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= -4.24! C(o=-5.1!,f=-10!) USER MOD Set 1.2: A 133 SER OG : rot 180:sc= -0.89! USER MOD Set 2.1: A 124 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 125 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 63 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 88 THR OG1 : rot 20:sc= 0.38 USER MOD Single : A 33 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=-0.094) USER MOD Single : A 36 THR OG1 : rot 110:sc=-0.00881 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 56 ASN : amide:sc= -4.92! C(o=-4.9!,f=-15!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 120:sc= -0.159 USER MOD Single : A 59 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 62 GLN : amide:sc= -16.3! C(o=-16!,f=-18!) USER MOD Single : A 64 MET CE :methyl -170:sc= -1.65 (180deg=-2.07) USER MOD Single : A 66 ASN :FLIP amide:sc= -1.56 F(o=-2.7!,f=-1.6) USER MOD Single : A 68 GLN : amide:sc= -2.83! C(o=-2.8!,f=-4.2!) USER MOD Single : A 72 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.4) USER MOD Single : A 73 ASN : amide:sc= -0.522! C(o=-0.52!,f=-7.2!) USER MOD Single : A 79 MET CE :methyl -159:sc= -0.166 (180deg=-1.25) USER MOD Single : A 80 THR OG1 : rot 150:sc= -0.911 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00765) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -1.05 F(o=-2.8!,f=-1) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -2.76 K(o=-2.8,f=-6.5!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -8:sc= -0.656 USER MOD Single : A 115 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00612) USER MOD Single : A 117 GLN : amide:sc= -1 K(o=-1,f=-2.8!) USER MOD Single : A 118 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.1) USER MOD Single : A 119 THR OG1 : rot -133:sc= 0.356 USER MOD Single : A 122 CYS SG : rot 180:sc= 0.0973 USER MOD Single : A 128 THR OG1 : rot 130:sc= -1.2 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 140 MET CE :methyl 156:sc= 0 (180deg=-0.349) USER MOD Single : A 142 LYS NZ :NH3+ -136:sc= -1.4 (180deg=-4.03!) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -6.162 5.066 8.679 1.00 0.00 N ATOM 440 CA HIS A 33 -5.293 5.073 9.843 1.00 0.00 C ATOM 441 C HIS A 33 -4.288 3.924 9.739 1.00 0.00 C ATOM 442 O HIS A 33 -4.459 2.885 10.375 1.00 0.00 O ATOM 443 CB HIS A 33 -6.112 5.029 11.134 1.00 0.00 C ATOM 444 CG HIS A 33 -6.891 6.293 11.410 1.00 0.00 C ATOM 445 ND1 HIS A 33 -6.320 7.552 11.357 1.00 0.00 N ATOM 446 CD2 HIS A 33 -8.202 6.478 11.740 1.00 0.00 C ATOM 447 CE1 HIS A 33 -7.254 8.447 11.646 1.00 0.00 C ATOM 448 NE2 HIS A 33 -8.419 7.779 11.883 1.00 0.00 N ATOM 0 HA HIS A 33 -4.727 6.004 9.873 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.806 4.190 11.083 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.441 4.838 11.972 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.938 5.698 11.864 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.116 9.517 11.687 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.311 8.209 12.130 1.00 0.00 H new ATOM 456 N ALA A 34 -3.261 4.149 8.933 1.00 0.00 N ATOM 457 CA ALA A 34 -2.228 3.146 8.738 1.00 0.00 C ATOM 458 C ALA A 34 -0.996 3.521 9.564 1.00 0.00 C ATOM 459 O ALA A 34 -0.828 4.678 9.944 1.00 0.00 O ATOM 460 CB ALA A 34 -1.914 3.020 7.246 1.00 0.00 C ATOM 0 H ALA A 34 -3.122 5.012 8.407 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.571 2.170 9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.139 2.268 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.814 2.723 6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.564 3.980 6.865 1.00 0.00 H new ATOM 466 N ARG A 35 -0.166 2.519 9.817 1.00 0.00 N ATOM 467 CA ARG A 35 1.045 2.730 10.591 1.00 0.00 C ATOM 468 C ARG A 35 2.056 1.616 10.309 1.00 0.00 C ATOM 469 O ARG A 35 1.857 0.474 10.720 1.00 0.00 O ATOM 470 CB ARG A 35 0.742 2.765 12.090 1.00 0.00 C ATOM 471 CG ARG A 35 0.754 4.202 12.618 1.00 0.00 C ATOM 472 CD ARG A 35 -0.616 4.593 13.173 1.00 0.00 C ATOM 473 NE ARG A 35 -0.517 5.873 13.911 1.00 0.00 N ATOM 474 CZ ARG A 35 -1.563 6.662 14.191 1.00 0.00 C ATOM 475 NH1 ARG A 35 -2.794 6.307 13.796 1.00 0.00 N ATOM 476 NH2 ARG A 35 -1.379 7.805 14.865 1.00 0.00 N ATOM 0 H ARG A 35 -0.309 1.560 9.500 1.00 0.00 H new ATOM 0 HA ARG A 35 1.465 3.691 10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.231 2.312 12.279 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.480 2.170 12.628 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.508 4.300 13.399 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.034 4.885 11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.334 4.688 12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.986 3.810 13.835 1.00 0.00 H new ATOM 0 HE ARG A 35 0.406 6.173 14.226 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.934 5.437 13.283 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.591 6.907 14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.442 8.075 15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.176 8.405 15.078 1.00 0.00 H new ATOM 490 N THR A 36 3.117 1.987 9.608 1.00 0.00 N ATOM 491 CA THR A 36 4.159 1.033 9.266 1.00 0.00 C ATOM 492 C THR A 36 5.214 0.977 10.372 1.00 0.00 C ATOM 493 O THR A 36 5.483 1.980 11.031 1.00 0.00 O ATOM 494 CB THR A 36 4.729 1.425 7.901 1.00 0.00 C ATOM 495 OG1 THR A 36 3.991 0.630 6.976 1.00 0.00 O ATOM 496 CG2 THR A 36 6.176 0.965 7.717 1.00 0.00 C ATOM 0 H THR A 36 3.278 2.935 9.267 1.00 0.00 H new ATOM 0 HA THR A 36 3.760 0.022 9.189 1.00 0.00 H new ATOM 0 HB THR A 36 4.675 2.507 7.782 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.389 1.204 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.532 1.268 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.802 1.419 8.485 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.226 -0.120 7.802 1.00 0.00 H new ATOM 504 N SER A 37 5.785 -0.207 10.541 1.00 0.00 N ATOM 505 CA SER A 37 6.805 -0.407 11.556 1.00 0.00 C ATOM 506 C SER A 37 7.691 -1.597 11.180 1.00 0.00 C ATOM 507 O SER A 37 7.486 -2.707 11.667 1.00 0.00 O ATOM 508 CB SER A 37 6.177 -0.629 12.933 1.00 0.00 C ATOM 509 OG SER A 37 6.846 0.111 13.951 1.00 0.00 O ATOM 0 H SER A 37 5.561 -1.037 9.992 1.00 0.00 H new ATOM 0 HA SER A 37 7.417 0.493 11.607 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.127 -0.338 12.904 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.206 -1.691 13.178 1.00 0.00 H new ATOM 0 HG SER A 37 6.414 -0.056 14.815 1.00 0.00 H new ATOM 515 N GLY A 38 8.658 -1.324 10.315 1.00 0.00 N ATOM 516 CA GLY A 38 9.576 -2.357 9.868 1.00 0.00 C ATOM 517 C GLY A 38 10.268 -1.950 8.566 1.00 0.00 C ATOM 518 O GLY A 38 10.557 -0.773 8.354 1.00 0.00 O ATOM 0 H GLY A 38 8.825 -0.402 9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.324 -2.542 10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.034 -3.291 9.719 1.00 0.00 H new ATOM 522 N ARG A 39 10.512 -2.946 7.726 1.00 0.00 N ATOM 523 CA ARG A 39 11.165 -2.706 6.450 1.00 0.00 C ATOM 524 C ARG A 39 10.123 -2.595 5.335 1.00 0.00 C ATOM 525 O ARG A 39 10.243 -1.748 4.451 1.00 0.00 O ATOM 526 CB ARG A 39 12.146 -3.830 6.113 1.00 0.00 C ATOM 527 CG ARG A 39 13.314 -3.853 7.101 1.00 0.00 C ATOM 528 CD ARG A 39 14.408 -4.816 6.635 1.00 0.00 C ATOM 529 NE ARG A 39 14.484 -5.977 7.550 1.00 0.00 N ATOM 530 CZ ARG A 39 15.200 -5.994 8.683 1.00 0.00 C ATOM 531 NH1 ARG A 39 15.905 -4.914 9.046 1.00 0.00 N ATOM 532 NH2 ARG A 39 15.211 -7.092 9.452 1.00 0.00 N ATOM 0 H ARG A 39 10.269 -3.921 7.904 1.00 0.00 H new ATOM 0 HA ARG A 39 11.718 -1.770 6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.628 -4.789 6.135 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.525 -3.695 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.728 -2.850 7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.956 -4.153 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.198 -5.155 5.621 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.369 -4.302 6.606 1.00 0.00 H new ATOM 0 HE ARG A 39 13.959 -6.816 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 39 15.897 -4.079 8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.450 -4.927 9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.675 -7.914 9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.756 -7.105 10.314 1.00 0.00 H new ATOM 546 N VAL A 40 9.126 -3.463 5.412 1.00 0.00 N ATOM 547 CA VAL A 40 8.064 -3.474 4.419 1.00 0.00 C ATOM 548 C VAL A 40 6.882 -2.652 4.935 1.00 0.00 C ATOM 549 O VAL A 40 6.594 -2.654 6.131 1.00 0.00 O ATOM 550 CB VAL A 40 7.685 -4.915 4.074 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.329 -4.971 3.367 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.772 -5.581 3.228 1.00 0.00 C ATOM 0 H VAL A 40 9.030 -4.164 6.147 1.00 0.00 H new ATOM 0 HA VAL A 40 8.402 -3.011 3.492 1.00 0.00 H new ATOM 0 HB VAL A 40 7.600 -5.471 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.083 -6.007 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.561 -4.554 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.375 -4.392 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.477 -6.605 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.904 -5.023 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.710 -5.590 3.783 1.00 0.00 H new ATOM 562 N ALA A 41 6.228 -1.968 4.007 1.00 0.00 N ATOM 563 CA ALA A 41 5.083 -1.143 4.353 1.00 0.00 C ATOM 564 C ALA A 41 3.916 -1.483 3.425 1.00 0.00 C ATOM 565 O ALA A 41 4.123 -1.957 2.309 1.00 0.00 O ATOM 566 CB ALA A 41 5.476 0.334 4.278 1.00 0.00 C ATOM 0 H ALA A 41 6.469 -1.968 3.016 1.00 0.00 H new ATOM 0 HA ALA A 41 4.761 -1.343 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.617 0.953 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.289 0.530 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.802 0.573 3.266 1.00 0.00 H new ATOM 572 N VAL A 42 2.714 -1.229 3.920 1.00 0.00 N ATOM 573 CA VAL A 42 1.513 -1.503 3.150 1.00 0.00 C ATOM 574 C VAL A 42 1.279 -0.363 2.156 1.00 0.00 C ATOM 575 O VAL A 42 0.553 0.585 2.453 1.00 0.00 O ATOM 576 CB VAL A 42 0.327 -1.729 4.090 1.00 0.00 C ATOM 577 CG1 VAL A 42 -0.950 -2.024 3.301 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.626 -2.849 5.089 1.00 0.00 C ATOM 0 H VAL A 42 2.546 -0.836 4.846 1.00 0.00 H new ATOM 0 HA VAL A 42 1.631 -2.420 2.573 1.00 0.00 H new ATOM 0 HB VAL A 42 0.167 -0.810 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.777 -2.181 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.177 -1.181 2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.806 -2.921 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.233 -2.990 5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.825 -3.775 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.499 -2.582 5.685 1.00 0.00 H new ATOM 588 N GLU A 43 1.907 -0.493 0.997 1.00 0.00 N ATOM 589 CA GLU A 43 1.777 0.515 -0.042 1.00 0.00 C ATOM 590 C GLU A 43 0.334 1.020 -0.113 1.00 0.00 C ATOM 591 O GLU A 43 0.060 2.173 0.214 1.00 0.00 O ATOM 592 CB GLU A 43 2.234 -0.032 -1.396 1.00 0.00 C ATOM 593 CG GLU A 43 2.621 1.105 -2.344 1.00 0.00 C ATOM 594 CD GLU A 43 1.736 1.103 -3.592 1.00 0.00 C ATOM 595 OE1 GLU A 43 2.132 0.428 -4.567 1.00 0.00 O ATOM 596 OE2 GLU A 43 0.684 1.777 -3.544 1.00 0.00 O ATOM 0 H GLU A 43 2.507 -1.281 0.754 1.00 0.00 H new ATOM 0 HA GLU A 43 2.424 1.355 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.085 -0.698 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.435 -0.625 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.527 2.061 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.666 1.001 -2.635 1.00 0.00 H new ATOM 603 N GLU A 44 -0.550 0.131 -0.543 1.00 0.00 N ATOM 604 CA GLU A 44 -1.957 0.473 -0.661 1.00 0.00 C ATOM 605 C GLU A 44 -2.813 -0.795 -0.652 1.00 0.00 C ATOM 606 O GLU A 44 -2.517 -1.754 -1.364 1.00 0.00 O ATOM 607 CB GLU A 44 -2.217 1.301 -1.921 1.00 0.00 C ATOM 608 CG GLU A 44 -3.707 1.610 -2.077 1.00 0.00 C ATOM 609 CD GLU A 44 -4.022 3.036 -1.620 1.00 0.00 C ATOM 610 OE1 GLU A 44 -3.957 3.266 -0.393 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.321 3.863 -2.508 1.00 0.00 O ATOM 0 H GLU A 44 -0.319 -0.825 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.236 1.083 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.652 2.232 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.861 0.758 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.001 1.485 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.292 0.900 -1.493 1.00 0.00 H new ATOM 618 N VAL A 45 -3.859 -0.759 0.161 1.00 0.00 N ATOM 619 CA VAL A 45 -4.760 -1.894 0.271 1.00 0.00 C ATOM 620 C VAL A 45 -6.172 -1.458 -0.124 1.00 0.00 C ATOM 621 O VAL A 45 -6.836 -0.740 0.622 1.00 0.00 O ATOM 622 CB VAL A 45 -4.689 -2.483 1.682 1.00 0.00 C ATOM 623 CG1 VAL A 45 -5.934 -3.318 1.990 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.415 -3.308 1.868 1.00 0.00 C ATOM 0 H VAL A 45 -4.103 0.038 0.749 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.461 -2.688 -0.414 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.657 -1.655 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.859 -3.725 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.821 -2.689 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.010 -4.136 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.389 -3.715 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.402 -4.126 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.544 -2.672 1.711 1.00 0.00 H new ATOM 634 N ASP A 46 -6.590 -1.910 -1.298 1.00 0.00 N ATOM 635 CA ASP A 46 -7.911 -1.576 -1.801 1.00 0.00 C ATOM 636 C ASP A 46 -8.940 -1.764 -0.685 1.00 0.00 C ATOM 637 O ASP A 46 -9.263 -2.893 -0.317 1.00 0.00 O ATOM 638 CB ASP A 46 -8.304 -2.488 -2.965 1.00 0.00 C ATOM 639 CG ASP A 46 -8.360 -1.804 -4.332 1.00 0.00 C ATOM 640 OD1 ASP A 46 -7.794 -0.694 -4.435 1.00 0.00 O ATOM 641 OD2 ASP A 46 -8.969 -2.405 -5.244 1.00 0.00 O ATOM 0 H ASP A 46 -6.037 -2.505 -1.915 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.889 -0.542 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.593 -3.312 -3.017 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.281 -2.922 -2.753 1.00 0.00 H new ATOM 646 N GLU A 47 -9.428 -0.642 -0.177 1.00 0.00 N ATOM 647 CA GLU A 47 -10.414 -0.669 0.889 1.00 0.00 C ATOM 648 C GLU A 47 -11.636 -1.485 0.462 1.00 0.00 C ATOM 649 O GLU A 47 -12.235 -2.185 1.277 1.00 0.00 O ATOM 650 CB GLU A 47 -10.817 0.749 1.299 1.00 0.00 C ATOM 651 CG GLU A 47 -11.258 1.567 0.084 1.00 0.00 C ATOM 652 CD GLU A 47 -11.995 2.837 0.515 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.438 3.551 1.377 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.098 3.064 -0.027 1.00 0.00 O ATOM 0 H GLU A 47 -9.158 0.292 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.967 -1.150 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.628 0.704 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.977 1.242 1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.387 1.833 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.908 0.963 -0.549 1.00 0.00 H new ATOM 661 N GLU A 48 -11.969 -1.367 -0.815 1.00 0.00 N ATOM 662 CA GLU A 48 -13.108 -2.085 -1.360 1.00 0.00 C ATOM 663 C GLU A 48 -12.940 -3.590 -1.144 1.00 0.00 C ATOM 664 O GLU A 48 -13.909 -4.344 -1.224 1.00 0.00 O ATOM 665 CB GLU A 48 -13.301 -1.762 -2.844 1.00 0.00 C ATOM 666 CG GLU A 48 -12.029 -2.062 -3.640 1.00 0.00 C ATOM 667 CD GLU A 48 -12.286 -1.954 -5.144 1.00 0.00 C ATOM 668 OE1 GLU A 48 -13.300 -2.533 -5.590 1.00 0.00 O ATOM 669 OE2 GLU A 48 -11.462 -1.295 -5.814 1.00 0.00 O ATOM 0 H GLU A 48 -11.470 -0.785 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.004 -1.760 -0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.130 -2.347 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.567 -0.711 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.242 -1.366 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.673 -3.064 -3.399 1.00 0.00 H new ATOM 676 N GLY A 49 -11.704 -3.983 -0.874 1.00 0.00 N ATOM 677 CA GLY A 49 -11.397 -5.384 -0.646 1.00 0.00 C ATOM 678 C GLY A 49 -11.299 -6.147 -1.969 1.00 0.00 C ATOM 679 O GLY A 49 -12.103 -7.038 -2.237 1.00 0.00 O ATOM 0 H GLY A 49 -10.903 -3.355 -0.808 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.456 -5.470 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.169 -5.832 -0.020 1.00 0.00 H new ATOM 683 N LYS A 50 -10.306 -5.769 -2.761 1.00 0.00 N ATOM 684 CA LYS A 50 -10.093 -6.406 -4.049 1.00 0.00 C ATOM 685 C LYS A 50 -8.682 -6.996 -4.094 1.00 0.00 C ATOM 686 O LYS A 50 -8.499 -8.147 -4.488 1.00 0.00 O ATOM 687 CB LYS A 50 -10.386 -5.425 -5.187 1.00 0.00 C ATOM 688 CG LYS A 50 -11.861 -5.477 -5.589 1.00 0.00 C ATOM 689 CD LYS A 50 -12.011 -5.750 -7.087 1.00 0.00 C ATOM 690 CE LYS A 50 -12.268 -4.454 -7.858 1.00 0.00 C ATOM 691 NZ LYS A 50 -12.541 -4.743 -9.283 1.00 0.00 N ATOM 0 H LYS A 50 -9.640 -5.030 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.790 -7.233 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.126 -4.413 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.762 -5.664 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.369 -6.256 -5.021 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.344 -4.533 -5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.108 -6.229 -7.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.834 -6.445 -7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.114 -3.925 -7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.403 -3.796 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.713 -3.852 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.722 -5.228 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.380 -5.353 -9.359 1.00 0.00 H new ATOM 705 N PHE A 51 -7.721 -6.182 -3.683 1.00 0.00 N ATOM 706 CA PHE A 51 -6.332 -6.609 -3.672 1.00 0.00 C ATOM 707 C PHE A 51 -5.529 -5.834 -2.625 1.00 0.00 C ATOM 708 O PHE A 51 -5.910 -4.730 -2.237 1.00 0.00 O ATOM 709 CB PHE A 51 -5.761 -6.311 -5.059 1.00 0.00 C ATOM 710 CG PHE A 51 -5.594 -4.819 -5.356 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.502 -4.152 -4.895 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.537 -4.160 -6.082 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.347 -2.768 -5.171 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.382 -2.776 -6.357 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.290 -2.109 -5.896 1.00 0.00 C ATOM 0 H PHE A 51 -7.877 -5.229 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.271 -7.669 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.792 -6.801 -5.155 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.416 -6.750 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.753 -4.675 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.404 -4.690 -6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.480 -2.238 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.131 -2.253 -6.932 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.172 -1.056 -6.106 1.00 0.00 H new ATOM 725 N VAL A 52 -4.432 -6.442 -2.198 1.00 0.00 N ATOM 726 CA VAL A 52 -3.572 -5.822 -1.204 1.00 0.00 C ATOM 727 C VAL A 52 -2.189 -5.581 -1.813 1.00 0.00 C ATOM 728 O VAL A 52 -1.508 -6.525 -2.210 1.00 0.00 O ATOM 729 CB VAL A 52 -3.527 -6.684 0.059 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.343 -6.295 0.947 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.845 -6.595 0.831 1.00 0.00 C ATOM 0 H VAL A 52 -4.119 -7.357 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.970 -4.852 -0.905 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.388 -7.721 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.335 -6.923 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.413 -6.435 0.396 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.437 -5.250 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.786 -7.217 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.028 -5.560 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.661 -6.944 0.199 1.00 0.00 H new ATOM 741 N ARG A 53 -1.815 -4.311 -1.866 1.00 0.00 N ATOM 742 CA ARG A 53 -0.525 -3.933 -2.419 1.00 0.00 C ATOM 743 C ARG A 53 0.449 -3.574 -1.295 1.00 0.00 C ATOM 744 O ARG A 53 0.148 -2.730 -0.453 1.00 0.00 O ATOM 745 CB ARG A 53 -0.661 -2.740 -3.367 1.00 0.00 C ATOM 746 CG ARG A 53 -0.358 -3.149 -4.810 1.00 0.00 C ATOM 747 CD ARG A 53 0.501 -2.094 -5.510 1.00 0.00 C ATOM 748 NE ARG A 53 0.381 -2.237 -6.978 1.00 0.00 N ATOM 749 CZ ARG A 53 0.980 -1.428 -7.863 1.00 0.00 C ATOM 750 NH1 ARG A 53 1.744 -0.415 -7.434 1.00 0.00 N ATOM 751 NH2 ARG A 53 0.815 -1.634 -9.177 1.00 0.00 N ATOM 0 H ARG A 53 -2.382 -3.531 -1.535 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.141 -4.786 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.671 -2.335 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.020 -1.947 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.159 -4.108 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.291 -3.285 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.185 -1.096 -5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.543 -2.204 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.193 -2.999 -7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.870 -0.259 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.200 0.201 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.234 -2.406 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.271 -1.019 -9.851 1.00 0.00 H new ATOM 765 N LEU A 54 1.598 -4.234 -1.319 1.00 0.00 N ATOM 766 CA LEU A 54 2.619 -3.995 -0.313 1.00 0.00 C ATOM 767 C LEU A 54 3.938 -3.641 -1.005 1.00 0.00 C ATOM 768 O LEU A 54 4.289 -4.239 -2.021 1.00 0.00 O ATOM 769 CB LEU A 54 2.724 -5.189 0.637 1.00 0.00 C ATOM 770 CG LEU A 54 1.411 -5.899 0.970 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.670 -7.220 1.696 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.478 -4.982 1.764 1.00 0.00 C ATOM 0 H LEU A 54 1.844 -4.934 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 54 2.348 -3.143 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.407 -5.917 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.176 -4.848 1.568 1.00 0.00 H new ATOM 0 HG LEU A 54 0.907 -6.140 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.720 -7.704 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.268 -7.873 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.207 -7.026 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.448 -5.511 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.962 -4.688 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.254 -4.092 1.175 1.00 0.00 H new ATOM 784 N ARG A 55 4.631 -2.672 -0.426 1.00 0.00 N ATOM 785 CA ARG A 55 5.903 -2.232 -0.974 1.00 0.00 C ATOM 786 C ARG A 55 6.989 -2.279 0.103 1.00 0.00 C ATOM 787 O ARG A 55 6.694 -2.178 1.292 1.00 0.00 O ATOM 788 CB ARG A 55 5.802 -0.808 -1.525 1.00 0.00 C ATOM 789 CG ARG A 55 7.159 -0.321 -2.037 1.00 0.00 C ATOM 790 CD ARG A 55 6.988 0.811 -3.052 1.00 0.00 C ATOM 791 NE ARG A 55 7.507 2.078 -2.490 1.00 0.00 N ATOM 792 CZ ARG A 55 8.798 2.436 -2.512 1.00 0.00 C ATOM 793 NH1 ARG A 55 9.709 1.626 -3.069 1.00 0.00 N ATOM 794 NH2 ARG A 55 9.178 3.605 -1.978 1.00 0.00 N ATOM 0 H ARG A 55 4.336 -2.179 0.417 1.00 0.00 H new ATOM 0 HA ARG A 55 6.165 -2.907 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.072 -0.778 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.441 -0.137 -0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.765 0.025 -1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.696 -1.150 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.518 0.568 -3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.935 0.923 -3.310 1.00 0.00 H new ATOM 0 HE ARG A 55 6.840 2.719 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.420 0.737 -3.476 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.692 1.899 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.485 4.222 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.161 3.878 -1.995 1.00 0.00 H new ATOM 808 N ASN A 56 8.224 -2.433 -0.354 1.00 0.00 N ATOM 809 CA ASN A 56 9.355 -2.494 0.555 1.00 0.00 C ATOM 810 C ASN A 56 10.044 -1.129 0.599 1.00 0.00 C ATOM 811 O ASN A 56 10.823 -0.794 -0.291 1.00 0.00 O ATOM 812 CB ASN A 56 10.383 -3.527 0.087 1.00 0.00 C ATOM 813 CG ASN A 56 11.506 -3.688 1.113 1.00 0.00 C ATOM 814 OD1 ASN A 56 11.996 -2.732 1.691 1.00 0.00 O ATOM 815 ND2 ASN A 56 11.884 -4.948 1.307 1.00 0.00 N ATOM 0 H ASN A 56 8.465 -2.517 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 56 8.981 -2.777 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.892 -4.487 -0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.802 -3.220 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.626 -5.161 1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.432 -5.702 0.790 1.00 0.00 H new ATOM 822 N LYS A 57 9.730 -0.377 1.645 1.00 0.00 N ATOM 823 CA LYS A 57 10.309 0.944 1.816 1.00 0.00 C ATOM 824 C LYS A 57 11.804 0.808 2.114 1.00 0.00 C ATOM 825 O LYS A 57 12.605 1.632 1.676 1.00 0.00 O ATOM 826 CB LYS A 57 9.540 1.732 2.879 1.00 0.00 C ATOM 827 CG LYS A 57 8.426 2.566 2.245 1.00 0.00 C ATOM 828 CD LYS A 57 7.324 1.669 1.677 1.00 0.00 C ATOM 829 CE LYS A 57 6.778 2.234 0.365 1.00 0.00 C ATOM 830 NZ LYS A 57 5.507 2.954 0.600 1.00 0.00 N ATOM 0 H LYS A 57 9.083 -0.658 2.381 1.00 0.00 H new ATOM 0 HA LYS A 57 10.219 1.521 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.113 1.044 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.225 2.385 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.003 3.240 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.839 3.187 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.717 0.666 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.515 1.577 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.509 2.910 -0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.618 1.425 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.150 3.331 -0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.807 2.299 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.670 3.738 1.263 1.00 0.00 H new ATOM 844 N SER A 58 12.133 -0.240 2.855 1.00 0.00 N ATOM 845 CA SER A 58 13.517 -0.495 3.216 1.00 0.00 C ATOM 846 C SER A 58 14.372 -0.623 1.954 1.00 0.00 C ATOM 847 O SER A 58 13.845 -0.651 0.843 1.00 0.00 O ATOM 848 CB SER A 58 13.640 -1.759 4.070 1.00 0.00 C ATOM 849 OG SER A 58 14.946 -1.906 4.621 1.00 0.00 O ATOM 0 H SER A 58 11.465 -0.922 3.215 1.00 0.00 H new ATOM 0 HA SER A 58 13.876 0.347 3.807 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.908 -1.724 4.877 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.403 -2.632 3.462 1.00 0.00 H new ATOM 0 HG SER A 58 14.889 -1.916 5.599 1.00 0.00 H new ATOM 855 N ASN A 59 15.678 -0.697 2.167 1.00 0.00 N ATOM 856 CA ASN A 59 16.611 -0.821 1.060 1.00 0.00 C ATOM 857 C ASN A 59 17.190 -2.237 1.043 1.00 0.00 C ATOM 858 O ASN A 59 17.996 -2.572 0.176 1.00 0.00 O ATOM 859 CB ASN A 59 17.773 0.163 1.205 1.00 0.00 C ATOM 860 CG ASN A 59 18.866 -0.409 2.111 1.00 0.00 C ATOM 861 OD1 ASN A 59 19.894 -0.887 1.660 1.00 0.00 O ATOM 862 ND2 ASN A 59 18.587 -0.333 3.409 1.00 0.00 N ATOM 0 H ASN A 59 16.112 -0.673 3.090 1.00 0.00 H new ATOM 0 HA ASN A 59 16.070 -0.606 0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.190 0.386 0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.408 1.104 1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 59 19.253 -0.687 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 59 17.707 0.080 3.718 1.00 0.00 H new ATOM 869 N GLU A 60 16.757 -3.031 2.011 1.00 0.00 N ATOM 870 CA GLU A 60 17.223 -4.403 2.119 1.00 0.00 C ATOM 871 C GLU A 60 16.104 -5.375 1.736 1.00 0.00 C ATOM 872 O GLU A 60 14.925 -5.048 1.859 1.00 0.00 O ATOM 873 CB GLU A 60 17.746 -4.696 3.526 1.00 0.00 C ATOM 874 CG GLU A 60 16.595 -4.787 4.531 1.00 0.00 C ATOM 875 CD GLU A 60 16.875 -5.856 5.590 1.00 0.00 C ATOM 876 OE1 GLU A 60 17.627 -5.535 6.535 1.00 0.00 O ATOM 877 OE2 GLU A 60 16.330 -6.969 5.429 1.00 0.00 O ATOM 0 H GLU A 60 16.088 -2.750 2.728 1.00 0.00 H new ATOM 0 HA GLU A 60 18.051 -4.540 1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.305 -5.632 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.439 -3.912 3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.452 -3.820 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.668 -5.022 4.008 1.00 0.00 H new ATOM 884 N ASP A 61 16.514 -6.549 1.281 1.00 0.00 N ATOM 885 CA ASP A 61 15.561 -7.571 0.880 1.00 0.00 C ATOM 886 C ASP A 61 14.763 -8.026 2.103 1.00 0.00 C ATOM 887 O ASP A 61 15.329 -8.233 3.176 1.00 0.00 O ATOM 888 CB ASP A 61 16.276 -8.793 0.300 1.00 0.00 C ATOM 889 CG ASP A 61 17.306 -9.440 1.227 1.00 0.00 C ATOM 890 OD1 ASP A 61 17.896 -8.689 2.033 1.00 0.00 O ATOM 891 OD2 ASP A 61 17.481 -10.672 1.109 1.00 0.00 O ATOM 0 H ASP A 61 17.493 -6.816 1.181 1.00 0.00 H new ATOM 0 HA ASP A 61 14.906 -7.143 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.528 -9.540 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.775 -8.499 -0.624 1.00 0.00 H new ATOM 896 N GLN A 62 13.462 -8.169 1.901 1.00 0.00 N ATOM 897 CA GLN A 62 12.580 -8.596 2.975 1.00 0.00 C ATOM 898 C GLN A 62 12.025 -9.991 2.682 1.00 0.00 C ATOM 899 O GLN A 62 11.116 -10.144 1.868 1.00 0.00 O ATOM 900 CB GLN A 62 11.448 -7.589 3.188 1.00 0.00 C ATOM 901 CG GLN A 62 10.856 -7.720 4.592 1.00 0.00 C ATOM 902 CD GLN A 62 10.546 -9.181 4.923 1.00 0.00 C ATOM 903 OE1 GLN A 62 9.447 -9.670 4.724 1.00 0.00 O ATOM 904 NE2 GLN A 62 11.575 -9.848 5.439 1.00 0.00 N ATOM 0 H GLN A 62 12.997 -7.997 1.010 1.00 0.00 H new ATOM 0 HA GLN A 62 13.159 -8.643 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.824 -6.577 3.041 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.668 -7.750 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.556 -7.318 5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.945 -7.126 4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.469 -9.377 5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.470 -10.830 5.694 1.00 0.00 H new ATOM 913 N SER A 63 12.596 -10.975 3.362 1.00 0.00 N ATOM 914 CA SER A 63 12.170 -12.353 3.186 1.00 0.00 C ATOM 915 C SER A 63 10.803 -12.566 3.841 1.00 0.00 C ATOM 916 O SER A 63 10.650 -12.365 5.045 1.00 0.00 O ATOM 917 CB SER A 63 13.196 -13.326 3.770 1.00 0.00 C ATOM 918 OG SER A 63 14.469 -13.199 3.143 1.00 0.00 O ATOM 0 H SER A 63 13.350 -10.845 4.036 1.00 0.00 H new ATOM 0 HA SER A 63 12.089 -12.552 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.299 -13.145 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.834 -14.348 3.653 1.00 0.00 H new ATOM 0 HG SER A 63 15.097 -13.836 3.545 1.00 0.00 H new ATOM 924 N MET A 64 9.845 -12.969 3.019 1.00 0.00 N ATOM 925 CA MET A 64 8.497 -13.212 3.503 1.00 0.00 C ATOM 926 C MET A 64 8.137 -14.695 3.403 1.00 0.00 C ATOM 927 O MET A 64 7.061 -15.046 2.920 1.00 0.00 O ATOM 928 CB MET A 64 7.503 -12.388 2.681 1.00 0.00 C ATOM 929 CG MET A 64 8.091 -11.023 2.318 1.00 0.00 C ATOM 930 SD MET A 64 6.864 -9.748 2.554 1.00 0.00 S ATOM 931 CE MET A 64 5.501 -10.457 1.645 1.00 0.00 C ATOM 0 H MET A 64 9.976 -13.133 2.021 1.00 0.00 H new ATOM 0 HA MET A 64 8.449 -12.916 4.551 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.241 -12.929 1.772 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.582 -12.252 3.247 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.964 -10.818 2.937 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.429 -11.027 1.282 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.710 -9.715 1.538 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.844 -10.767 0.658 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.116 -11.323 2.183 1.00 0.00 H new ATOM 941 N GLY A 65 9.058 -15.528 3.868 1.00 0.00 N ATOM 942 CA GLY A 65 8.851 -16.965 3.837 1.00 0.00 C ATOM 943 C GLY A 65 8.134 -17.444 5.101 1.00 0.00 C ATOM 944 O GLY A 65 8.639 -18.307 5.816 1.00 0.00 O ATOM 0 H GLY A 65 9.949 -15.234 4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.264 -17.232 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.811 -17.472 3.745 1.00 0.00 H new ATOM 948 N ASN A 66 6.967 -16.862 5.337 1.00 0.00 N ATOM 949 CA ASN A 66 6.176 -17.218 6.502 1.00 0.00 C ATOM 950 C ASN A 66 5.254 -16.051 6.863 1.00 0.00 C ATOM 951 O ASN A 66 4.214 -16.248 7.489 1.00 0.00 O ATOM 952 CB ASN A 66 7.071 -17.504 7.710 1.00 0.00 C ATOM 953 CG ASN A 66 7.081 -18.997 8.043 1.00 0.00 C ATOM 954 OD1 ASN A 66 7.068 -19.790 6.976 1.00 0.00 O flip ATOM 955 ND2 ASN A 66 7.098 -19.402 9.194 1.00 0.00 N flip ATOM 0 H ASN A 66 6.551 -16.147 4.741 1.00 0.00 H new ATOM 0 HA ASN A 66 5.602 -18.112 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.087 -17.167 7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.717 -16.938 8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.107 -18.738 9.968 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.103 -20.405 9.382 1.00 0.00 H new ATOM 962 N TRP A 67 5.670 -14.862 6.453 1.00 0.00 N ATOM 963 CA TRP A 67 4.894 -13.663 6.725 1.00 0.00 C ATOM 964 C TRP A 67 3.419 -13.989 6.481 1.00 0.00 C ATOM 965 O TRP A 67 3.099 -14.971 5.814 1.00 0.00 O ATOM 966 CB TRP A 67 5.394 -12.485 5.887 1.00 0.00 C ATOM 967 CG TRP A 67 6.685 -11.852 6.409 1.00 0.00 C ATOM 968 CD1 TRP A 67 7.742 -12.467 6.956 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.014 -10.447 6.412 1.00 0.00 C ATOM 970 NE1 TRP A 67 8.725 -11.565 7.310 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.268 -10.297 6.968 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.276 -9.339 5.959 1.00 0.00 C ATOM 973 CZ2 TRP A 67 8.895 -9.055 7.123 1.00 0.00 C ATOM 974 CZ3 TRP A 67 6.916 -8.104 6.122 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.178 -7.937 6.680 1.00 0.00 C ATOM 0 H TRP A 67 6.534 -14.703 5.935 1.00 0.00 H new ATOM 0 HA TRP A 67 5.014 -13.352 7.763 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.556 -12.823 4.864 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.616 -11.722 5.851 1.00 0.00 H new ATOM 0 HD1 TRP A 67 7.816 -13.535 7.102 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.621 -11.788 7.743 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.294 -9.433 5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 9.878 -8.964 7.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.392 -7.219 5.791 1.00 0.00 H new ATOM 0 HH2 TRP A 67 8.604 -6.949 6.771 1.00 0.00 H new ATOM 986 N GLN A 68 2.561 -13.145 7.034 1.00 0.00 N ATOM 987 CA GLN A 68 1.127 -13.330 6.884 1.00 0.00 C ATOM 988 C GLN A 68 0.402 -11.990 7.015 1.00 0.00 C ATOM 989 O GLN A 68 0.687 -11.212 7.925 1.00 0.00 O ATOM 990 CB GLN A 68 0.596 -14.343 7.901 1.00 0.00 C ATOM 991 CG GLN A 68 1.703 -15.297 8.354 1.00 0.00 C ATOM 992 CD GLN A 68 1.207 -16.225 9.465 1.00 0.00 C ATOM 993 OE1 GLN A 68 0.036 -16.557 9.554 1.00 0.00 O ATOM 994 NE2 GLN A 68 2.159 -16.623 10.303 1.00 0.00 N ATOM 0 H GLN A 68 2.831 -12.331 7.587 1.00 0.00 H new ATOM 0 HA GLN A 68 0.934 -13.729 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.188 -13.817 8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.222 -14.913 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.046 -15.890 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.559 -14.724 8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.120 -16.307 10.171 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.929 -17.244 11.078 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.521 -11.760 6.093 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.290 -10.526 6.095 1.00 0.00 C ATOM 1005 C ILE A 69 -2.575 -10.732 6.899 1.00 0.00 C ATOM 1006 O ILE A 69 -3.355 -11.638 6.608 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.530 -10.043 4.663 1.00 0.00 C ATOM 1008 CG1 ILE A 69 -0.231 -10.055 3.855 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -2.199 -8.667 4.654 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.519 -10.141 2.355 1.00 0.00 C ATOM 0 H ILE A 69 -0.754 -12.407 5.339 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.732 -9.729 6.586 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.216 -10.738 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.342 -9.153 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.383 -10.902 4.160 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.358 -8.347 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.158 -8.725 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.558 -7.947 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.421 -10.148 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.071 -11.057 2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.113 -9.280 2.049 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.756 -9.877 7.894 1.00 0.00 N ATOM 1023 CA ARG A 70 -3.933 -9.954 8.742 1.00 0.00 C ATOM 1024 C ARG A 70 -4.994 -8.958 8.269 1.00 0.00 C ATOM 1025 O ARG A 70 -4.763 -7.750 8.274 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.582 -9.658 10.201 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.351 -10.953 10.983 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.224 -10.674 12.482 1.00 0.00 C ATOM 1029 NE ARG A 70 -2.167 -11.527 13.068 1.00 0.00 N ATOM 1030 CZ ARG A 70 -2.325 -12.825 13.361 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.498 -13.427 13.123 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -1.309 -13.520 13.891 1.00 0.00 N ATOM 0 H ARG A 70 -2.107 -9.127 8.132 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.325 -10.969 8.673 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.687 -9.038 10.245 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.387 -9.088 10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.178 -11.641 10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.446 -11.443 10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.987 -9.623 12.646 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.175 -10.867 12.978 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.261 -11.100 13.261 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.270 -12.897 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.619 -14.415 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.416 -13.061 14.071 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.429 -14.508 14.114 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.135 -9.502 7.871 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.232 -8.676 7.395 1.00 0.00 C ATOM 1048 C ARG A 71 -8.430 -8.789 8.341 1.00 0.00 C ATOM 1049 O ARG A 71 -9.062 -9.841 8.425 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.663 -9.090 5.987 1.00 0.00 C ATOM 1051 CG ARG A 71 -8.823 -8.225 5.491 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.617 -6.758 5.877 1.00 0.00 C ATOM 1053 NE ARG A 71 -9.634 -5.913 5.214 1.00 0.00 N ATOM 1054 CZ ARG A 71 -9.537 -5.468 3.954 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -8.467 -5.786 3.213 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -10.509 -4.706 3.435 1.00 0.00 N ATOM 0 H ARG A 71 -6.324 -10.504 7.868 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.882 -7.644 7.367 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.819 -8.999 5.303 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.961 -10.138 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.908 -8.311 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.759 -8.588 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.687 -6.645 6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.618 -6.434 5.587 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.462 -5.653 5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.727 -6.366 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.392 -5.448 2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.324 -4.464 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.434 -4.368 2.476 1.00 0.00 H new ATOM 1070 N GLN A 72 -8.705 -7.690 9.028 1.00 0.00 N ATOM 1071 CA GLN A 72 -9.816 -7.652 9.965 1.00 0.00 C ATOM 1072 C GLN A 72 -10.849 -6.615 9.521 1.00 0.00 C ATOM 1073 O GLN A 72 -10.509 -5.456 9.285 1.00 0.00 O ATOM 1074 CB GLN A 72 -9.326 -7.365 11.385 1.00 0.00 C ATOM 1075 CG GLN A 72 -10.168 -8.116 12.418 1.00 0.00 C ATOM 1076 CD GLN A 72 -11.507 -7.413 12.650 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -11.581 -6.211 12.841 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -12.558 -8.228 12.622 1.00 0.00 N ATOM 0 H GLN A 72 -8.178 -6.820 8.955 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.294 -8.632 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.281 -7.659 11.479 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.374 -6.294 11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.343 -9.136 12.077 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.621 -8.184 13.358 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.425 -9.226 12.457 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.496 -7.855 12.766 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.090 -7.068 9.420 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.175 -6.193 9.009 1.00 0.00 C ATOM 1089 C ASN A 73 -14.307 -6.274 10.035 1.00 0.00 C ATOM 1090 O ASN A 73 -14.521 -7.320 10.647 1.00 0.00 O ATOM 1091 CB ASN A 73 -13.738 -6.615 7.650 1.00 0.00 C ATOM 1092 CG ASN A 73 -12.678 -7.340 6.819 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -11.777 -6.741 6.255 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.835 -8.660 6.774 1.00 0.00 N ATOM 0 H ASN A 73 -12.368 -8.030 9.616 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.782 -5.179 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.599 -7.267 7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.091 -5.736 7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.179 -9.234 6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.611 -9.098 7.269 1.00 0.00 H new ATOM 1146 N LEU A 78 -11.940 -12.745 11.158 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.602 -12.242 10.894 1.00 0.00 C ATOM 1148 C LEU A 78 -9.863 -13.225 9.984 1.00 0.00 C ATOM 1149 O LEU A 78 -9.913 -14.435 10.201 1.00 0.00 O ATOM 1150 CB LEU A 78 -9.871 -11.950 12.206 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.365 -11.708 12.094 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -8.065 -10.541 11.150 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -7.739 -11.502 13.475 1.00 0.00 C ATOM 0 HA LEU A 78 -10.650 -11.291 10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.327 -11.073 12.666 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.035 -12.787 12.885 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.908 -12.598 11.662 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.987 -10.391 11.089 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.457 -10.765 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.537 -9.635 11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.668 -11.332 13.367 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.197 -10.638 13.957 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.906 -12.389 14.086 1.00 0.00 H new ATOM 1165 N MET A 79 -9.195 -12.669 8.984 1.00 0.00 N ATOM 1166 CA MET A 79 -8.447 -13.482 8.040 1.00 0.00 C ATOM 1167 C MET A 79 -6.944 -13.219 8.161 1.00 0.00 C ATOM 1168 O MET A 79 -6.531 -12.130 8.554 1.00 0.00 O ATOM 1169 CB MET A 79 -8.907 -13.164 6.616 1.00 0.00 C ATOM 1170 CG MET A 79 -10.350 -13.621 6.392 1.00 0.00 C ATOM 1171 SD MET A 79 -10.757 -13.530 4.656 1.00 0.00 S ATOM 1172 CE MET A 79 -10.280 -11.844 4.314 1.00 0.00 C ATOM 0 H MET A 79 -9.156 -11.665 8.807 1.00 0.00 H new ATOM 0 HA MET A 79 -8.633 -14.532 8.266 1.00 0.00 H new ATOM 0 HB2 MET A 79 -8.829 -12.092 6.436 1.00 0.00 H new ATOM 0 HB3 MET A 79 -8.250 -13.657 5.899 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.476 -14.643 6.750 1.00 0.00 H new ATOM 0 HG3 MET A 79 -11.032 -12.995 6.967 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.790 -11.497 3.415 1.00 0.00 H new ATOM 0 HE2 MET A 79 -10.557 -11.210 5.156 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.202 -11.795 4.162 1.00 0.00 H new ATOM 1182 N THR A 80 -6.169 -14.237 7.817 1.00 0.00 N ATOM 1183 CA THR A 80 -4.721 -14.130 7.882 1.00 0.00 C ATOM 1184 C THR A 80 -4.081 -14.822 6.678 1.00 0.00 C ATOM 1185 O THR A 80 -3.751 -16.006 6.740 1.00 0.00 O ATOM 1186 CB THR A 80 -4.265 -14.703 9.226 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.704 -13.741 10.181 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.742 -14.708 9.374 1.00 0.00 C ATOM 0 H THR A 80 -6.516 -15.140 7.493 1.00 0.00 H new ATOM 0 HA THR A 80 -4.398 -13.090 7.829 1.00 0.00 H new ATOM 0 HB THR A 80 -4.643 -15.720 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.901 -14.189 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.472 -15.124 10.345 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.302 -15.316 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.366 -13.688 9.299 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.923 -14.054 5.609 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.328 -14.579 4.392 1.00 0.00 C ATOM 1198 C TYR A 81 -1.826 -14.811 4.572 1.00 0.00 C ATOM 1199 O TYR A 81 -1.028 -13.888 4.415 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.541 -13.506 3.322 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.707 -13.715 2.057 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -3.175 -14.534 1.049 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -1.487 -13.083 1.922 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -2.390 -14.731 -0.142 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -0.702 -13.280 0.731 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.192 -14.094 -0.242 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.451 -14.280 -1.367 1.00 0.00 O ATOM 0 H TYR A 81 -4.197 -13.073 5.561 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.781 -15.533 4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.596 -13.483 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.301 -12.531 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -4.130 -15.027 1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.121 -12.441 2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.744 -15.370 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.254 -12.792 0.613 1.00 0.00 H new ATOM 0 HH TYR A 81 0.379 -13.763 -1.301 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.486 -16.049 4.899 1.00 0.00 N ATOM 1218 CA ARG A 82 -0.095 -16.415 5.102 1.00 0.00 C ATOM 1219 C ARG A 82 0.627 -16.525 3.757 1.00 0.00 C ATOM 1220 O ARG A 82 0.165 -17.225 2.857 1.00 0.00 O ATOM 1221 CB ARG A 82 0.022 -17.746 5.847 1.00 0.00 C ATOM 1222 CG ARG A 82 1.485 -18.084 6.139 1.00 0.00 C ATOM 1223 CD ARG A 82 1.652 -18.612 7.565 1.00 0.00 C ATOM 1224 NE ARG A 82 1.620 -20.092 7.565 1.00 0.00 N ATOM 1225 CZ ARG A 82 1.623 -20.844 8.674 1.00 0.00 C ATOM 1226 NH1 ARG A 82 1.658 -20.260 9.879 1.00 0.00 N ATOM 1227 NH2 ARG A 82 1.593 -22.180 8.577 1.00 0.00 N ATOM 0 H ARG A 82 -2.151 -16.812 5.028 1.00 0.00 H new ATOM 0 HA ARG A 82 0.369 -15.634 5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.536 -17.694 6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.427 -18.541 5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.838 -18.830 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.102 -17.196 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.595 -18.261 7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.857 -18.223 8.201 1.00 0.00 H new ATOM 0 HE ARG A 82 1.594 -20.569 6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.682 -19.243 9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.660 -20.832 10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.568 -22.624 7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.595 -22.753 9.421 1.00 0.00 H new ATOM 1241 N PHE A 83 1.747 -15.824 3.663 1.00 0.00 N ATOM 1242 CA PHE A 83 2.536 -15.835 2.444 1.00 0.00 C ATOM 1243 C PHE A 83 3.292 -17.156 2.292 1.00 0.00 C ATOM 1244 O PHE A 83 3.349 -17.954 3.226 1.00 0.00 O ATOM 1245 CB PHE A 83 3.548 -14.692 2.555 1.00 0.00 C ATOM 1246 CG PHE A 83 3.042 -13.357 2.004 1.00 0.00 C ATOM 1247 CD1 PHE A 83 2.871 -13.196 0.664 1.00 0.00 C ATOM 1248 CD2 PHE A 83 2.764 -12.332 2.853 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.402 -11.957 0.153 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.295 -11.093 2.341 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.124 -10.932 1.002 1.00 0.00 C ATOM 0 H PHE A 83 2.127 -15.245 4.412 1.00 0.00 H new ATOM 0 HA PHE A 83 1.884 -15.719 1.578 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.820 -14.561 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.457 -14.972 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.092 -14.010 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.900 -12.460 3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.266 -11.829 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.074 -10.279 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.767 -9.990 0.613 1.00 0.00 H new ATOM 1261 N PRO A 84 3.869 -17.351 1.076 1.00 0.00 N ATOM 1262 CA PRO A 84 4.619 -18.562 0.789 1.00 0.00 C ATOM 1263 C PRO A 84 5.988 -18.534 1.472 1.00 0.00 C ATOM 1264 O PRO A 84 6.581 -17.469 1.639 1.00 0.00 O ATOM 1265 CB PRO A 84 4.713 -18.617 -0.727 1.00 0.00 C ATOM 1266 CG PRO A 84 4.421 -17.208 -1.214 1.00 0.00 C ATOM 1267 CD PRO A 84 3.822 -16.428 -0.055 1.00 0.00 C ATOM 0 HA PRO A 84 4.135 -19.458 1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.703 -18.943 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 84 3.996 -19.328 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.335 -16.728 -1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.730 -17.231 -2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.392 -15.522 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.799 -16.119 -0.272 1.00 0.00 H new ATOM 1275 N PRO A 85 6.463 -19.748 1.859 1.00 0.00 N ATOM 1276 CA PRO A 85 7.751 -19.872 2.520 1.00 0.00 C ATOM 1277 C PRO A 85 8.898 -19.703 1.522 1.00 0.00 C ATOM 1278 O PRO A 85 10.064 -19.870 1.877 1.00 0.00 O ATOM 1279 CB PRO A 85 7.727 -21.246 3.172 1.00 0.00 C ATOM 1280 CG PRO A 85 6.626 -22.022 2.468 1.00 0.00 C ATOM 1281 CD PRO A 85 5.788 -21.030 1.678 1.00 0.00 C ATOM 0 HA PRO A 85 7.918 -19.095 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.689 -21.747 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.528 -21.168 4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.053 -22.774 1.805 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.008 -22.551 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 85 5.737 -21.305 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.763 -20.994 2.048 1.00 0.00 H new ATOM 1289 N LYS A 86 8.527 -19.375 0.293 1.00 0.00 N ATOM 1290 CA LYS A 86 9.511 -19.181 -0.758 1.00 0.00 C ATOM 1291 C LYS A 86 9.263 -17.834 -1.441 1.00 0.00 C ATOM 1292 O LYS A 86 9.187 -17.760 -2.666 1.00 0.00 O ATOM 1293 CB LYS A 86 9.505 -20.369 -1.722 1.00 0.00 C ATOM 1294 CG LYS A 86 10.037 -21.631 -1.041 1.00 0.00 C ATOM 1295 CD LYS A 86 8.937 -22.323 -0.232 1.00 0.00 C ATOM 1296 CE LYS A 86 8.394 -23.544 -0.978 1.00 0.00 C ATOM 1297 NZ LYS A 86 6.921 -23.464 -1.099 1.00 0.00 N ATOM 0 H LYS A 86 7.559 -19.239 0.002 1.00 0.00 H new ATOM 0 HA LYS A 86 10.516 -19.145 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.491 -20.545 -2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.116 -20.137 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.427 -22.317 -1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.868 -21.372 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.331 -22.630 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.126 -21.621 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.844 -23.602 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.672 -24.455 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.577 -24.255 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.492 -23.517 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.658 -22.564 -1.549 1.00 0.00 H new ATOM 1311 N PHE A 87 9.145 -16.803 -0.617 1.00 0.00 N ATOM 1312 CA PHE A 87 8.907 -15.463 -1.126 1.00 0.00 C ATOM 1313 C PHE A 87 9.920 -14.471 -0.550 1.00 0.00 C ATOM 1314 O PHE A 87 10.286 -14.561 0.621 1.00 0.00 O ATOM 1315 CB PHE A 87 7.502 -15.057 -0.678 1.00 0.00 C ATOM 1316 CG PHE A 87 6.820 -14.050 -1.607 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.353 -14.451 -2.820 1.00 0.00 C ATOM 1318 CD2 PHE A 87 6.680 -12.754 -1.219 1.00 0.00 C ATOM 1319 CE1 PHE A 87 5.720 -13.516 -3.681 1.00 0.00 C ATOM 1320 CE2 PHE A 87 6.047 -11.819 -2.081 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.581 -12.220 -3.294 1.00 0.00 C ATOM 0 H PHE A 87 9.210 -16.869 0.399 1.00 0.00 H new ATOM 0 HA PHE A 87 9.006 -15.454 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.881 -15.950 -0.609 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.560 -14.631 0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.464 -15.480 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 87 7.050 -12.436 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.349 -13.834 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.936 -10.790 -1.773 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.101 -11.509 -3.950 1.00 0.00 H new ATOM 1331 N THR A 88 10.343 -13.546 -1.400 1.00 0.00 N ATOM 1332 CA THR A 88 11.306 -12.538 -0.990 1.00 0.00 C ATOM 1333 C THR A 88 11.000 -11.201 -1.669 1.00 0.00 C ATOM 1334 O THR A 88 11.254 -11.034 -2.861 1.00 0.00 O ATOM 1335 CB THR A 88 12.707 -13.069 -1.298 1.00 0.00 C ATOM 1336 OG1 THR A 88 13.036 -13.861 -0.159 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.765 -11.964 -1.301 1.00 0.00 C ATOM 0 H THR A 88 10.036 -13.474 -2.370 1.00 0.00 H new ATOM 0 HA THR A 88 11.244 -12.345 0.081 1.00 0.00 H new ATOM 0 HB THR A 88 12.701 -13.568 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.215 -14.104 0.319 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.741 -12.395 -1.525 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.514 -11.222 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.795 -11.487 -0.322 1.00 0.00 H new ATOM 1345 N LEU A 89 10.459 -10.284 -0.881 1.00 0.00 N ATOM 1346 CA LEU A 89 10.116 -8.967 -1.391 1.00 0.00 C ATOM 1347 C LEU A 89 11.356 -8.073 -1.357 1.00 0.00 C ATOM 1348 O LEU A 89 11.629 -7.421 -0.350 1.00 0.00 O ATOM 1349 CB LEU A 89 8.921 -8.392 -0.628 1.00 0.00 C ATOM 1350 CG LEU A 89 8.461 -6.997 -1.056 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.782 -7.040 -2.426 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.562 -6.365 0.009 1.00 0.00 C ATOM 0 H LEU A 89 10.250 -10.427 0.107 1.00 0.00 H new ATOM 0 HA LEU A 89 9.799 -9.032 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.082 -9.079 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.173 -8.361 0.432 1.00 0.00 H new ATOM 0 HG LEU A 89 9.342 -6.362 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.465 -6.036 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.484 -7.419 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.913 -7.696 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.249 -5.374 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.683 -6.991 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.113 -6.279 0.946 1.00 0.00 H new ATOM 1364 N LYS A 90 12.075 -8.070 -2.470 1.00 0.00 N ATOM 1365 CA LYS A 90 13.281 -7.266 -2.580 1.00 0.00 C ATOM 1366 C LYS A 90 12.999 -5.858 -2.054 1.00 0.00 C ATOM 1367 O LYS A 90 11.844 -5.486 -1.852 1.00 0.00 O ATOM 1368 CB LYS A 90 13.813 -7.292 -4.015 1.00 0.00 C ATOM 1369 CG LYS A 90 13.985 -8.730 -4.510 1.00 0.00 C ATOM 1370 CD LYS A 90 15.292 -8.888 -5.289 1.00 0.00 C ATOM 1371 CE LYS A 90 16.502 -8.779 -4.358 1.00 0.00 C ATOM 1372 NZ LYS A 90 17.760 -8.853 -5.133 1.00 0.00 N ATOM 0 H LYS A 90 11.846 -8.611 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 90 14.076 -7.684 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 90 13.126 -6.757 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.769 -6.771 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.978 -9.414 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.143 -9.003 -5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.304 -9.853 -5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.353 -8.122 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.462 -7.839 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.474 -9.581 -3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 18.571 -8.778 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.803 -9.761 -5.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.791 -8.073 -5.820 1.00 0.00 H new ATOM 1386 N ALA A 91 14.074 -5.112 -1.848 1.00 0.00 N ATOM 1387 CA ALA A 91 13.957 -3.752 -1.349 1.00 0.00 C ATOM 1388 C ALA A 91 13.494 -2.835 -2.483 1.00 0.00 C ATOM 1389 O ALA A 91 13.961 -2.956 -3.614 1.00 0.00 O ATOM 1390 CB ALA A 91 15.295 -3.310 -0.752 1.00 0.00 C ATOM 0 H ALA A 91 15.030 -5.423 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 91 13.212 -3.698 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.207 -2.290 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.565 -3.975 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.067 -3.349 -1.520 1.00 0.00 H new ATOM 1396 N GLY A 92 12.580 -1.939 -2.140 1.00 0.00 N ATOM 1397 CA GLY A 92 12.048 -1.003 -3.116 1.00 0.00 C ATOM 1398 C GLY A 92 11.058 -1.694 -4.056 1.00 0.00 C ATOM 1399 O GLY A 92 10.497 -1.059 -4.948 1.00 0.00 O ATOM 0 H GLY A 92 12.195 -1.841 -1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.553 -0.179 -2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.865 -0.573 -3.695 1.00 0.00 H new ATOM 1403 N GLN A 93 10.875 -2.986 -3.826 1.00 0.00 N ATOM 1404 CA GLN A 93 9.964 -3.770 -4.641 1.00 0.00 C ATOM 1405 C GLN A 93 8.544 -3.689 -4.077 1.00 0.00 C ATOM 1406 O GLN A 93 8.339 -3.195 -2.969 1.00 0.00 O ATOM 1407 CB GLN A 93 10.431 -5.223 -4.744 1.00 0.00 C ATOM 1408 CG GLN A 93 11.038 -5.507 -6.120 1.00 0.00 C ATOM 1409 CD GLN A 93 12.129 -4.489 -6.460 1.00 0.00 C ATOM 1410 OE1 GLN A 93 13.024 -4.313 -5.492 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 12.155 -3.903 -7.529 1.00 0.00 N flip ATOM 0 H GLN A 93 11.343 -3.509 -3.086 1.00 0.00 H new ATOM 0 HA GLN A 93 9.959 -3.353 -5.648 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.168 -5.428 -3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.589 -5.893 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.457 -6.513 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.257 -5.475 -6.879 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.436 -4.086 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.896 -3.230 -7.724 1.00 0.00 H new ATOM 1420 N VAL A 94 7.599 -4.183 -4.864 1.00 0.00 N ATOM 1421 CA VAL A 94 6.205 -4.174 -4.457 1.00 0.00 C ATOM 1422 C VAL A 94 5.550 -5.495 -4.865 1.00 0.00 C ATOM 1423 O VAL A 94 5.993 -6.146 -5.810 1.00 0.00 O ATOM 1424 CB VAL A 94 5.497 -2.950 -5.042 1.00 0.00 C ATOM 1425 CG1 VAL A 94 5.526 -2.979 -6.571 1.00 0.00 C ATOM 1426 CG2 VAL A 94 4.062 -2.846 -4.522 1.00 0.00 C ATOM 0 H VAL A 94 7.772 -4.592 -5.782 1.00 0.00 H new ATOM 0 HA VAL A 94 6.124 -4.093 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 94 6.037 -2.062 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.016 -2.098 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.560 -2.982 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.022 -3.877 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.582 -1.968 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.506 -3.740 -4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.074 -2.756 -3.436 1.00 0.00 H new ATOM 1436 N VAL A 95 4.505 -5.852 -4.132 1.00 0.00 N ATOM 1437 CA VAL A 95 3.784 -7.083 -4.406 1.00 0.00 C ATOM 1438 C VAL A 95 2.285 -6.846 -4.213 1.00 0.00 C ATOM 1439 O VAL A 95 1.874 -6.206 -3.246 1.00 0.00 O ATOM 1440 CB VAL A 95 4.329 -8.214 -3.530 1.00 0.00 C ATOM 1441 CG1 VAL A 95 4.289 -7.828 -2.050 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.565 -9.516 -3.778 1.00 0.00 C ATOM 0 H VAL A 95 4.141 -5.310 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 95 3.933 -7.391 -5.441 1.00 0.00 H new ATOM 0 HB VAL A 95 5.371 -8.379 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.681 -8.648 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.897 -6.938 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.260 -7.622 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.972 -10.303 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.511 -9.370 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.667 -9.804 -4.824 1.00 0.00 H new ATOM 1452 N THR A 96 1.510 -7.374 -5.148 1.00 0.00 N ATOM 1453 CA THR A 96 0.065 -7.228 -5.092 1.00 0.00 C ATOM 1454 C THR A 96 -0.600 -8.587 -4.868 1.00 0.00 C ATOM 1455 O THR A 96 -0.265 -9.565 -5.536 1.00 0.00 O ATOM 1456 CB THR A 96 -0.390 -6.534 -6.377 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.518 -5.445 -6.524 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.756 -5.862 -6.228 1.00 0.00 C ATOM 0 H THR A 96 1.855 -7.904 -5.949 1.00 0.00 H new ATOM 0 HA THR A 96 -0.237 -6.610 -4.247 1.00 0.00 H new ATOM 0 HB THR A 96 -0.430 -7.262 -7.187 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.296 -4.941 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.031 -5.385 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.504 -6.611 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.708 -5.110 -5.440 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.532 -8.606 -3.926 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.248 -9.829 -3.606 1.00 0.00 C ATOM 1468 C ILE A 97 -3.740 -9.627 -3.873 1.00 0.00 C ATOM 1469 O ILE A 97 -4.501 -9.312 -2.959 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.934 -10.275 -2.176 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.426 -10.443 -1.973 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.706 -11.546 -1.816 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.194 -9.169 -1.396 1.00 0.00 C ATOM 0 H ILE A 97 -1.808 -7.794 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.916 -10.644 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.266 -9.493 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.237 -11.280 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.048 -10.684 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.465 -11.841 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.776 -11.356 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.428 -12.347 -2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.266 -9.315 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.024 -8.339 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.265 -8.945 -0.433 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.115 -9.815 -5.130 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.503 -9.657 -5.528 1.00 0.00 C ATOM 1487 C TRP A 98 -6.307 -10.803 -4.910 1.00 0.00 C ATOM 1488 O TRP A 98 -5.732 -11.769 -4.411 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.632 -9.590 -7.051 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.662 -8.612 -7.716 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.364 -8.797 -7.994 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -4.967 -7.279 -8.178 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -2.812 -7.686 -8.599 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -3.818 -6.734 -8.715 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.174 -6.558 -8.145 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -3.763 -5.444 -9.257 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.101 -5.271 -8.691 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -4.953 -4.708 -9.235 1.00 0.00 C ATOM 0 H TRP A 98 -3.481 -10.075 -5.886 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.904 -8.713 -5.160 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.467 -10.586 -7.463 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.652 -9.304 -7.307 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.818 -9.702 -7.772 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -1.844 -7.583 -8.905 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.085 -6.965 -7.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -2.851 -5.039 -9.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.001 -4.673 -8.689 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -4.979 -3.707 -9.639 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.622 -10.657 -4.963 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.510 -11.667 -4.414 1.00 0.00 C ATOM 1511 C ALA A 99 -9.268 -12.348 -5.555 1.00 0.00 C ATOM 1512 O ALA A 99 -9.742 -11.683 -6.475 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.450 -11.022 -3.393 1.00 0.00 C ATOM 0 H ALA A 99 -8.094 -9.854 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.940 -12.435 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.116 -11.781 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.864 -10.579 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.041 -10.247 -3.881 1.00 0.00 H new ATOM 1519 N SER A 100 -9.359 -13.667 -5.459 1.00 0.00 N ATOM 1520 CA SER A 100 -10.052 -14.445 -6.471 1.00 0.00 C ATOM 1521 C SER A 100 -11.301 -13.698 -6.942 1.00 0.00 C ATOM 1522 O SER A 100 -11.717 -13.838 -8.091 1.00 0.00 O ATOM 1523 CB SER A 100 -10.430 -15.829 -5.940 1.00 0.00 C ATOM 1524 OG SER A 100 -11.107 -16.611 -6.920 1.00 0.00 O ATOM 0 H SER A 100 -8.964 -14.216 -4.695 1.00 0.00 H new ATOM 0 HA SER A 100 -9.378 -14.582 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.529 -16.352 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.066 -15.719 -5.062 1.00 0.00 H new ATOM 0 HG SER A 100 -11.330 -17.487 -6.542 1.00 0.00 H new ATOM 1530 N GLY A 101 -11.865 -12.920 -6.030 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.059 -12.150 -6.338 1.00 0.00 C ATOM 1532 C GLY A 101 -12.758 -11.060 -7.368 1.00 0.00 C ATOM 1533 O GLY A 101 -13.447 -10.950 -8.381 1.00 0.00 O ATOM 0 H GLY A 101 -11.518 -12.806 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.835 -12.813 -6.721 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.449 -11.696 -5.427 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.728 -10.280 -7.073 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.327 -9.202 -7.961 1.00 0.00 C ATOM 1539 C ALA A 102 -11.269 -9.725 -9.398 1.00 0.00 C ATOM 1540 O ALA A 102 -11.819 -9.109 -10.309 1.00 0.00 O ATOM 1541 CB ALA A 102 -9.988 -8.628 -7.495 1.00 0.00 C ATOM 0 H ALA A 102 -11.159 -10.373 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.056 -8.392 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.687 -7.819 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.090 -8.243 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.231 -9.412 -7.511 1.00 0.00 H new ATOM 1547 N GLY A 103 -10.598 -10.857 -9.555 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.461 -11.470 -10.865 1.00 0.00 C ATOM 1549 C GLY A 103 -9.219 -10.946 -11.589 1.00 0.00 C ATOM 1550 O GLY A 103 -9.154 -10.972 -12.817 1.00 0.00 O ATOM 0 H GLY A 103 -10.143 -11.365 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.394 -12.553 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.349 -11.262 -11.462 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.264 -10.483 -10.796 1.00 0.00 N ATOM 1555 CA ALA A 104 -7.027 -9.954 -11.346 1.00 0.00 C ATOM 1556 C ALA A 104 -6.330 -11.043 -12.163 1.00 0.00 C ATOM 1557 O ALA A 104 -6.946 -12.045 -12.522 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.149 -9.424 -10.210 1.00 0.00 C ATOM 0 H ALA A 104 -8.321 -10.463 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.231 -9.119 -12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.221 -9.027 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.678 -8.632 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.921 -10.235 -9.518 1.00 0.00 H new ATOM 1564 N THR A 105 -5.054 -10.810 -12.433 1.00 0.00 N ATOM 1565 CA THR A 105 -4.266 -11.759 -13.201 1.00 0.00 C ATOM 1566 C THR A 105 -3.040 -12.206 -12.401 1.00 0.00 C ATOM 1567 O THR A 105 -2.165 -11.396 -12.096 1.00 0.00 O ATOM 1568 CB THR A 105 -3.914 -11.108 -14.539 1.00 0.00 C ATOM 1569 OG1 THR A 105 -4.904 -11.601 -15.437 1.00 0.00 O ATOM 1570 CG2 THR A 105 -2.596 -11.629 -15.116 1.00 0.00 C ATOM 0 H THR A 105 -4.546 -9.978 -12.134 1.00 0.00 H new ATOM 0 HA THR A 105 -4.831 -12.669 -13.405 1.00 0.00 H new ATOM 0 HB THR A 105 -3.852 -10.027 -14.410 1.00 0.00 H new ATOM 0 HG1 THR A 105 -4.751 -11.227 -16.330 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.394 -11.134 -16.066 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.785 -11.420 -14.418 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.669 -12.705 -15.276 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.016 -13.492 -12.084 1.00 0.00 N ATOM 1579 CA HIS A 106 -1.912 -14.055 -11.326 1.00 0.00 C ATOM 1580 C HIS A 106 -0.601 -13.827 -12.081 1.00 0.00 C ATOM 1581 O HIS A 106 -0.378 -14.418 -13.137 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.166 -15.531 -11.012 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.371 -16.055 -9.839 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.220 -15.347 -8.660 1.00 0.00 N ATOM 1585 CD2 HIS A 106 -0.687 -17.224 -9.677 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.476 -16.066 -7.833 1.00 0.00 C ATOM 1587 NE2 HIS A 106 -0.146 -17.229 -8.465 1.00 0.00 N ATOM 0 H HIS A 106 -3.743 -14.160 -12.338 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.830 -13.547 -10.365 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.228 -15.671 -10.810 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -1.928 -16.126 -11.894 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -0.600 -18.012 -10.411 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.182 -15.781 -6.833 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.423 -17.979 -8.071 1.00 0.00 H new ATOM 1595 N SER A 107 0.232 -12.969 -11.511 1.00 0.00 N ATOM 1596 CA SER A 107 1.514 -12.656 -12.117 1.00 0.00 C ATOM 1597 C SER A 107 2.576 -12.472 -11.030 1.00 0.00 C ATOM 1598 O SER A 107 3.066 -11.364 -10.818 1.00 0.00 O ATOM 1599 CB SER A 107 1.421 -11.400 -12.985 1.00 0.00 C ATOM 1600 OG SER A 107 1.530 -11.701 -14.374 1.00 0.00 O ATOM 0 H SER A 107 0.044 -12.481 -10.635 1.00 0.00 H new ATOM 0 HA SER A 107 1.801 -13.489 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.472 -10.898 -12.796 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.211 -10.704 -12.702 1.00 0.00 H new ATOM 0 HG SER A 107 1.464 -10.873 -14.894 1.00 0.00 H new ATOM 1606 N PRO A 108 2.908 -13.604 -10.354 1.00 0.00 N ATOM 1607 CA PRO A 108 3.902 -13.578 -9.294 1.00 0.00 C ATOM 1608 C PRO A 108 5.315 -13.467 -9.871 1.00 0.00 C ATOM 1609 O PRO A 108 5.509 -13.601 -11.078 1.00 0.00 O ATOM 1610 CB PRO A 108 3.678 -14.863 -8.514 1.00 0.00 C ATOM 1611 CG PRO A 108 2.884 -15.777 -9.433 1.00 0.00 C ATOM 1612 CD PRO A 108 2.347 -14.933 -10.578 1.00 0.00 C ATOM 0 HA PRO A 108 3.801 -12.710 -8.643 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.627 -15.320 -8.234 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.133 -14.669 -7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.517 -16.579 -9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.065 -16.248 -8.889 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.654 -15.335 -11.544 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.257 -14.909 -10.575 1.00 0.00 H new ATOM 1620 N PRO A 109 6.290 -13.217 -8.957 1.00 0.00 N ATOM 1621 CA PRO A 109 5.975 -13.072 -7.546 1.00 0.00 C ATOM 1622 C PRO A 109 5.319 -11.719 -7.267 1.00 0.00 C ATOM 1623 O PRO A 109 4.799 -11.490 -6.176 1.00 0.00 O ATOM 1624 CB PRO A 109 7.302 -13.248 -6.826 1.00 0.00 C ATOM 1625 CG PRO A 109 8.379 -13.022 -7.875 1.00 0.00 C ATOM 1626 CD PRO A 109 7.714 -13.066 -9.242 1.00 0.00 C ATOM 0 HA PRO A 109 5.249 -13.807 -7.200 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.399 -12.536 -6.007 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.382 -14.245 -6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.868 -12.060 -7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.151 -13.788 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.910 -12.155 -9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.089 -13.898 -9.838 1.00 0.00 H new ATOM 1634 N THR A 110 5.364 -10.857 -8.273 1.00 0.00 N ATOM 1635 CA THR A 110 4.780 -9.532 -8.149 1.00 0.00 C ATOM 1636 C THR A 110 3.284 -9.634 -7.845 1.00 0.00 C ATOM 1637 O THR A 110 2.869 -9.484 -6.697 1.00 0.00 O ATOM 1638 CB THR A 110 5.087 -8.759 -9.433 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.639 -9.622 -10.474 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.589 -8.617 -9.687 1.00 0.00 C ATOM 0 H THR A 110 5.796 -11.050 -9.177 1.00 0.00 H new ATOM 0 HA THR A 110 5.213 -8.986 -7.311 1.00 0.00 H new ATOM 0 HB THR A 110 4.634 -7.769 -9.377 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.394 -10.492 -10.095 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.751 -8.061 -10.610 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.050 -8.083 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.038 -9.606 -9.776 1.00 0.00 H new ATOM 1648 N ASP A 111 2.516 -9.890 -8.893 1.00 0.00 N ATOM 1649 CA ASP A 111 1.075 -10.014 -8.753 1.00 0.00 C ATOM 1650 C ASP A 111 0.742 -11.380 -8.150 1.00 0.00 C ATOM 1651 O ASP A 111 1.406 -12.372 -8.446 1.00 0.00 O ATOM 1652 CB ASP A 111 0.378 -9.914 -10.111 1.00 0.00 C ATOM 1653 CG ASP A 111 0.123 -8.488 -10.603 1.00 0.00 C ATOM 1654 OD1 ASP A 111 0.949 -7.614 -10.263 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -0.892 -8.304 -11.310 1.00 0.00 O ATOM 0 H ASP A 111 2.864 -10.015 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 111 0.728 -9.205 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.983 -10.435 -10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.576 -10.438 -10.053 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.287 -11.388 -7.315 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.716 -12.617 -6.668 1.00 0.00 C ATOM 1662 C LEU A 112 -2.243 -12.627 -6.564 1.00 0.00 C ATOM 1663 O LEU A 112 -2.862 -11.582 -6.367 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.007 -12.790 -5.324 1.00 0.00 C ATOM 1665 CG LEU A 112 1.509 -12.990 -5.386 1.00 0.00 C ATOM 1666 CD1 LEU A 112 2.189 -12.414 -4.142 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.859 -14.464 -5.601 1.00 0.00 C ATOM 0 H LEU A 112 -0.836 -10.564 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.431 -13.482 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.213 -11.912 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.446 -13.646 -4.812 1.00 0.00 H new ATOM 0 HG LEU A 112 1.892 -12.440 -6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.266 -12.569 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.980 -11.346 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.806 -12.916 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.942 -14.579 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.462 -15.056 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.423 -14.809 -6.538 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.806 -13.818 -6.701 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.248 -13.978 -6.625 1.00 0.00 C ATOM 1681 C VAL A 113 -4.594 -14.888 -5.445 1.00 0.00 C ATOM 1682 O VAL A 113 -4.065 -15.993 -5.332 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.788 -14.496 -7.959 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.237 -14.968 -7.817 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.662 -13.433 -9.052 1.00 0.00 C ATOM 0 H VAL A 113 -2.289 -14.682 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.730 -13.017 -6.446 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.183 -15.353 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.597 -15.331 -8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.287 -15.773 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.860 -14.137 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.053 -13.827 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.230 -12.548 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.613 -13.166 -9.180 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.481 -14.391 -4.595 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.904 -15.146 -3.428 1.00 0.00 C ATOM 1697 C TRP A 114 -7.034 -16.084 -3.856 1.00 0.00 C ATOM 1698 O TRP A 114 -8.176 -15.655 -4.016 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.305 -14.210 -2.286 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.299 -14.874 -0.907 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -5.967 -16.135 -0.600 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.657 -14.255 0.347 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.085 -16.374 0.754 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.517 -15.194 1.348 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -7.085 -12.945 0.625 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.785 -14.923 2.696 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -7.348 -12.690 1.976 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -7.212 -13.625 2.997 1.00 0.00 C ATOM 0 H TRP A 114 -5.918 -13.475 -4.691 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.082 -15.746 -3.038 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.624 -13.359 -2.271 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.302 -13.817 -2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.647 -16.872 -1.322 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.891 -17.254 1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.202 -12.195 -0.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.668 -15.676 3.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.680 -11.698 2.244 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.435 -13.350 4.017 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.677 -17.348 -4.030 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.647 -18.351 -4.437 1.00 0.00 C ATOM 1721 C LYS A 115 -8.425 -18.829 -3.209 1.00 0.00 C ATOM 1722 O LYS A 115 -9.646 -18.966 -3.258 1.00 0.00 O ATOM 1723 CB LYS A 115 -6.960 -19.480 -5.208 1.00 0.00 C ATOM 1724 CG LYS A 115 -7.498 -19.575 -6.637 1.00 0.00 C ATOM 1725 CD LYS A 115 -8.417 -20.788 -6.796 1.00 0.00 C ATOM 1726 CE LYS A 115 -8.304 -21.380 -8.203 1.00 0.00 C ATOM 1727 NZ LYS A 115 -7.070 -22.188 -8.328 1.00 0.00 N ATOM 0 H LYS A 115 -5.729 -17.701 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.373 -17.921 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.884 -19.307 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.119 -20.427 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.044 -18.665 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.667 -19.649 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.157 -21.546 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.449 -20.495 -6.602 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.175 -22.001 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.297 -20.579 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.808 -22.269 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.298 -21.727 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.235 -23.137 -7.935 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.685 -19.070 -2.137 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.290 -19.531 -0.898 1.00 0.00 C ATOM 1743 C ALA A 116 -9.475 -18.628 -0.548 1.00 0.00 C ATOM 1744 O ALA A 116 -10.480 -19.096 -0.015 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.232 -19.560 0.207 1.00 0.00 C ATOM 0 H ALA A 116 -6.672 -18.955 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.671 -20.546 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.686 -19.906 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.427 -20.237 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.829 -18.558 0.351 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.317 -17.350 -0.862 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.361 -16.378 -0.587 1.00 0.00 C ATOM 1753 C GLN A 117 -10.907 -15.801 -1.895 1.00 0.00 C ATOM 1754 O GLN A 117 -10.388 -16.095 -2.971 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.847 -15.266 0.330 1.00 0.00 C ATOM 1756 CG GLN A 117 -10.533 -15.322 1.697 1.00 0.00 C ATOM 1757 CD GLN A 117 -12.054 -15.228 1.551 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -12.741 -16.208 1.313 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -12.538 -13.999 1.706 1.00 0.00 N ATOM 0 H GLN A 117 -8.482 -16.966 -1.304 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.175 -16.885 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.769 -15.363 0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.028 -14.296 -0.132 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.269 -16.251 2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.173 -14.505 2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.906 -13.223 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.541 -13.832 1.627 1.00 0.00 H new ATOM 1768 N ASN A 118 -11.946 -14.991 -1.758 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.568 -14.370 -2.916 1.00 0.00 C ATOM 1770 C ASN A 118 -12.865 -12.902 -2.604 1.00 0.00 C ATOM 1771 O ASN A 118 -13.632 -12.256 -3.316 1.00 0.00 O ATOM 1772 CB ASN A 118 -13.890 -15.057 -3.265 1.00 0.00 C ATOM 1773 CG ASN A 118 -13.866 -16.531 -2.857 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -13.494 -17.407 -3.620 1.00 0.00 O ATOM 1775 ND2 ASN A 118 -14.284 -16.755 -1.615 1.00 0.00 N ATOM 0 H ASN A 118 -12.373 -14.750 -0.864 1.00 0.00 H new ATOM 0 HA ASN A 118 -11.881 -14.461 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -14.712 -14.550 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.075 -14.975 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -14.307 -17.707 -1.248 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -14.582 -15.975 -1.029 1.00 0.00 H new ATOM 1782 N THR A 119 -12.243 -12.419 -1.539 1.00 0.00 N ATOM 1783 CA THR A 119 -12.432 -11.039 -1.124 1.00 0.00 C ATOM 1784 C THR A 119 -11.538 -10.716 0.075 1.00 0.00 C ATOM 1785 O THR A 119 -11.257 -11.587 0.897 1.00 0.00 O ATOM 1786 CB THR A 119 -13.921 -10.829 -0.846 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.978 -9.560 -0.199 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.466 -11.804 0.200 1.00 0.00 C ATOM 0 H THR A 119 -11.608 -12.958 -0.951 1.00 0.00 H new ATOM 0 HA THR A 119 -12.132 -10.345 -1.909 1.00 0.00 H new ATOM 0 HB THR A 119 -14.482 -10.941 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 119 -14.549 -9.623 0.595 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.527 -11.611 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.332 -12.827 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 119 -13.928 -11.669 1.138 1.00 0.00 H new ATOM 1796 N TRP A 120 -11.117 -9.461 0.137 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.261 -9.012 1.222 1.00 0.00 C ATOM 1798 C TRP A 120 -11.155 -8.452 2.330 1.00 0.00 C ATOM 1799 O TRP A 120 -10.679 -7.756 3.225 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.225 -8.003 0.722 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.924 -8.639 0.229 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.547 -8.873 -1.035 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.835 -9.115 1.049 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.301 -9.463 -1.090 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.854 -9.615 0.217 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.685 -9.123 2.447 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.654 -10.159 0.689 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.480 -9.670 2.902 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.482 -10.178 2.078 1.00 0.00 C ATOM 0 H TRP A 120 -11.353 -8.741 -0.546 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.685 -9.844 1.627 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.662 -7.420 -0.089 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -8.994 -7.306 1.527 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -8.143 -8.630 -1.902 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.800 -9.737 -1.935 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.440 -8.738 3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.901 -10.544 0.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.313 -9.700 3.969 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.579 -10.585 2.507 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.436 -8.776 2.232 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.402 -8.314 3.214 1.00 0.00 C ATOM 1822 C GLY A 121 -13.695 -6.823 3.035 1.00 0.00 C ATOM 1823 O GLY A 121 -12.828 -5.983 3.272 1.00 0.00 O ATOM 0 H GLY A 121 -12.827 -9.353 1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.326 -8.884 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.020 -8.495 4.219 1.00 0.00 H new ATOM 1827 N CYS A 122 -14.921 -6.539 2.619 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.339 -5.164 2.405 1.00 0.00 C ATOM 1829 C CYS A 122 -16.093 -4.692 3.650 1.00 0.00 C ATOM 1830 O CYS A 122 -16.095 -5.374 4.674 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.184 -5.020 1.138 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.561 -6.225 1.164 1.00 0.00 S ATOM 0 H CYS A 122 -15.638 -7.238 2.425 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.462 -4.535 2.251 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -16.578 -4.006 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.564 -5.183 0.257 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.274 -6.093 0.085 1.00 0.00 H new ATOM 1838 N GLY A 123 -16.715 -3.530 3.521 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.471 -2.959 4.623 1.00 0.00 C ATOM 1840 C GLY A 123 -16.942 -1.572 4.991 1.00 0.00 C ATOM 1841 O GLY A 123 -15.774 -1.266 4.754 1.00 0.00 O ATOM 0 H GLY A 123 -16.711 -2.968 2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.524 -2.890 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -17.410 -3.617 5.490 1.00 0.00 H new ATOM 1845 N SER A 124 -17.826 -0.769 5.563 1.00 0.00 N ATOM 1846 CA SER A 124 -17.463 0.579 5.966 1.00 0.00 C ATOM 1847 C SER A 124 -16.239 0.539 6.884 1.00 0.00 C ATOM 1848 O SER A 124 -15.330 1.356 6.748 1.00 0.00 O ATOM 1849 CB SER A 124 -18.629 1.278 6.667 1.00 0.00 C ATOM 1850 OG SER A 124 -19.083 0.550 7.805 1.00 0.00 O ATOM 0 H SER A 124 -18.794 -1.026 5.757 1.00 0.00 H new ATOM 0 HA SER A 124 -17.219 1.149 5.070 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.320 2.277 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.453 1.402 5.964 1.00 0.00 H new ATOM 0 HG SER A 124 -19.827 1.030 8.225 1.00 0.00 H new ATOM 1856 N SER A 125 -16.256 -0.420 7.798 1.00 0.00 N ATOM 1857 CA SER A 125 -15.160 -0.578 8.738 1.00 0.00 C ATOM 1858 C SER A 125 -14.184 -1.641 8.231 1.00 0.00 C ATOM 1859 O SER A 125 -14.572 -2.786 8.002 1.00 0.00 O ATOM 1860 CB SER A 125 -15.676 -0.951 10.129 1.00 0.00 C ATOM 1861 OG SER A 125 -16.593 0.015 10.635 1.00 0.00 O ATOM 0 H SER A 125 -17.012 -1.096 7.907 1.00 0.00 H new ATOM 0 HA SER A 125 -14.639 0.376 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 125 -16.163 -1.925 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.834 -1.046 10.815 1.00 0.00 H new ATOM 0 HG SER A 125 -16.901 -0.260 11.524 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.936 -1.226 8.070 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.902 -2.129 7.593 1.00 0.00 C ATOM 1869 C LEU A 126 -10.625 -1.909 8.406 1.00 0.00 C ATOM 1870 O LEU A 126 -10.371 -0.804 8.883 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.706 -1.970 6.084 1.00 0.00 C ATOM 1872 CG LEU A 126 -12.978 -1.766 5.260 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.729 -0.805 4.096 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.546 -3.105 4.786 1.00 0.00 C ATOM 0 H LEU A 126 -12.617 -0.276 8.261 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.202 -3.166 7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.045 -1.121 5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.192 -2.855 5.709 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.730 -1.307 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.649 -0.677 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.406 0.161 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.954 -1.213 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.450 -2.931 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.808 -3.615 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.786 -3.725 5.650 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.855 -2.978 8.540 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.610 -2.916 9.287 1.00 0.00 C ATOM 1888 C ARG A 127 -7.634 -3.981 8.783 1.00 0.00 C ATOM 1889 O ARG A 127 -7.797 -5.165 9.075 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.855 -3.125 10.783 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.622 -2.731 11.600 1.00 0.00 C ATOM 1892 CD ARG A 127 -7.659 -3.371 12.989 1.00 0.00 C ATOM 1893 NE ARG A 127 -8.073 -2.369 13.997 1.00 0.00 N ATOM 1894 CZ ARG A 127 -8.495 -2.675 15.231 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -8.562 -3.957 15.618 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -8.851 -1.700 16.079 1.00 0.00 N ATOM 0 H ARG A 127 -10.069 -3.893 8.144 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.181 -1.925 9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.712 -2.531 11.101 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -9.103 -4.169 10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.719 -3.043 11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.576 -1.646 11.696 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.353 -4.211 12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.676 -3.769 13.242 1.00 0.00 H new ATOM 0 HE ARG A 127 -8.035 -1.384 13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.292 -4.699 14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -8.883 -4.190 16.558 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -8.801 -0.725 15.785 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -9.172 -1.933 17.019 1.00 0.00 H new ATOM 1910 N THR A 128 -6.642 -3.522 8.034 1.00 0.00 N ATOM 1911 CA THR A 128 -5.641 -4.421 7.486 1.00 0.00 C ATOM 1912 C THR A 128 -4.353 -4.349 8.309 1.00 0.00 C ATOM 1913 O THR A 128 -4.060 -3.324 8.922 1.00 0.00 O ATOM 1914 CB THR A 128 -5.441 -4.064 6.012 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.658 -4.466 5.389 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.374 -4.931 5.339 1.00 0.00 C ATOM 0 H THR A 128 -6.510 -2.539 7.794 1.00 0.00 H new ATOM 0 HA THR A 128 -5.968 -5.459 7.542 1.00 0.00 H new ATOM 0 HB THR A 128 -5.162 -3.014 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 128 -7.004 -3.731 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.272 -4.637 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.420 -4.796 5.849 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.669 -5.979 5.393 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.618 -5.451 8.296 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.368 -5.526 9.034 1.00 0.00 C ATOM 1926 C ALA A 129 -1.439 -6.534 8.354 1.00 0.00 C ATOM 1927 O ALA A 129 -1.899 -7.424 7.640 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.656 -5.891 10.492 1.00 0.00 C ATOM 0 H ALA A 129 -3.864 -6.300 7.786 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.864 -4.560 9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.718 -5.947 11.045 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.295 -5.129 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -3.160 -6.857 10.533 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.149 -6.359 8.599 1.00 0.00 N ATOM 1935 CA LEU A 130 0.849 -7.242 8.019 1.00 0.00 C ATOM 1936 C LEU A 130 1.635 -7.923 9.141 1.00 0.00 C ATOM 1937 O LEU A 130 2.082 -7.264 10.079 1.00 0.00 O ATOM 1938 CB LEU A 130 1.729 -6.479 7.027 1.00 0.00 C ATOM 1939 CG LEU A 130 2.893 -7.264 6.420 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.413 -8.157 5.274 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.019 -6.326 5.982 1.00 0.00 C ATOM 0 H LEU A 130 0.228 -5.619 9.191 1.00 0.00 H new ATOM 0 HA LEU A 130 0.369 -8.031 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.098 -6.118 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.133 -5.601 7.531 1.00 0.00 H new ATOM 0 HG LEU A 130 3.301 -7.919 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.260 -8.704 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.673 -8.864 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.964 -7.540 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.834 -6.910 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.641 -5.628 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.386 -5.770 6.845 1.00 0.00 H new ATOM 1953 N ILE A 131 1.781 -9.233 9.008 1.00 0.00 N ATOM 1954 CA ILE A 131 2.505 -10.010 9.999 1.00 0.00 C ATOM 1955 C ILE A 131 3.749 -10.622 9.351 1.00 0.00 C ATOM 1956 O ILE A 131 3.735 -10.960 8.168 1.00 0.00 O ATOM 1957 CB ILE A 131 1.582 -11.041 10.651 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.257 -10.402 11.072 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.279 -11.738 11.821 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.489 -9.260 12.064 1.00 0.00 C ATOM 0 H ILE A 131 1.410 -9.776 8.228 1.00 0.00 H new ATOM 0 HA ILE A 131 2.850 -9.367 10.809 1.00 0.00 H new ATOM 0 HB ILE A 131 1.349 -11.807 9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.264 -10.024 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.387 -11.156 11.524 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.601 -12.466 12.267 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.173 -12.247 11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.560 -10.998 12.570 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.469 -8.823 12.347 1.00 0.00 H new ATOM 0 HD12 ILE A 131 0.988 -9.646 12.953 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.113 -8.496 11.600 1.00 0.00 H new ATOM 1972 N ASN A 132 4.795 -10.747 10.154 1.00 0.00 N ATOM 1973 CA ASN A 132 6.045 -11.312 9.674 1.00 0.00 C ATOM 1974 C ASN A 132 6.138 -12.776 10.109 1.00 0.00 C ATOM 1975 O ASN A 132 5.147 -13.362 10.543 1.00 0.00 O ATOM 1976 CB ASN A 132 7.247 -10.567 10.259 1.00 0.00 C ATOM 1977 CG ASN A 132 7.316 -10.745 11.777 1.00 0.00 C ATOM 1978 OD1 ASN A 132 7.866 -11.704 12.292 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.728 -9.768 12.463 1.00 0.00 N ATOM 0 H ASN A 132 4.803 -10.467 11.135 1.00 0.00 H new ATOM 0 HA ASN A 132 6.060 -11.223 8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.166 -10.937 9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.176 -9.507 10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.720 -9.794 13.483 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.285 -8.993 11.969 1.00 0.00 H new ATOM 1986 N SER A 133 7.337 -13.324 9.978 1.00 0.00 N ATOM 1987 CA SER A 133 7.572 -14.708 10.352 1.00 0.00 C ATOM 1988 C SER A 133 6.727 -15.070 11.575 1.00 0.00 C ATOM 1989 O SER A 133 5.822 -15.897 11.486 1.00 0.00 O ATOM 1990 CB SER A 133 9.054 -14.957 10.638 1.00 0.00 C ATOM 1991 OG SER A 133 9.353 -14.863 12.028 1.00 0.00 O ATOM 0 H SER A 133 8.156 -12.834 9.618 1.00 0.00 H new ATOM 0 HA SER A 133 7.280 -15.343 9.516 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.332 -15.946 10.273 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.656 -14.233 10.088 1.00 0.00 H new ATOM 0 HG SER A 133 10.308 -15.030 12.169 1.00 0.00 H new ATOM 1997 N THR A 134 7.054 -14.433 12.690 1.00 0.00 N ATOM 1998 CA THR A 134 6.337 -14.678 13.930 1.00 0.00 C ATOM 1999 C THR A 134 5.008 -13.919 13.936 1.00 0.00 C ATOM 2000 O THR A 134 4.815 -12.992 13.151 1.00 0.00 O ATOM 2001 CB THR A 134 7.258 -14.300 15.092 1.00 0.00 C ATOM 2002 OG1 THR A 134 6.547 -14.726 16.251 1.00 0.00 O ATOM 2003 CG2 THR A 134 7.386 -12.786 15.269 1.00 0.00 C ATOM 0 H THR A 134 7.806 -13.747 12.761 1.00 0.00 H new ATOM 0 HA THR A 134 6.075 -15.731 14.034 1.00 0.00 H new ATOM 0 HB THR A 134 8.246 -14.731 14.927 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.074 -14.521 17.052 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.050 -12.572 16.106 1.00 0.00 H new ATOM 0 HG22 THR A 134 7.796 -12.347 14.360 1.00 0.00 H new ATOM 0 HG23 THR A 134 6.403 -12.358 15.467 1.00 0.00 H new ATOM 2011 N GLY A 135 4.127 -14.340 14.831 1.00 0.00 N ATOM 2012 CA GLY A 135 2.822 -13.711 14.950 1.00 0.00 C ATOM 2013 C GLY A 135 2.949 -12.282 15.479 1.00 0.00 C ATOM 2014 O GLY A 135 2.434 -11.965 16.551 1.00 0.00 O ATOM 0 H GLY A 135 4.291 -15.109 15.481 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.329 -13.700 13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.192 -14.296 15.620 1.00 0.00 H new ATOM 2018 N GLU A 136 3.637 -11.456 14.704 1.00 0.00 N ATOM 2019 CA GLU A 136 3.838 -10.068 15.082 1.00 0.00 C ATOM 2020 C GLU A 136 3.600 -9.151 13.880 1.00 0.00 C ATOM 2021 O GLU A 136 4.054 -9.441 12.774 1.00 0.00 O ATOM 2022 CB GLU A 136 5.236 -9.855 15.666 1.00 0.00 C ATOM 2023 CG GLU A 136 5.641 -8.381 15.595 1.00 0.00 C ATOM 2024 CD GLU A 136 6.991 -8.150 16.276 1.00 0.00 C ATOM 2025 OE1 GLU A 136 7.019 -8.232 17.523 1.00 0.00 O ATOM 2026 OE2 GLU A 136 7.965 -7.898 15.535 1.00 0.00 O ATOM 0 H GLU A 136 4.062 -11.722 13.816 1.00 0.00 H new ATOM 0 HA GLU A 136 3.115 -9.814 15.857 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.256 -10.192 16.702 1.00 0.00 H new ATOM 0 HB3 GLU A 136 5.959 -10.461 15.120 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.696 -8.065 14.553 1.00 0.00 H new ATOM 0 HG3 GLU A 136 4.878 -7.767 16.074 1.00 0.00 H new ATOM 2033 N GLU A 137 2.889 -8.063 14.137 1.00 0.00 N ATOM 2034 CA GLU A 137 2.585 -7.102 13.090 1.00 0.00 C ATOM 2035 C GLU A 137 3.756 -6.135 12.902 1.00 0.00 C ATOM 2036 O GLU A 137 4.356 -5.685 13.877 1.00 0.00 O ATOM 2037 CB GLU A 137 1.292 -6.345 13.399 1.00 0.00 C ATOM 2038 CG GLU A 137 0.969 -5.339 12.293 1.00 0.00 C ATOM 2039 CD GLU A 137 0.393 -4.047 12.878 1.00 0.00 C ATOM 2040 OE1 GLU A 137 -0.666 -4.145 13.535 1.00 0.00 O ATOM 2041 OE2 GLU A 137 1.024 -2.992 12.654 1.00 0.00 O ATOM 0 H GLU A 137 2.514 -7.825 15.056 1.00 0.00 H new ATOM 0 HA GLU A 137 2.434 -7.645 12.157 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.469 -7.052 13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.390 -5.825 14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.872 -5.115 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 137 0.255 -5.777 11.596 1.00 0.00 H new ATOM 2048 N VAL A 138 4.045 -5.845 11.642 1.00 0.00 N ATOM 2049 CA VAL A 138 5.133 -4.939 11.314 1.00 0.00 C ATOM 2050 C VAL A 138 4.557 -3.642 10.742 1.00 0.00 C ATOM 2051 O VAL A 138 5.141 -2.573 10.907 1.00 0.00 O ATOM 2052 CB VAL A 138 6.117 -5.626 10.365 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.016 -6.605 11.122 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.379 -6.329 9.224 1.00 0.00 C ATOM 0 H VAL A 138 3.545 -6.221 10.836 1.00 0.00 H new ATOM 0 HA VAL A 138 5.695 -4.677 12.210 1.00 0.00 H new ATOM 0 HB VAL A 138 6.753 -4.856 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.706 -7.080 10.424 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.582 -6.066 11.882 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.402 -7.368 11.600 1.00 0.00 H new ATOM 0 HG21 VAL A 138 6.102 -6.809 8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.707 -7.082 9.635 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.802 -5.597 8.659 1.00 0.00 H new ATOM 2064 N ALA A 139 3.417 -3.780 10.081 1.00 0.00 N ATOM 2065 CA ALA A 139 2.755 -2.633 9.483 1.00 0.00 C ATOM 2066 C ALA A 139 1.239 -2.813 9.587 1.00 0.00 C ATOM 2067 O ALA A 139 0.751 -3.935 9.719 1.00 0.00 O ATOM 2068 CB ALA A 139 3.225 -2.468 8.036 1.00 0.00 C ATOM 0 H ALA A 139 2.935 -4.669 9.946 1.00 0.00 H new ATOM 0 HA ALA A 139 3.016 -1.719 10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.728 -1.608 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.304 -2.313 8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 139 2.978 -3.365 7.469 1.00 0.00 H new ATOM 2074 N MET A 140 0.536 -1.692 9.523 1.00 0.00 N ATOM 2075 CA MET A 140 -0.914 -1.712 9.608 1.00 0.00 C ATOM 2076 C MET A 140 -1.532 -0.667 8.677 1.00 0.00 C ATOM 2077 O MET A 140 -0.914 0.357 8.390 1.00 0.00 O ATOM 2078 CB MET A 140 -1.345 -1.432 11.049 1.00 0.00 C ATOM 2079 CG MET A 140 -1.292 0.066 11.355 1.00 0.00 C ATOM 2080 SD MET A 140 -1.810 0.364 13.037 1.00 0.00 S ATOM 2081 CE MET A 140 -3.560 0.610 12.784 1.00 0.00 C ATOM 0 H MET A 140 0.944 -0.764 9.413 1.00 0.00 H new ATOM 0 HA MET A 140 -1.264 -2.697 9.300 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.357 -1.804 11.209 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.695 -1.971 11.738 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.279 0.440 11.206 1.00 0.00 H new ATOM 0 HG3 MET A 140 -1.938 0.610 10.665 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.096 0.387 13.707 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.744 1.646 12.499 1.00 0.00 H new ATOM 0 HE3 MET A 140 -3.910 -0.052 11.992 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.745 -0.961 8.231 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.453 -0.060 7.339 1.00 0.00 C ATOM 2093 C ARG A 141 -4.953 -0.084 7.640 1.00 0.00 C ATOM 2094 O ARG A 141 -5.713 -0.783 6.971 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.228 -0.443 5.875 1.00 0.00 C ATOM 2096 CG ARG A 141 -3.834 0.601 4.935 1.00 0.00 C ATOM 2097 CD ARG A 141 -3.130 0.589 3.576 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.006 1.551 3.580 1.00 0.00 N ATOM 2099 CZ ARG A 141 -2.154 2.880 3.500 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -3.380 3.413 3.408 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -1.077 3.677 3.510 1.00 0.00 N ATOM 0 H ARG A 141 -3.255 -1.811 8.471 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.062 0.944 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.160 -0.536 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.674 -1.418 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -4.897 0.401 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -3.751 1.591 5.383 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.761 -0.413 3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -3.838 0.847 2.788 1.00 0.00 H new ATOM 0 HE ARG A 141 -1.059 1.179 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -4.200 2.807 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.493 4.425 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.143 3.272 3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.191 4.689 3.449 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.335 0.686 8.649 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.730 0.761 9.047 1.00 0.00 C ATOM 2117 C LYS A 142 -7.484 1.675 8.079 1.00 0.00 C ATOM 2118 O LYS A 142 -6.888 2.555 7.459 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.847 1.186 10.512 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.186 0.745 11.106 1.00 0.00 C ATOM 2121 CD LYS A 142 -9.125 1.940 11.288 1.00 0.00 C ATOM 2122 CE LYS A 142 -9.881 1.845 12.615 1.00 0.00 C ATOM 2123 NZ LYS A 142 -10.841 0.719 12.585 1.00 0.00 N ATOM 0 H LYS A 142 -4.702 1.263 9.203 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.197 -0.222 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.029 0.751 11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.750 2.269 10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.652 0.007 10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.019 0.259 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.551 2.866 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.836 1.978 10.462 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -9.175 1.707 13.434 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.411 2.778 12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.748 1.025 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -10.988 0.414 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.463 -0.075 13.140 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.783 1.436 7.981 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.625 2.228 7.099 1.00 0.00 C ATOM 2139 C LEU A 143 -11.088 2.061 7.512 1.00 0.00 C ATOM 2140 O LEU A 143 -11.627 0.956 7.469 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.354 1.869 5.636 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.590 2.914 4.820 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -7.154 2.459 4.553 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -9.335 3.250 3.526 1.00 0.00 C ATOM 0 H LEU A 143 -9.274 0.706 8.497 1.00 0.00 H new ATOM 0 HA LEU A 143 -9.386 3.287 7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -8.793 0.935 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.309 1.681 5.146 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.533 3.831 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.633 3.220 3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.637 2.310 5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.167 1.522 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -8.771 3.995 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -9.444 2.348 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -10.321 3.647 3.767 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.690 3.174 7.904 1.00 0.00 N ATOM 2157 CA VAL A 144 -13.080 3.165 8.325 1.00 0.00 C ATOM 2158 C VAL A 144 -13.845 4.252 7.568 1.00 0.00 C ATOM 2159 O VAL A 144 -13.424 5.407 7.539 1.00 0.00 O ATOM 2160 CB VAL A 144 -13.168 3.321 9.845 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -14.605 3.129 10.333 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -12.215 2.354 10.551 1.00 0.00 C ATOM 0 H VAL A 144 -11.240 4.089 7.939 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.546 2.210 8.082 1.00 0.00 H new ATOM 0 HB VAL A 144 -12.862 4.336 10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -14.640 3.245 11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -15.250 3.874 9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -14.950 2.131 10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -12.297 2.485 11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -12.477 1.329 10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -11.191 2.558 10.237 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.956 3.844 6.972 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.784 4.769 6.217 1.00 0.00 C ATOM 2174 C ARG A 145 -16.712 5.540 7.157 1.00 0.00 C ATOM 2175 O ARG A 145 -17.237 4.977 8.116 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.625 4.029 5.174 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.631 4.973 4.512 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.596 4.201 3.610 1.00 0.00 C ATOM 2179 NE ARG A 145 -19.592 5.125 3.025 1.00 0.00 N ATOM 2180 CZ ARG A 145 -20.791 4.744 2.564 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -21.150 3.454 2.616 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -21.632 5.652 2.051 1.00 0.00 N ATOM 0 H ARG A 145 -15.302 2.885 6.997 1.00 0.00 H new ATOM 0 HA ARG A 145 -15.121 5.466 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -15.972 3.597 4.415 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -17.154 3.202 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -18.193 5.507 5.278 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -17.100 5.723 3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -18.042 3.700 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -19.102 3.425 4.185 1.00 0.00 H new ATOM 0 HE ARG A 145 -19.351 6.115 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -20.510 2.762 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -22.063 3.164 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -21.360 6.634 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -22.545 5.361 1.700 1.00 0.00 H new