192 2.434 1.00 0.00 C ATOM 1251 CZ PHE A 83 1.989 -11.004 1.123 1.00 0.00 C ATOM 0 H PHE A 83 2.123 -14.982 4.245 1.00 0.00 H new ATOM 0 HA PHE A 83 1.977 -15.879 1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.067 -14.634 3.428 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.486 -15.023 1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.922 -14.031 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.098 -12.578 3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.955 -11.853 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.131 -10.400 3.148 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.572 -10.063 0.796 1.00 0.00 H new ATOM 1261 N PRO A 84 3.895 -17.578 1.166 1.00 0.00 N ATOM 1262 CA PRO A 84 4.640 -18.810 0.969 1.00 0.00 C ATOM 1263 C PRO A 84 6.058 -18.690 1.531 1.00 0.00 C ATOM 1264 O PRO A 84 6.651 -17.612 1.505 1.00 0.00 O ATOM 1265 CB PRO A 84 4.614 -19.049 -0.532 1.00 0.00 C ATOM 1266 CG PRO A 84 4.261 -17.711 -1.161 1.00 0.00 C ATOM 1267 CD PRO A 84 3.744 -16.800 -0.060 1.00 0.00 C ATOM 0 HA PRO A 84 4.204 -19.655 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.581 -19.405 -0.888 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.879 -19.810 -0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.136 -17.272 -1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.505 -17.841 -1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.314 -15.872 -0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.703 -16.526 -0.229 1.00 0.00 H new ATOM 1275 N PRO A 85 6.574 -19.841 2.039 1.00 0.00 N ATOM 1276 CA PRO A 85 7.912 -19.874 2.607 1.00 0.00 C ATOM 1277 C PRO A 85 8.975 -19.842 1.507 1.00 0.00 C ATOM 1278 O PRO A 85 10.128 -20.200 1.742 1.00 0.00 O ATOM 1279 CB PRO A 85 7.954 -21.147 3.437 1.00 0.00 C ATOM 1280 CG PRO A 85 6.809 -22.011 2.935 1.00 0.00 C ATOM 1281 CD PRO A 85 5.901 -21.135 2.087 1.00 0.00 C ATOM 0 HA PRO A 85 8.129 -19.003 3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.909 -21.658 3.319 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.840 -20.925 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.190 -22.847 2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.256 -22.436 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.770 -21.551 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.908 -21.049 2.529 1.00 0.00 H new ATOM 1289 N LYS A 86 8.549 -19.410 0.329 1.00 0.00 N ATOM 1290 CA LYS A 86 9.450 -19.326 -0.808 1.00 0.00 C ATOM 1291 C LYS A 86 9.232 -17.995 -1.529 1.00 0.00 C ATOM 1292 O LYS A 86 9.283 -17.934 -2.757 1.00 0.00 O ATOM 1293 CB LYS A 86 9.287 -20.550 -1.712 1.00 0.00 C ATOM 1294 CG LYS A 86 9.951 -21.781 -1.093 1.00 0.00 C ATOM 1295 CD LYS A 86 8.981 -22.524 -0.173 1.00 0.00 C ATOM 1296 CE LYS A 86 9.244 -24.031 -0.199 1.00 0.00 C ATOM 1297 NZ LYS A 86 10.376 -24.374 0.691 1.00 0.00 N ATOM 0 H LYS A 86 7.592 -19.114 0.137 1.00 0.00 H new ATOM 0 HA LYS A 86 10.487 -19.341 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.228 -20.747 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.728 -20.347 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.293 -22.450 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.833 -21.478 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.083 -22.151 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.955 -22.325 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.350 -24.568 0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.465 -24.350 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.542 -25.400 0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.232 -23.876 0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.151 -24.087 1.665 1.00 0.00 H new ATOM 1311 N PHE A 87 8.993 -16.961 -0.736 1.00 0.00 N ATOM 1312 CA PHE A 87 8.766 -15.634 -1.284 1.00 0.00 C ATOM 1313 C PHE A 87 9.669 -14.600 -0.608 1.00 0.00 C ATOM 1314 O PHE A 87 9.869 -14.645 0.605 1.00 0.00 O ATOM 1315 CB PHE A 87 7.305 -15.278 -1.004 1.00 0.00 C ATOM 1316 CG PHE A 87 6.760 -14.149 -1.882 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.501 -14.375 -3.198 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.536 -12.920 -1.346 1.00 0.00 C ATOM 1319 CE1 PHE A 87 5.996 -13.327 -4.012 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.031 -11.872 -2.160 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.772 -12.098 -3.476 1.00 0.00 C ATOM 0 H PHE A 87 8.952 -17.015 0.282 1.00 0.00 H new ATOM 0 HA PHE A 87 8.988 -15.629 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.691 -16.167 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.206 -14.990 0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.679 -15.351 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.742 -12.741 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.790 -13.506 -5.057 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.853 -10.896 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.388 -11.301 -4.095 1.00 0.00 H new ATOM 1331 N THR A 88 10.190 -13.694 -1.422 1.00 0.00 N ATOM 1332 CA THR A 88 11.066 -12.651 -0.917 1.00 0.00 C ATOM 1333 C THR A 88 10.777 -11.324 -1.621 1.00 0.00 C ATOM 1334 O THR A 88 10.959 -11.207 -2.832 1.00 0.00 O ATOM 1335 CB THR A 88 12.511 -13.125 -1.085 1.00 0.00 C ATOM 1336 OG1 THR A 88 12.828 -13.726 0.168 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.499 -11.963 -1.201 1.00 0.00 C ATOM 0 H THR A 88 10.022 -13.661 -2.428 1.00 0.00 H new ATOM 0 HA THR A 88 10.890 -12.466 0.143 1.00 0.00 H new ATOM 0 HB THR A 88 12.585 -13.754 -1.972 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.013 -14.092 0.571 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.509 -12.355 -1.318 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.243 -11.353 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.449 -11.352 -0.300 1.00 0.00 H new ATOM 1345 N LEU A 89 10.330 -10.357 -0.833 1.00 0.00 N ATOM 1346 CA LEU A 89 10.013 -9.043 -1.366 1.00 0.00 C ATOM 1347 C LEU A 89 11.282 -8.189 -1.393 1.00 0.00 C ATOM 1348 O LEU A 89 11.668 -7.612 -0.377 1.00 0.00 O ATOM 1349 CB LEU A 89 8.862 -8.410 -0.581 1.00 0.00 C ATOM 1350 CG LEU A 89 8.530 -6.959 -0.932 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.872 -6.865 -2.310 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.672 -6.314 0.158 1.00 0.00 C ATOM 0 H LEU A 89 10.180 -10.457 0.171 1.00 0.00 H new ATOM 0 HA LEU A 89 9.661 -9.124 -2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.968 -9.014 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.102 -8.460 0.481 1.00 0.00 H new ATOM 0 HG LEU A 89 9.463 -6.398 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.646 -5.823 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.551 -7.260 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.949 -7.445 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.450 -5.283 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.740 -6.870 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.213 -6.329 1.104 1.00 0.00 H new ATOM 1364 N LYS A 90 11.896 -8.135 -2.565 1.00 0.00 N ATOM 1365 CA LYS A 90 13.114 -7.361 -2.738 1.00 0.00 C ATOM 1366 C LYS A 90 12.922 -5.973 -2.122 1.00 0.00 C ATOM 1367 O LYS A 90 11.815 -5.613 -1.726 1.00 0.00 O ATOM 1368 CB LYS A 90 13.524 -7.329 -4.211 1.00 0.00 C ATOM 1369 CG LYS A 90 13.971 -8.713 -4.686 1.00 0.00 C ATOM 1370 CD LYS A 90 15.320 -8.637 -5.404 1.00 0.00 C ATOM 1371 CE LYS A 90 16.434 -8.233 -4.436 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.453 -7.414 -5.132 1.00 0.00 N ATOM 0 H LYS A 90 11.573 -8.615 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 90 13.944 -7.832 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.686 -6.985 -4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.334 -6.613 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.047 -9.387 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.221 -9.131 -5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.554 -9.604 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.262 -7.916 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.014 -7.670 -3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.900 -9.124 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.202 -7.148 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.866 -7.963 -5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.007 -6.555 -5.512 1.00 0.00 H new ATOM 1386 N ALA A 91 14.018 -5.231 -2.062 1.00 0.00 N ATOM 1387 CA ALA A 91 13.985 -3.891 -1.501 1.00 0.00 C ATOM 1388 C ALA A 91 13.493 -2.910 -2.567 1.00 0.00 C ATOM 1389 O ALA A 91 13.884 -3.002 -3.729 1.00 0.00 O ATOM 1390 CB ALA A 91 15.372 -3.526 -0.968 1.00 0.00 C ATOM 0 H ALA A 91 14.935 -5.532 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 91 13.291 -3.843 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.347 -2.521 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.663 -4.236 -0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.095 -3.561 -1.783 1.00 0.00 H new ATOM 1396 N GLY A 92 12.641 -1.993 -2.132 1.00 0.00 N ATOM 1397 CA GLY A 92 12.091 -0.995 -3.034 1.00 0.00 C ATOM 1398 C GLY A 92 11.090 -1.626 -4.005 1.00 0.00 C ATOM 1399 O GLY A 92 10.576 -0.952 -4.896 1.00 0.00 O ATOM 0 H GLY A 92 12.318 -1.920 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.600 -0.211 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.898 -0.522 -3.594 1.00 0.00 H new ATOM 1403 N GLN A 93 10.845 -2.912 -3.799 1.00 0.00 N ATOM 1404 CA GLN A 93 9.916 -3.641 -4.645 1.00 0.00 C ATOM 1405 C GLN A 93 8.503 -3.574 -4.062 1.00 0.00 C ATOM 1406 O GLN A 93 8.311 -3.103 -2.942 1.00 0.00 O ATOM 1407 CB GLN A 93 10.365 -5.092 -4.830 1.00 0.00 C ATOM 1408 CG GLN A 93 10.972 -5.306 -6.218 1.00 0.00 C ATOM 1409 CD GLN A 93 12.101 -4.307 -6.482 1.00 0.00 C ATOM 1410 OE1 GLN A 93 13.122 -4.409 -5.635 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 12.049 -3.499 -7.394 1.00 0.00 N flip ATOM 0 H GLN A 93 11.274 -3.467 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 93 9.905 -3.171 -5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.098 -5.350 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.514 -5.760 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.355 -6.323 -6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.199 -5.196 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.235 -3.475 -8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.820 -2.848 -7.543 1.00 0.00 H new ATOM 1420 N VAL A 94 7.549 -4.053 -4.848 1.00 0.00 N ATOM 1421 CA VAL A 94 6.160 -4.054 -4.423 1.00 0.00 C ATOM 1422 C VAL A 94 5.487 -5.344 -4.896 1.00 0.00 C ATOM 1423 O VAL A 94 5.925 -5.956 -5.869 1.00 0.00 O ATOM 1424 CB VAL A 94 5.457 -2.793 -4.931 1.00 0.00 C ATOM 1425 CG1 VAL A 94 5.445 -2.750 -6.460 1.00 0.00 C ATOM 1426 CG2 VAL A 94 4.038 -2.693 -4.368 1.00 0.00 C ATOM 0 H VAL A 94 7.711 -4.443 -5.776 1.00 0.00 H new ATOM 0 HA VAL A 94 6.094 -4.032 -3.335 1.00 0.00 H new ATOM 0 HB VAL A 94 6.020 -1.929 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.940 -1.844 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.470 -2.753 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.917 -3.623 -6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.560 -1.788 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.461 -3.564 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.080 -2.655 -3.279 1.00 0.00 H new ATOM 1436 N VAL A 95 4.435 -5.720 -4.185 1.00 0.00 N ATOM 1437 CA VAL A 95 3.697 -6.927 -4.519 1.00 0.00 C ATOM 1438 C VAL A 95 2.203 -6.685 -4.296 1.00 0.00 C ATOM 1439 O VAL A 95 1.815 -6.025 -3.333 1.00 0.00 O ATOM 1440 CB VAL A 95 4.238 -8.110 -3.715 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.277 -7.786 -2.220 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.418 -9.374 -3.980 1.00 0.00 C ATOM 0 H VAL A 95 4.075 -5.210 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 95 3.831 -7.178 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 95 5.260 -8.298 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.666 -8.644 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.923 -6.925 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.270 -7.558 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.824 -10.200 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.381 -9.202 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.464 -9.622 -5.040 1.00 0.00 H new ATOM 1452 N THR A 96 1.406 -7.232 -5.201 1.00 0.00 N ATOM 1453 CA THR A 96 -0.037 -7.084 -5.115 1.00 0.00 C ATOM 1454 C THR A 96 -0.704 -8.450 -4.938 1.00 0.00 C ATOM 1455 O THR A 96 -0.417 -9.386 -5.683 1.00 0.00 O ATOM 1456 CB THR A 96 -0.511 -6.334 -6.361 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.475 -5.323 -6.553 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.804 -5.553 -6.118 1.00 0.00 C ATOM 0 H THR A 96 1.732 -7.779 -5.998 1.00 0.00 H new ATOM 0 HA THR A 96 -0.323 -6.502 -4.239 1.00 0.00 H new ATOM 0 HB THR A 96 -0.663 -7.042 -7.175 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.247 -4.789 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.096 -5.039 -7.034 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.595 -6.242 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.644 -4.821 -5.327 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.581 -8.521 -3.947 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.290 -9.756 -3.663 1.00 0.00 C ATOM 1468 C ILE A 97 -3.785 -9.550 -3.915 1.00 0.00 C ATOM 1469 O ILE A 97 -4.532 -9.212 -2.998 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.967 -10.247 -2.250 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.462 -10.464 -2.076 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.770 -11.504 -1.909 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.232 -9.171 -1.646 1.00 0.00 C ATOM 0 H ILE A 97 -1.816 -7.743 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.959 -10.548 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.265 -9.473 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.287 -11.240 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.031 -10.818 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.521 -11.832 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.836 -11.282 -1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.526 -12.295 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.300 -9.353 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.075 -8.404 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.184 -8.833 -0.697 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.177 -9.763 -5.162 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.570 -9.605 -5.547 1.00 0.00 C ATOM 1487 C TRP A 98 -6.374 -10.722 -4.879 1.00 0.00 C ATOM 1488 O TRP A 98 -5.807 -11.717 -4.430 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.720 -9.587 -7.069 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.798 -8.591 -7.774 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.509 -8.750 -8.104 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -5.149 -7.266 -8.226 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -3.005 -7.629 -8.732 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -4.035 -6.698 -8.809 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.368 -6.570 -8.145 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -4.028 -5.409 -9.356 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.345 -5.283 -8.696 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.232 -4.697 -9.286 1.00 0.00 C ATOM 0 H TRP A 98 -3.555 -10.044 -5.920 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.958 -8.645 -5.206 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.521 -10.587 -7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.754 -9.349 -7.319 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.936 -9.643 -7.904 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.053 -7.506 -9.076 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.252 -6.995 -7.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.142 -4.987 -9.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.257 -4.705 -8.660 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.295 -3.697 -9.689 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.683 -10.520 -4.835 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.571 -11.498 -4.230 1.00 0.00 C ATOM 1511 C ALA A 99 -9.349 -12.223 -5.329 1.00 0.00 C ATOM 1512 O ALA A 99 -9.769 -11.607 -6.308 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.492 -10.800 -3.227 1.00 0.00 C ATOM 0 H ALA A 99 -8.150 -9.694 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.000 -12.247 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.158 -11.534 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.892 -10.326 -2.451 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.083 -10.043 -3.742 1.00 0.00 H new ATOM 1519 N SER A 100 -9.518 -13.523 -5.132 1.00 0.00 N ATOM 1520 CA SER A 100 -10.238 -14.338 -6.095 1.00 0.00 C ATOM 1521 C SER A 100 -11.434 -13.560 -6.649 1.00 0.00 C ATOM 1522 O SER A 100 -11.690 -13.584 -7.852 1.00 0.00 O ATOM 1523 CB SER A 100 -10.706 -15.651 -5.464 1.00 0.00 C ATOM 1524 OG SER A 100 -11.747 -16.265 -6.219 1.00 0.00 O ATOM 0 H SER A 100 -9.169 -14.031 -4.320 1.00 0.00 H new ATOM 0 HA SER A 100 -9.560 -14.580 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.862 -16.337 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.057 -15.461 -4.450 1.00 0.00 H new ATOM 0 HG SER A 100 -12.017 -17.101 -5.784 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.133 -12.890 -5.746 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.295 -12.106 -6.130 1.00 0.00 C ATOM 1532 C GLY A 101 -12.975 -11.197 -7.318 1.00 0.00 C ATOM 1533 O GLY A 101 -13.542 -11.358 -8.398 1.00 0.00 O ATOM 0 H GLY A 101 -11.918 -12.873 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.118 -12.772 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.627 -11.503 -5.285 1.00 0.00 H new ATOM 1537 N ALA A 102 -12.068 -10.261 -7.079 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.666 -9.326 -8.116 1.00 0.00 C ATOM 1539 C ALA A 102 -11.258 -10.105 -9.368 1.00 0.00 C ATOM 1540 O ALA A 102 -10.994 -11.304 -9.299 1.00 0.00 O ATOM 1541 CB ALA A 102 -10.540 -8.435 -7.591 1.00 0.00 C ATOM 0 H ALA A 102 -11.600 -10.130 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.496 -8.675 -8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.238 -7.734 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.890 -7.882 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.688 -9.054 -7.310 1.00 0.00 H new ATOM 1547 N GLY A 103 -11.219 -9.391 -10.484 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.847 -10.000 -11.750 1.00 0.00 C ATOM 1549 C GLY A 103 -9.356 -9.809 -12.033 1.00 0.00 C ATOM 1550 O GLY A 103 -8.971 -9.477 -13.154 1.00 0.00 O ATOM 0 H GLY A 103 -11.439 -8.396 -10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.083 -11.064 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.433 -9.559 -12.556 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.557 -10.026 -10.999 1.00 0.00 N ATOM 1555 CA ALA A 104 -7.116 -9.881 -11.123 1.00 0.00 C ATOM 1556 C ALA A 104 -6.558 -11.054 -11.932 1.00 0.00 C ATOM 1557 O ALA A 104 -7.317 -11.830 -12.511 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.491 -9.783 -9.730 1.00 0.00 C ATOM 0 H ALA A 104 -8.880 -10.301 -10.071 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.867 -8.964 -11.657 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.410 -9.674 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.899 -8.918 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.717 -10.687 -9.165 1.00 0.00 H new ATOM 1564 N THR A 105 -5.237 -11.146 -11.945 1.00 0.00 N ATOM 1565 CA THR A 105 -4.568 -12.211 -12.673 1.00 0.00 C ATOM 1566 C THR A 105 -3.301 -12.647 -11.935 1.00 0.00 C ATOM 1567 O THR A 105 -2.436 -11.825 -11.640 1.00 0.00 O ATOM 1568 CB THR A 105 -4.302 -11.716 -14.097 1.00 0.00 C ATOM 1569 OG1 THR A 105 -5.466 -12.104 -14.822 1.00 0.00 O ATOM 1570 CG2 THR A 105 -3.166 -12.480 -14.779 1.00 0.00 C ATOM 0 H THR A 105 -4.611 -10.500 -11.463 1.00 0.00 H new ATOM 0 HA THR A 105 -5.193 -13.102 -12.734 1.00 0.00 H new ATOM 0 HB THR A 105 -4.062 -10.653 -14.073 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.249 -12.056 -14.234 1.00 0.00 H new ATOM 0 HG21 THR A 105 -3.018 -12.090 -15.786 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.248 -12.357 -14.204 1.00 0.00 H new ATOM 0 HG23 THR A 105 -3.421 -13.538 -14.834 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.232 -13.941 -11.659 1.00 0.00 N ATOM 1579 CA HIS A 106 -2.085 -14.497 -10.961 1.00 0.00 C ATOM 1580 C HIS A 106 -0.816 -14.246 -11.778 1.00 0.00 C ATOM 1581 O HIS A 106 -0.496 -15.012 -12.686 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.305 -15.979 -10.648 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.426 -16.509 -9.541 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.731 -16.351 -8.200 1.00 0.00 N ATOM 1585 CD2 HIS A 106 -0.250 -17.198 -9.590 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.774 -16.922 -7.483 1.00 0.00 C ATOM 1587 NE2 HIS A 106 0.143 -17.446 -8.346 1.00 0.00 N ATOM 0 H HIS A 106 -3.952 -14.620 -11.906 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.962 -13.997 -10.000 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.349 -16.131 -10.374 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -2.125 -16.561 -11.552 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.273 -17.492 -10.488 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.728 -16.965 -6.405 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.991 -17.946 -8.080 1.00 0.00 H new ATOM 1595 N SER A 107 -0.127 -13.170 -11.426 1.00 0.00 N ATOM 1596 CA SER A 107 1.100 -12.809 -12.115 1.00 0.00 C ATOM 1597 C SER A 107 2.203 -12.509 -11.098 1.00 0.00 C ATOM 1598 O SER A 107 2.666 -11.375 -10.996 1.00 0.00 O ATOM 1599 CB SER A 107 0.882 -11.603 -13.032 1.00 0.00 C ATOM 1600 OG SER A 107 0.899 -11.970 -14.409 1.00 0.00 O ATOM 0 H SER A 107 -0.395 -12.537 -10.673 1.00 0.00 H new ATOM 0 HA SER A 107 1.405 -13.653 -12.734 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.073 -11.134 -12.793 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.658 -10.860 -12.845 1.00 0.00 H new ATOM 0 HG SER A 107 0.755 -11.174 -14.962 1.00 0.00 H new ATOM 1606 N PRO A 108 2.601 -13.575 -10.353 1.00 0.00 N ATOM 1607 CA PRO A 108 3.641 -13.437 -9.347 1.00 0.00 C ATOM 1608 C PRO A 108 5.022 -13.331 -9.997 1.00 0.00 C ATOM 1609 O PRO A 108 5.165 -13.550 -11.199 1.00 0.00 O ATOM 1610 CB PRO A 108 3.495 -14.662 -8.460 1.00 0.00 C ATOM 1611 CG PRO A 108 2.690 -15.668 -9.267 1.00 0.00 C ATOM 1612 CD PRO A 108 2.075 -14.933 -10.447 1.00 0.00 C ATOM 0 HA PRO A 108 3.541 -12.523 -8.761 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.470 -15.068 -8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.986 -14.412 -7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.330 -16.479 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.912 -16.118 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.352 -15.400 -11.392 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.986 -14.940 -10.394 1.00 0.00 H new ATOM 1620 N PRO A 109 6.031 -12.987 -9.152 1.00 0.00 N ATOM 1621 CA PRO A 109 5.776 -12.746 -7.742 1.00 0.00 C ATOM 1622 C PRO A 109 5.092 -11.394 -7.532 1.00 0.00 C ATOM 1623 O PRO A 109 4.573 -11.118 -6.451 1.00 0.00 O ATOM 1624 CB PRO A 109 7.139 -12.832 -7.076 1.00 0.00 C ATOM 1625 CG PRO A 109 8.159 -12.656 -8.189 1.00 0.00 C ATOM 1626 CD PRO A 109 7.435 -12.819 -9.515 1.00 0.00 C ATOM 0 HA PRO A 109 5.089 -13.473 -7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.252 -12.058 -6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.269 -13.791 -6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.626 -11.673 -8.127 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.956 -13.393 -8.096 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.577 -11.947 -10.154 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.808 -13.682 -10.066 1.00 0.00 H new ATOM 1634 N THR A 110 5.114 -10.586 -8.582 1.00 0.00 N ATOM 1635 CA THR A 110 4.502 -9.269 -8.526 1.00 0.00 C ATOM 1636 C THR A 110 3.031 -9.381 -8.120 1.00 0.00 C ATOM 1637 O THR A 110 2.694 -9.235 -6.946 1.00 0.00 O ATOM 1638 CB THR A 110 4.708 -8.594 -9.884 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.213 -9.545 -10.823 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.188 -8.448 -10.246 1.00 0.00 C ATOM 0 H THR A 110 5.546 -10.818 -9.476 1.00 0.00 H new ATOM 0 HA THR A 110 4.971 -8.647 -7.763 1.00 0.00 H new ATOM 0 HB THR A 110 4.237 -7.611 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.929 -10.355 -10.350 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.279 -7.963 -11.218 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.689 -7.843 -9.491 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.651 -9.434 -10.287 1.00 0.00 H new ATOM 1648 N ASP A 111 2.194 -9.640 -9.114 1.00 0.00 N ATOM 1649 CA ASP A 111 0.767 -9.773 -8.876 1.00 0.00 C ATOM 1650 C ASP A 111 0.474 -11.173 -8.334 1.00 0.00 C ATOM 1651 O ASP A 111 1.143 -12.138 -8.701 1.00 0.00 O ATOM 1652 CB ASP A 111 -0.027 -9.590 -10.170 1.00 0.00 C ATOM 1653 CG ASP A 111 -0.237 -8.137 -10.601 1.00 0.00 C ATOM 1654 OD1 ASP A 111 0.239 -7.251 -9.859 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -0.869 -7.946 -11.662 1.00 0.00 O ATOM 0 H ASP A 111 2.477 -9.761 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 111 0.471 -9.005 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.487 -10.120 -10.972 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.002 -10.062 -10.050 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.528 -11.241 -7.470 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.919 -12.508 -6.874 1.00 0.00 C ATOM 1662 C LEU A 112 -2.444 -12.568 -6.768 1.00 0.00 C ATOM 1663 O LEU A 112 -3.113 -11.536 -6.805 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.201 -12.716 -5.540 1.00 0.00 C ATOM 1665 CG LEU A 112 1.224 -13.267 -5.624 1.00 0.00 C ATOM 1666 CD1 LEU A 112 1.995 -12.992 -4.331 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.217 -14.755 -5.981 1.00 0.00 C ATOM 0 H LEU A 112 -1.081 -10.439 -7.168 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.611 -13.339 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.170 -11.762 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.797 -13.396 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 112 1.745 -12.746 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.005 -13.394 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.046 -11.917 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.485 -13.469 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.242 -15.121 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.673 -15.310 -5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.731 -14.895 -6.947 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.949 -13.786 -6.638 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.382 -13.994 -6.526 1.00 0.00 C ATOM 1681 C VAL A 113 -4.671 -14.892 -5.322 1.00 0.00 C ATOM 1682 O VAL A 113 -4.136 -15.996 -5.224 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.934 -14.557 -7.838 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.394 -14.984 -7.680 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.778 -13.547 -8.976 1.00 0.00 C ATOM 0 H VAL A 113 -2.391 -14.639 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.892 -13.046 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.352 -15.443 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.762 -15.380 -8.627 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.467 -15.754 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.996 -14.123 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.178 -13.972 -9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.323 -12.635 -8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.722 -13.313 -9.113 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.515 -14.386 -4.435 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.880 -15.129 -3.241 1.00 0.00 C ATOM 1697 C TRP A 114 -7.073 -16.023 -3.587 1.00 0.00 C ATOM 1698 O TRP A 114 -8.213 -15.561 -3.613 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.162 -14.183 -2.071 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.188 -14.873 -0.706 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -5.855 -16.138 -0.414 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.582 -14.280 0.549 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.007 -16.403 0.932 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.463 -15.237 1.536 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -7.026 -12.978 0.841 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.767 -14.994 2.881 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -7.326 -12.751 2.190 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -7.211 -13.704 3.195 1.00 0.00 C ATOM 0 H TRP A 114 -5.957 -13.470 -4.519 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.055 -15.761 -2.912 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.402 -13.402 -2.057 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.121 -13.692 -2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.511 -16.859 -1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.819 -17.291 1.398 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.128 -12.214 0.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.665 -15.760 3.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.671 -11.766 2.469 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.463 -13.450 4.214 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.769 -17.287 -3.843 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.802 -18.249 -4.187 1.00 0.00 C ATOM 1721 C LYS A 115 -8.473 -18.750 -2.906 1.00 0.00 C ATOM 1722 O LYS A 115 -9.696 -18.860 -2.844 1.00 0.00 O ATOM 1723 CB LYS A 115 -7.224 -19.368 -5.056 1.00 0.00 C ATOM 1724 CG LYS A 115 -7.964 -19.462 -6.392 1.00 0.00 C ATOM 1725 CD LYS A 115 -8.103 -20.919 -6.840 1.00 0.00 C ATOM 1726 CE LYS A 115 -9.564 -21.371 -6.788 1.00 0.00 C ATOM 1727 NZ LYS A 115 -9.739 -22.645 -7.520 1.00 0.00 N ATOM 0 H LYS A 115 -5.823 -17.667 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.577 -17.776 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.165 -19.184 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.298 -20.319 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.952 -19.011 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -7.426 -18.894 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.720 -21.029 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.497 -21.560 -6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.876 -21.495 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.204 -20.604 -7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -10.736 -22.937 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.461 -22.515 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.143 -23.379 -7.087 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.642 -19.040 -1.915 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.139 -19.526 -0.640 1.00 0.00 C ATOM 1743 C ALA A 116 -9.362 -18.704 -0.227 1.00 0.00 C ATOM 1744 O ALA A 116 -10.349 -19.254 0.260 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.019 -19.467 0.401 1.00 0.00 C ATOM 0 H ALA A 116 -6.628 -18.947 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.453 -20.566 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.392 -19.832 1.358 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.186 -20.090 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.680 -18.437 0.513 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.258 -17.400 -0.438 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.343 -16.498 -0.094 1.00 0.00 C ATOM 1753 C GLN A 117 -11.085 -16.055 -1.357 1.00 0.00 C ATOM 1754 O GLN A 117 -10.634 -16.318 -2.471 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.824 -15.290 0.689 1.00 0.00 C ATOM 1756 CG GLN A 117 -10.407 -15.262 2.103 1.00 0.00 C ATOM 1757 CD GLN A 117 -11.782 -14.592 2.117 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -12.252 -14.060 1.125 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -12.399 -14.647 3.294 1.00 0.00 N ATOM 0 H GLN A 117 -8.439 -16.947 -0.843 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.044 -17.032 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.736 -15.326 0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.088 -14.372 0.165 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.490 -16.279 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.731 -14.726 2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.949 -15.108 4.085 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.322 -14.228 3.406 1.00 0.00 H new ATOM 1768 N ASN A 118 -12.211 -15.390 -1.141 1.00 0.00 N ATOM 1769 CA ASN A 118 -13.020 -14.908 -2.247 1.00 0.00 C ATOM 1770 C ASN A 118 -13.016 -13.378 -2.248 1.00 0.00 C ATOM 1771 O ASN A 118 -13.440 -12.753 -3.219 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.470 -15.377 -2.115 1.00 0.00 C ATOM 1773 CG ASN A 118 -14.834 -15.627 -0.649 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -14.526 -14.620 0.163 1.00 0.00 O flip ATOM 1775 ND2 ASN A 118 -15.359 -16.664 -0.281 1.00 0.00 N flip ATOM 0 H ASN A 118 -12.582 -15.174 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.596 -15.302 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -15.139 -14.626 -2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.614 -16.292 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -15.569 -17.398 -0.958 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -15.589 -16.798 0.704 1.00 0.00 H new ATOM 1782 N THR A 119 -12.532 -12.819 -1.149 1.00 0.00 N ATOM 1783 CA THR A 119 -12.467 -11.374 -1.011 1.00 0.00 C ATOM 1784 C THR A 119 -11.721 -10.994 0.270 1.00 0.00 C ATOM 1785 O THR A 119 -11.780 -11.715 1.264 1.00 0.00 O ATOM 1786 CB THR A 119 -13.896 -10.829 -1.066 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.738 -9.422 -0.904 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.731 -11.252 0.144 1.00 0.00 C ATOM 0 H THR A 119 -12.181 -13.340 -0.346 1.00 0.00 H new ATOM 0 HA THR A 119 -11.900 -10.924 -1.826 1.00 0.00 H new ATOM 0 HB THR A 119 -14.380 -11.174 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 119 -14.617 -8.989 -0.929 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.736 -10.839 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.788 -12.340 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.265 -10.879 1.056 1.00 0.00 H new ATOM 1796 N TRP A 120 -11.037 -9.861 0.204 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.280 -9.376 1.345 1.00 0.00 C ATOM 1798 C TRP A 120 -11.276 -8.924 2.415 1.00 0.00 C ATOM 1799 O TRP A 120 -11.026 -9.085 3.609 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.307 -8.271 0.929 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.971 -8.788 0.391 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.547 -8.811 -0.880 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.896 -9.360 1.164 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.282 -9.353 -0.982 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.874 -9.698 0.301 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.790 -9.585 2.548 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.673 -10.280 0.725 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.584 -10.168 2.956 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.545 -10.513 2.099 1.00 0.00 C ATOM 0 H TRP A 120 -10.991 -9.265 -0.622 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.658 -10.169 1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.780 -7.653 0.165 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.116 -7.627 1.787 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -8.123 -8.451 -1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.745 -9.477 -1.841 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.577 -9.328 3.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.888 -10.535 0.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.452 -10.363 4.010 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.643 -10.959 2.492 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.384 -8.367 1.949 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.419 -7.891 2.851 1.00 0.00 C ATOM 1822 C GLY A 121 -13.785 -6.437 2.546 1.00 0.00 C ATOM 1823 O GLY A 121 -12.907 -5.610 2.304 1.00 0.00 O ATOM 0 H GLY A 121 -12.588 -8.235 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.305 -8.520 2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.075 -7.975 3.882 1.00 0.00 H new ATOM 1827 N CYS A 122 -15.082 -6.170 2.567 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.575 -4.830 2.296 1.00 0.00 C ATOM 1829 C CYS A 122 -16.323 -4.333 3.535 1.00 0.00 C ATOM 1830 O CYS A 122 -16.320 -4.994 4.573 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.455 -4.794 1.045 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.515 -6.284 0.982 1.00 0.00 S ATOM 0 H CYS A 122 -15.807 -6.859 2.768 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.736 -4.166 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -17.074 -3.897 1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.831 -4.744 0.153 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.260 -6.242 -0.083 1.00 0.00 H new ATOM 1838 N GLY A 123 -16.946 -3.174 3.386 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.696 -2.581 4.480 1.00 0.00 C ATOM 1840 C GLY A 123 -17.130 -1.209 4.853 1.00 0.00 C ATOM 1841 O GLY A 123 -16.062 -0.824 4.379 1.00 0.00 O ATOM 0 H GLY A 123 -16.947 -2.629 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.743 -2.481 4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.663 -3.240 5.348 1.00 0.00 H new ATOM 1845 N SER A 124 -17.871 -0.509 5.699 1.00 0.00 N ATOM 1846 CA SER A 124 -17.457 0.811 6.142 1.00 0.00 C ATOM 1847 C SER A 124 -16.187 0.705 6.989 1.00 0.00 C ATOM 1848 O SER A 124 -15.173 1.326 6.675 1.00 0.00 O ATOM 1849 CB SER A 124 -18.568 1.500 6.936 1.00 0.00 C ATOM 1850 OG SER A 124 -18.893 0.789 8.127 1.00 0.00 O ATOM 0 H SER A 124 -18.756 -0.832 6.090 1.00 0.00 H new ATOM 0 HA SER A 124 -17.249 1.417 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.256 2.513 7.192 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.458 1.589 6.313 1.00 0.00 H new ATOM 0 HG SER A 124 -19.605 1.262 8.606 1.00 0.00 H new ATOM 1856 N SER A 125 -16.284 -0.088 8.046 1.00 0.00 N ATOM 1857 CA SER A 125 -15.156 -0.284 8.940 1.00 0.00 C ATOM 1858 C SER A 125 -14.244 -1.387 8.399 1.00 0.00 C ATOM 1859 O SER A 125 -14.686 -2.515 8.187 1.00 0.00 O ATOM 1860 CB SER A 125 -15.627 -0.632 10.354 1.00 0.00 C ATOM 1861 OG SER A 125 -16.526 0.344 10.872 1.00 0.00 O ATOM 0 H SER A 125 -17.127 -0.602 8.303 1.00 0.00 H new ATOM 0 HA SER A 125 -14.596 0.649 8.992 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.116 -1.606 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.763 -0.716 11.014 1.00 0.00 H new ATOM 0 HG SER A 125 -16.805 0.085 11.775 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.987 -1.022 8.190 1.00 0.00 N ATOM 1868 CA LEU A 126 -12.009 -1.966 7.677 1.00 0.00 C ATOM 1869 C LEU A 126 -10.678 -1.759 8.402 1.00 0.00 C ATOM 1870 O LEU A 126 -10.398 -0.667 8.893 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.905 -1.855 6.154 1.00 0.00 C ATOM 1872 CG LEU A 126 -13.212 -1.575 5.411 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.962 -0.725 4.163 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.944 -2.877 5.080 1.00 0.00 C ATOM 0 H LEU A 126 -12.624 -0.085 8.367 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.325 -2.990 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.197 -1.061 5.915 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.484 -2.784 5.770 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.862 -0.998 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.908 -0.540 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.515 0.226 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.285 -1.254 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.870 -2.650 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.310 -3.500 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.174 -3.410 6.003 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.893 -2.826 8.445 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.598 -2.775 9.102 1.00 0.00 C ATOM 1888 C ARG A 127 -7.707 -3.917 8.608 1.00 0.00 C ATOM 1889 O ARG A 127 -8.117 -5.076 8.616 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.746 -2.873 10.622 1.00 0.00 C ATOM 1891 CG ARG A 127 -8.441 -1.531 11.290 1.00 0.00 C ATOM 1892 CD ARG A 127 -9.006 -1.486 12.712 1.00 0.00 C ATOM 1893 NE ARG A 127 -7.932 -1.149 13.673 1.00 0.00 N ATOM 1894 CZ ARG A 127 -8.006 -1.374 14.992 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -9.104 -1.936 15.514 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -6.983 -1.035 15.788 1.00 0.00 N ATOM 0 H ARG A 127 -10.129 -3.730 8.036 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.139 -1.818 8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.759 -3.186 10.873 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -8.071 -3.637 11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.363 -1.371 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.868 -0.721 10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.804 -0.746 12.772 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -9.445 -2.450 12.968 1.00 0.00 H new ATOM 0 HE ARG A 127 -7.082 -0.718 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -9.883 -2.192 14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -9.161 -2.108 16.518 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -6.148 -0.606 15.390 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.039 -1.206 16.792 1.00 0.00 H new ATOM 1910 N THR A 128 -6.504 -3.549 8.191 1.00 0.00 N ATOM 1911 CA THR A 128 -5.552 -4.528 7.695 1.00 0.00 C ATOM 1912 C THR A 128 -4.249 -4.457 8.494 1.00 0.00 C ATOM 1913 O THR A 128 -3.932 -3.423 9.080 1.00 0.00 O ATOM 1914 CB THR A 128 -5.361 -4.284 6.197 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.574 -4.749 5.612 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.285 -5.187 5.590 1.00 0.00 C ATOM 0 H THR A 128 -6.167 -2.586 8.187 1.00 0.00 H new ATOM 0 HA THR A 128 -5.923 -5.544 7.829 1.00 0.00 H new ATOM 0 HB THR A 128 -5.096 -3.240 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.372 -5.437 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.189 -4.974 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.332 -5.000 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.567 -6.231 5.727 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.529 -5.569 8.490 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.268 -5.646 9.207 1.00 0.00 C ATOM 1926 C ALA A 129 -1.345 -6.641 8.501 1.00 0.00 C ATOM 1927 O ALA A 129 -1.809 -7.506 7.761 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.531 -6.029 10.665 1.00 0.00 C ATOM 0 H ALA A 129 -3.795 -6.424 8.002 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.769 -4.677 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.584 -6.087 11.202 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.167 -5.276 11.130 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.029 -6.998 10.703 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.054 -6.484 8.755 1.00 0.00 N ATOM 1935 CA LEU A 130 0.939 -7.358 8.153 1.00 0.00 C ATOM 1936 C LEU A 130 1.775 -8.010 9.256 1.00 0.00 C ATOM 1937 O LEU A 130 2.266 -7.327 10.153 1.00 0.00 O ATOM 1938 CB LEU A 130 1.771 -6.594 7.121 1.00 0.00 C ATOM 1939 CG LEU A 130 2.915 -7.374 6.470 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.396 -8.270 5.344 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.018 -6.430 5.989 1.00 0.00 C ATOM 0 H LEU A 130 0.327 -5.765 9.369 1.00 0.00 H new ATOM 0 HA LEU A 130 0.453 -8.164 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.104 -6.243 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.189 -5.710 7.603 1.00 0.00 H new ATOM 0 HG LEU A 130 3.356 -8.027 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.229 -8.813 4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.674 -8.980 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.914 -7.656 4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.819 -7.010 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.608 -5.735 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.414 -5.872 6.837 1.00 0.00 H new ATOM 1953 N ILE A 131 1.910 -9.324 9.154 1.00 0.00 N ATOM 1954 CA ILE A 131 2.679 -10.076 10.132 1.00 0.00 C ATOM 1955 C ILE A 131 3.955 -10.603 9.474 1.00 0.00 C ATOM 1956 O ILE A 131 3.960 -10.923 8.287 1.00 0.00 O ATOM 1957 CB ILE A 131 1.816 -11.169 10.765 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.473 -10.605 11.234 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.568 -11.874 11.896 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.676 -9.447 12.213 1.00 0.00 C ATOM 0 H ILE A 131 1.500 -9.888 8.409 1.00 0.00 H new ATOM 0 HA ILE A 131 2.988 -9.430 10.954 1.00 0.00 H new ATOM 0 HB ILE A 131 1.602 -11.919 10.004 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.102 -10.262 10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.109 -11.393 11.713 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.933 -12.646 12.329 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.475 -12.330 11.500 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.832 -11.148 12.665 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.294 -9.065 12.531 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.230 -9.799 13.083 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.237 -8.651 11.724 1.00 0.00 H new ATOM 1972 N ASN A 132 5.008 -10.679 10.276 1.00 0.00 N ATOM 1973 CA ASN A 132 6.288 -11.162 9.787 1.00 0.00 C ATOM 1974 C ASN A 132 6.479 -12.616 10.224 1.00 0.00 C ATOM 1975 O ASN A 132 5.555 -13.239 10.743 1.00 0.00 O ATOM 1976 CB ASN A 132 7.443 -10.340 10.362 1.00 0.00 C ATOM 1977 CG ASN A 132 7.483 -10.442 11.888 1.00 0.00 C ATOM 1978 OD1 ASN A 132 8.177 -11.264 12.463 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.702 -9.563 12.509 1.00 0.00 N ATOM 0 H ASN A 132 5.000 -10.414 11.261 1.00 0.00 H new ATOM 0 HA ASN A 132 6.289 -11.074 8.701 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.387 -10.692 9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.334 -9.297 10.067 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.659 -9.550 13.528 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.146 -8.902 11.966 1.00 0.00 H new ATOM 1986 N SER A 133 7.686 -13.114 9.997 1.00 0.00 N ATOM 1987 CA SER A 133 8.011 -14.483 10.361 1.00 0.00 C ATOM 1988 C SER A 133 7.306 -14.859 11.666 1.00 0.00 C ATOM 1989 O SER A 133 6.573 -15.846 11.717 1.00 0.00 O ATOM 1990 CB SER A 133 9.522 -14.672 10.501 1.00 0.00 C ATOM 1991 OG SER A 133 9.974 -14.399 11.824 1.00 0.00 O ATOM 0 H SER A 133 8.450 -12.594 9.566 1.00 0.00 H new ATOM 0 HA SER A 133 7.662 -15.140 9.564 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.786 -15.695 10.232 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.036 -14.015 9.800 1.00 0.00 H new ATOM 0 HG SER A 133 9.914 -15.214 12.365 1.00 0.00 H new ATOM 1997 N THR A 134 7.552 -14.053 12.687 1.00 0.00 N ATOM 1998 CA THR A 134 6.949 -14.289 13.989 1.00 0.00 C ATOM 1999 C THR A 134 5.534 -13.709 14.034 1.00 0.00 C ATOM 2000 O THR A 134 5.190 -12.837 13.238 1.00 0.00 O ATOM 2001 CB THR A 134 7.880 -13.704 15.053 1.00 0.00 C ATOM 2002 OG1 THR A 134 8.021 -12.336 14.678 1.00 0.00 O ATOM 2003 CG2 THR A 134 9.301 -14.264 14.960 1.00 0.00 C ATOM 0 H THR A 134 8.160 -13.236 12.640 1.00 0.00 H new ATOM 0 HA THR A 134 6.836 -15.355 14.186 1.00 0.00 H new ATOM 0 HB THR A 134 7.473 -13.909 16.043 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.635 -12.199 13.788 1.00 0.00 H new ATOM 0 HG21 THR A 134 9.920 -13.816 15.737 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.275 -15.345 15.095 1.00 0.00 H new ATOM 0 HG23 THR A 134 9.721 -14.030 13.982 1.00 0.00 H new ATOM 2011 N GLY A 135 4.751 -14.218 14.974 1.00 0.00 N ATOM 2012 CA GLY A 135 3.381 -13.762 15.134 1.00 0.00 C ATOM 2013 C GLY A 135 3.339 -12.321 15.646 1.00 0.00 C ATOM 2014 O GLY A 135 2.780 -12.052 16.709 1.00 0.00 O ATOM 0 H GLY A 135 5.039 -14.942 15.632 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.858 -13.828 14.180 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.856 -14.415 15.831 1.00 0.00 H new ATOM 2018 N GLU A 136 3.936 -11.432 14.866 1.00 0.00 N ATOM 2019 CA GLU A 136 3.974 -10.025 15.227 1.00 0.00 C ATOM 2020 C GLU A 136 3.709 -9.154 13.998 1.00 0.00 C ATOM 2021 O GLU A 136 4.085 -9.515 12.884 1.00 0.00 O ATOM 2022 CB GLU A 136 5.310 -9.662 15.879 1.00 0.00 C ATOM 2023 CG GLU A 136 5.561 -8.154 15.811 1.00 0.00 C ATOM 2024 CD GLU A 136 6.859 -7.781 16.531 1.00 0.00 C ATOM 2025 OE1 GLU A 136 6.912 -8.008 17.759 1.00 0.00 O ATOM 2026 OE2 GLU A 136 7.768 -7.278 15.836 1.00 0.00 O ATOM 0 H GLU A 136 4.397 -11.659 13.985 1.00 0.00 H new ATOM 0 HA GLU A 136 3.188 -9.836 15.958 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.312 -9.988 16.919 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.120 -10.192 15.377 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.615 -7.837 14.769 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.724 -7.622 16.263 1.00 0.00 H new ATOM 2033 N GLU A 137 3.062 -8.023 14.241 1.00 0.00 N ATOM 2034 CA GLU A 137 2.742 -7.098 13.168 1.00 0.00 C ATOM 2035 C GLU A 137 3.895 -6.115 12.952 1.00 0.00 C ATOM 2036 O GLU A 137 4.552 -5.704 13.908 1.00 0.00 O ATOM 2037 CB GLU A 137 1.436 -6.355 13.455 1.00 0.00 C ATOM 2038 CG GLU A 137 1.129 -5.339 12.354 1.00 0.00 C ATOM 2039 CD GLU A 137 1.210 -3.908 12.890 1.00 0.00 C ATOM 2040 OE1 GLU A 137 0.653 -3.680 13.985 1.00 0.00 O ATOM 2041 OE2 GLU A 137 1.828 -3.075 12.193 1.00 0.00 O ATOM 0 H GLU A 137 2.751 -7.727 15.166 1.00 0.00 H new ATOM 0 HA GLU A 137 2.602 -7.671 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.617 -7.070 13.534 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.507 -5.845 14.416 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.834 -5.464 11.532 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.133 -5.524 11.951 1.00 0.00 H new ATOM 2048 N VAL A 138 4.106 -5.767 11.692 1.00 0.00 N ATOM 2049 CA VAL A 138 5.168 -4.841 11.339 1.00 0.00 C ATOM 2050 C VAL A 138 4.553 -3.531 10.842 1.00 0.00 C ATOM 2051 O VAL A 138 5.097 -2.455 11.084 1.00 0.00 O ATOM 2052 CB VAL A 138 6.107 -5.486 10.317 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.079 -6.451 10.998 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.315 -6.192 9.214 1.00 0.00 C ATOM 0 H VAL A 138 3.559 -6.110 10.902 1.00 0.00 H new ATOM 0 HA VAL A 138 5.774 -4.604 12.214 1.00 0.00 H new ATOM 0 HB VAL A 138 6.693 -4.693 9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.735 -6.896 10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.678 -5.908 11.729 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.518 -7.238 11.502 1.00 0.00 H new ATOM 0 HG21 VAL A 138 6.006 -6.642 8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.691 -6.970 9.655 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.683 -5.468 8.700 1.00 0.00 H new ATOM 2064 N ALA A 139 3.427 -3.666 10.157 1.00 0.00 N ATOM 2065 CA ALA A 139 2.732 -2.506 9.624 1.00 0.00 C ATOM 2066 C ALA A 139 1.224 -2.768 9.642 1.00 0.00 C ATOM 2067 O ALA A 139 0.791 -3.919 9.688 1.00 0.00 O ATOM 2068 CB ALA A 139 3.253 -2.199 8.219 1.00 0.00 C ATOM 0 H ALA A 139 2.979 -4.560 9.959 1.00 0.00 H new ATOM 0 HA ALA A 139 2.922 -1.628 10.241 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.732 -1.329 7.820 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.322 -1.992 8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.077 -3.057 7.570 1.00 0.00 H new ATOM 2074 N MET A 140 0.467 -1.682 9.605 1.00 0.00 N ATOM 2075 CA MET A 140 -0.983 -1.780 9.616 1.00 0.00 C ATOM 2076 C MET A 140 -1.611 -0.726 8.702 1.00 0.00 C ATOM 2077 O MET A 140 -1.020 0.326 8.464 1.00 0.00 O ATOM 2078 CB MET A 140 -1.497 -1.588 11.045 1.00 0.00 C ATOM 2079 CG MET A 140 -1.278 -0.149 11.517 1.00 0.00 C ATOM 2080 SD MET A 140 -2.730 0.832 11.177 1.00 0.00 S ATOM 2081 CE MET A 140 -3.915 0.006 12.226 1.00 0.00 C ATOM 0 H MET A 140 0.830 -0.730 9.567 1.00 0.00 H new ATOM 0 HA MET A 140 -1.264 -2.767 9.248 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.558 -1.832 11.089 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.983 -2.277 11.716 1.00 0.00 H new ATOM 0 HG2 MET A 140 -1.063 -0.137 12.585 1.00 0.00 H new ATOM 0 HG3 MET A 140 -0.412 0.280 11.012 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.916 0.375 12.005 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.876 -1.068 12.044 1.00 0.00 H new ATOM 0 HE3 MET A 140 -3.677 0.206 13.271 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.800 -1.046 8.213 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.515 -0.140 7.330 1.00 0.00 C ATOM 2093 C ARG A 141 -5.008 -0.144 7.661 1.00 0.00 C ATOM 2094 O ARG A 141 -5.751 -1.002 7.187 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.323 -0.534 5.864 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.328 0.700 4.959 1.00 0.00 C ATOM 2097 CD ARG A 141 -2.506 0.453 3.693 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.627 1.610 2.778 1.00 0.00 N ATOM 2099 CZ ARG A 141 -1.873 2.715 2.860 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -0.939 2.819 3.815 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -2.052 3.715 1.987 1.00 0.00 N ATOM 0 H ARG A 141 -3.286 -1.920 8.412 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.109 0.860 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.381 -1.070 5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -4.117 -1.216 5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.353 0.953 4.688 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.921 1.554 5.500 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.460 0.293 3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -2.852 -0.453 3.195 1.00 0.00 H new ATOM 0 HE ARG A 141 -3.328 1.563 2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.802 2.057 4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.365 3.660 3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -2.762 3.636 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.478 4.556 2.050 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.405 0.826 8.473 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.796 0.945 8.873 1.00 0.00 C ATOM 2117 C LYS A 142 -7.563 1.731 7.807 1.00 0.00 C ATOM 2118 O LYS A 142 -7.000 2.605 7.150 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.901 1.546 10.275 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.361 1.804 10.654 1.00 0.00 C ATOM 2121 CD LYS A 142 -8.736 3.270 10.428 1.00 0.00 C ATOM 2122 CE LYS A 142 -9.556 3.813 11.599 1.00 0.00 C ATOM 2123 NZ LYS A 142 -8.868 4.965 12.224 1.00 0.00 N ATOM 0 H LYS A 142 -4.787 1.537 8.864 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.259 -0.039 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.448 0.869 10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.340 2.480 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.013 1.163 10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.521 1.541 11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.831 3.866 10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.307 3.365 9.505 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.543 4.117 11.250 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.708 3.027 12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -9.325 5.193 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -7.870 4.725 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -8.925 5.788 11.591 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.837 1.393 7.670 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.687 2.057 6.696 1.00 0.00 C ATOM 2139 C LEU A 143 -11.149 1.925 7.128 1.00 0.00 C ATOM 2140 O LEU A 143 -11.777 0.893 6.897 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.410 1.520 5.290 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.476 2.366 4.422 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -7.352 1.512 3.832 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -9.260 3.110 3.338 1.00 0.00 C ATOM 0 H LEU A 143 -9.301 0.668 8.217 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.461 3.123 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -8.983 0.521 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.361 1.414 4.769 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.009 3.119 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.703 2.138 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.771 1.067 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.781 0.722 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.573 3.704 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.773 2.390 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -9.993 3.767 3.806 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.648 2.985 7.746 1.00 0.00 N ATOM 2157 CA VAL A 144 -13.024 3.001 8.212 1.00 0.00 C ATOM 2158 C VAL A 144 -13.758 4.185 7.580 1.00 0.00 C ATOM 2159 O VAL A 144 -13.270 5.314 7.618 1.00 0.00 O ATOM 2160 CB VAL A 144 -13.058 3.023 9.742 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -14.492 2.894 10.259 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -12.163 1.929 10.326 1.00 0.00 C ATOM 0 H VAL A 144 -11.124 3.839 7.935 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.543 2.094 7.902 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.668 3.986 10.073 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -14.489 2.912 11.349 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -15.090 3.724 9.884 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -14.920 1.953 9.913 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -12.205 1.967 11.415 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -12.509 0.954 9.983 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -11.136 2.085 9.997 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.918 3.888 7.015 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.725 4.914 6.376 1.00 0.00 C ATOM 2174 C ARG A 145 -16.563 5.656 7.418 1.00 0.00 C ATOM 2175 O ARG A 145 -17.229 5.032 8.243 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.653 4.308 5.321 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.541 5.382 4.690 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.782 4.760 4.047 1.00 0.00 C ATOM 2179 NE ARG A 145 -19.793 5.807 3.780 1.00 0.00 N ATOM 2180 CZ ARG A 145 -21.064 5.555 3.437 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -21.487 4.289 3.318 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -21.911 6.569 3.214 1.00 0.00 N ATOM 0 H ARG A 145 -15.319 2.951 6.986 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.046 5.613 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -16.060 3.820 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -17.275 3.539 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -17.843 6.102 5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.974 5.932 3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -18.509 4.261 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -19.200 3.999 4.706 1.00 0.00 H new ATOM 0 HE ARG A 145 -19.505 6.782 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -20.842 3.518 3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -22.454 4.097 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -21.588 7.532 3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -22.878 6.378 2.953 1.00 0.00 H new