USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=24 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= -8.5! C(o=-9.1!,f=-16!) USER MOD Set 1.2: A 133 SER OG : rot 180:sc= -0.578 USER MOD Set 2.1: A 79 MET CE :methyl 141:sc= -2.74 (180deg=-7.69!) USER MOD Set 2.2: A 117 GLN : amide:sc= -0.295 K(o=-3,f=-4) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.245 K(o=1.5,f=-4.9!) USER MOD Set 3.2: A 58 SER OG : rot 116:sc= 1.24 USER MOD Single : A 33 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.15) USER MOD Single : A 36 THR OG1 : rot 100:sc= -0.947 USER MOD Single : A 37 SER OG : rot 180:sc= -0.343 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.365 F(o=-1.2,f=-0.37) USER MOD Single : A 62 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 177:sc= -0.566 (180deg=-0.596) USER MOD Single : A 66 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.029) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 72 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.6!) USER MOD Single : A 73 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.8!) USER MOD Single : A 80 THR OG1 : rot 170:sc= -0.0366 USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0818 USER MOD Single : A 86 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0295) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.792 F(o=-1.8,f=-0.79) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-5.8!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.501 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.66) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= 0.053 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= -0.616 USER MOD Single : A 128 THR OG1 : rot -120:sc= -0.764 USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 140 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 439 N HIS A 33 -5.759 5.013 7.939 1.00 0.00 N ATOM 440 CA HIS A 33 -5.039 5.011 9.201 1.00 0.00 C ATOM 441 C HIS A 33 -4.097 3.806 9.253 1.00 0.00 C ATOM 442 O HIS A 33 -4.361 2.838 9.963 1.00 0.00 O ATOM 443 CB HIS A 33 -6.012 5.054 10.381 1.00 0.00 C ATOM 444 CG HIS A 33 -6.737 6.370 10.532 1.00 0.00 C ATOM 445 ND1 HIS A 33 -6.083 7.590 10.536 1.00 0.00 N ATOM 446 CD2 HIS A 33 -8.064 6.644 10.683 1.00 0.00 C ATOM 447 CE1 HIS A 33 -6.986 8.548 10.684 1.00 0.00 C ATOM 448 NE2 HIS A 33 -8.213 7.960 10.775 1.00 0.00 N ATOM 0 HA HIS A 33 -4.427 5.910 9.276 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.747 4.258 10.262 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.463 4.846 11.299 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.859 5.914 10.721 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.786 9.608 10.725 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.099 8.451 10.894 1.00 0.00 H new ATOM 456 N ALA A 34 -3.019 3.906 8.490 1.00 0.00 N ATOM 457 CA ALA A 34 -2.036 2.837 8.440 1.00 0.00 C ATOM 458 C ALA A 34 -0.761 3.287 9.154 1.00 0.00 C ATOM 459 O ALA A 34 -0.395 4.461 9.098 1.00 0.00 O ATOM 460 CB ALA A 34 -1.781 2.446 6.983 1.00 0.00 C ATOM 0 H ALA A 34 -2.804 4.711 7.901 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.407 1.951 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.044 1.644 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.712 2.105 6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.406 3.310 6.435 1.00 0.00 H new ATOM 466 N ARG A 35 -0.119 2.332 9.810 1.00 0.00 N ATOM 467 CA ARG A 35 1.108 2.616 10.535 1.00 0.00 C ATOM 468 C ARG A 35 2.132 1.504 10.302 1.00 0.00 C ATOM 469 O ARG A 35 1.969 0.390 10.797 1.00 0.00 O ATOM 470 CB ARG A 35 0.843 2.748 12.036 1.00 0.00 C ATOM 471 CG ARG A 35 0.107 4.053 12.350 1.00 0.00 C ATOM 472 CD ARG A 35 0.903 5.263 11.857 1.00 0.00 C ATOM 473 NE ARG A 35 0.447 6.487 12.554 1.00 0.00 N ATOM 474 CZ ARG A 35 0.830 6.834 13.791 1.00 0.00 C ATOM 475 NH1 ARG A 35 1.676 6.052 14.474 1.00 0.00 N ATOM 476 NH2 ARG A 35 0.365 7.962 14.344 1.00 0.00 N ATOM 0 H ARG A 35 -0.425 1.360 9.855 1.00 0.00 H new ATOM 0 HA ARG A 35 1.502 3.562 10.162 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.251 1.900 12.380 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.787 2.719 12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.876 4.043 11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.056 4.133 13.425 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.967 5.107 12.037 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.776 5.379 10.781 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.199 7.105 12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.029 5.193 14.053 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.967 6.316 15.415 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.280 8.557 13.824 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.656 8.226 15.285 1.00 0.00 H new ATOM 490 N THR A 36 3.166 1.845 9.546 1.00 0.00 N ATOM 491 CA THR A 36 4.217 0.889 9.241 1.00 0.00 C ATOM 492 C THR A 36 5.222 0.815 10.392 1.00 0.00 C ATOM 493 O THR A 36 5.457 1.807 11.081 1.00 0.00 O ATOM 494 CB THR A 36 4.849 1.291 7.907 1.00 0.00 C ATOM 495 OG1 THR A 36 4.148 0.513 6.941 1.00 0.00 O ATOM 496 CG2 THR A 36 6.300 0.822 7.782 1.00 0.00 C ATOM 0 H THR A 36 3.298 2.770 9.136 1.00 0.00 H new ATOM 0 HA THR A 36 3.816 -0.119 9.137 1.00 0.00 H new ATOM 0 HB THR A 36 4.807 2.375 7.798 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.460 1.065 6.513 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.701 1.133 6.817 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.895 1.263 8.582 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.339 -0.265 7.858 1.00 0.00 H new ATOM 504 N SER A 37 5.789 -0.369 10.566 1.00 0.00 N ATOM 505 CA SER A 37 6.764 -0.586 11.622 1.00 0.00 C ATOM 506 C SER A 37 7.674 -1.762 11.261 1.00 0.00 C ATOM 507 O SER A 37 7.455 -2.882 11.719 1.00 0.00 O ATOM 508 CB SER A 37 6.075 -0.839 12.964 1.00 0.00 C ATOM 509 OG SER A 37 4.887 -0.064 13.109 1.00 0.00 O ATOM 0 H SER A 37 5.592 -1.190 9.993 1.00 0.00 H new ATOM 0 HA SER A 37 7.369 0.315 11.720 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.830 -1.898 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.763 -0.602 13.775 1.00 0.00 H new ATOM 0 HG SER A 37 4.476 -0.255 13.978 1.00 0.00 H new ATOM 515 N GLY A 38 8.674 -1.466 10.445 1.00 0.00 N ATOM 516 CA GLY A 38 9.618 -2.485 10.018 1.00 0.00 C ATOM 517 C GLY A 38 10.338 -2.063 8.736 1.00 0.00 C ATOM 518 O GLY A 38 10.796 -0.927 8.622 1.00 0.00 O ATOM 0 H GLY A 38 8.852 -0.535 10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.348 -2.663 10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.093 -3.425 9.852 1.00 0.00 H new ATOM 522 N ARG A 39 10.415 -3.001 7.803 1.00 0.00 N ATOM 523 CA ARG A 39 11.071 -2.740 6.533 1.00 0.00 C ATOM 524 C ARG A 39 10.033 -2.596 5.418 1.00 0.00 C ATOM 525 O ARG A 39 10.157 -1.726 4.558 1.00 0.00 O ATOM 526 CB ARG A 39 12.042 -3.867 6.173 1.00 0.00 C ATOM 527 CG ARG A 39 13.390 -3.673 6.871 1.00 0.00 C ATOM 528 CD ARG A 39 14.469 -4.550 6.233 1.00 0.00 C ATOM 529 NE ARG A 39 14.954 -5.548 7.212 1.00 0.00 N ATOM 530 CZ ARG A 39 16.141 -6.165 7.130 1.00 0.00 C ATOM 531 NH1 ARG A 39 16.970 -5.892 6.114 1.00 0.00 N ATOM 532 NH2 ARG A 39 16.498 -7.057 8.065 1.00 0.00 N ATOM 0 H ARG A 39 10.034 -3.942 7.901 1.00 0.00 H new ATOM 0 HA ARG A 39 11.631 -1.811 6.635 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.614 -4.827 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.188 -3.895 5.093 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.686 -2.626 6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.295 -3.919 7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.066 -5.055 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.298 -3.930 5.892 1.00 0.00 H new ATOM 0 HE ARG A 39 14.347 -5.781 7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.698 -5.214 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.873 -6.362 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.866 -7.266 8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.401 -7.527 8.003 1.00 0.00 H new ATOM 546 N VAL A 40 9.031 -3.462 5.470 1.00 0.00 N ATOM 547 CA VAL A 40 7.972 -3.442 4.476 1.00 0.00 C ATOM 548 C VAL A 40 6.806 -2.599 4.996 1.00 0.00 C ATOM 549 O VAL A 40 6.603 -2.492 6.205 1.00 0.00 O ATOM 550 CB VAL A 40 7.563 -4.872 4.119 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.391 -4.878 3.135 1.00 0.00 C ATOM 552 CG2 VAL A 40 8.750 -5.660 3.562 1.00 0.00 C ATOM 0 H VAL A 40 8.931 -4.182 6.185 1.00 0.00 H new ATOM 0 HA VAL A 40 8.322 -2.978 3.554 1.00 0.00 H new ATOM 0 HB VAL A 40 7.235 -5.364 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.120 -5.907 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.536 -4.372 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.681 -4.359 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.431 -6.673 3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.123 -5.169 2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.543 -5.700 4.309 1.00 0.00 H new ATOM 562 N ALA A 41 6.071 -2.020 4.058 1.00 0.00 N ATOM 563 CA ALA A 41 4.931 -1.190 4.406 1.00 0.00 C ATOM 564 C ALA A 41 3.770 -1.501 3.460 1.00 0.00 C ATOM 565 O ALA A 41 3.985 -1.802 2.286 1.00 0.00 O ATOM 566 CB ALA A 41 5.341 0.284 4.361 1.00 0.00 C ATOM 0 H ALA A 41 6.243 -2.110 3.057 1.00 0.00 H new ATOM 0 HA ALA A 41 4.595 -1.405 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.486 0.908 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.148 0.459 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.681 0.537 3.357 1.00 0.00 H new ATOM 572 N VAL A 42 2.566 -1.420 4.005 1.00 0.00 N ATOM 573 CA VAL A 42 1.371 -1.689 3.224 1.00 0.00 C ATOM 574 C VAL A 42 1.128 -0.531 2.254 1.00 0.00 C ATOM 575 O VAL A 42 0.383 0.397 2.565 1.00 0.00 O ATOM 576 CB VAL A 42 0.184 -1.948 4.155 1.00 0.00 C ATOM 577 CG1 VAL A 42 -1.070 -2.310 3.357 1.00 0.00 C ATOM 578 CG2 VAL A 42 0.517 -3.037 5.177 1.00 0.00 C ATOM 0 H VAL A 42 2.392 -1.172 4.979 1.00 0.00 H new ATOM 0 HA VAL A 42 1.501 -2.591 2.626 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.021 -1.027 4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.898 -2.489 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.324 -1.489 2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.882 -3.210 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.343 -3.202 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.761 -3.963 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.371 -2.723 5.778 1.00 0.00 H new ATOM 588 N GLU A 43 1.771 -0.623 1.100 1.00 0.00 N ATOM 589 CA GLU A 43 1.634 0.406 0.083 1.00 0.00 C ATOM 590 C GLU A 43 0.198 0.933 0.051 1.00 0.00 C ATOM 591 O GLU A 43 -0.047 2.097 0.363 1.00 0.00 O ATOM 592 CB GLU A 43 2.056 -0.121 -1.290 1.00 0.00 C ATOM 593 CG GLU A 43 2.342 1.031 -2.256 1.00 0.00 C ATOM 594 CD GLU A 43 1.060 1.493 -2.953 1.00 0.00 C ATOM 595 OE1 GLU A 43 0.251 2.158 -2.270 1.00 0.00 O ATOM 596 OE2 GLU A 43 0.919 1.172 -4.152 1.00 0.00 O ATOM 0 H GLU A 43 2.388 -1.394 0.846 1.00 0.00 H new ATOM 0 HA GLU A 43 2.297 1.232 0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.945 -0.743 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.269 -0.755 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.785 1.865 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.071 0.713 -3.001 1.00 0.00 H new ATOM 603 N GLU A 44 -0.714 0.051 -0.330 1.00 0.00 N ATOM 604 CA GLU A 44 -2.119 0.412 -0.407 1.00 0.00 C ATOM 605 C GLU A 44 -2.990 -0.845 -0.432 1.00 0.00 C ATOM 606 O GLU A 44 -2.697 -1.793 -1.159 1.00 0.00 O ATOM 607 CB GLU A 44 -2.392 1.293 -1.628 1.00 0.00 C ATOM 608 CG GLU A 44 -3.885 1.598 -1.761 1.00 0.00 C ATOM 609 CD GLU A 44 -4.207 3.001 -1.244 1.00 0.00 C ATOM 610 OE1 GLU A 44 -4.123 3.185 -0.011 1.00 0.00 O ATOM 611 OE2 GLU A 44 -4.530 3.859 -2.095 1.00 0.00 O ATOM 0 H GLU A 44 -0.507 -0.914 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.375 0.989 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.833 2.225 -1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.038 0.792 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.185 1.514 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.462 0.860 -1.203 1.00 0.00 H new ATOM 618 N VAL A 45 -4.044 -0.812 0.371 1.00 0.00 N ATOM 619 CA VAL A 45 -4.960 -1.938 0.450 1.00 0.00 C ATOM 620 C VAL A 45 -6.365 -1.474 0.062 1.00 0.00 C ATOM 621 O VAL A 45 -7.028 -0.781 0.833 1.00 0.00 O ATOM 622 CB VAL A 45 -4.900 -2.564 1.844 1.00 0.00 C ATOM 623 CG1 VAL A 45 -6.158 -3.387 2.130 1.00 0.00 C ATOM 624 CG2 VAL A 45 -3.639 -3.414 2.010 1.00 0.00 C ATOM 0 H VAL A 45 -4.284 -0.024 0.972 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.669 -2.718 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.856 -1.755 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.090 -3.821 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.035 -2.742 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.246 -4.185 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.621 -3.847 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.638 -4.213 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.757 -2.788 1.870 1.00 0.00 H new ATOM 634 N ASP A 46 -6.778 -1.874 -1.131 1.00 0.00 N ATOM 635 CA ASP A 46 -8.093 -1.508 -1.630 1.00 0.00 C ATOM 636 C ASP A 46 -9.119 -1.650 -0.503 1.00 0.00 C ATOM 637 O ASP A 46 -9.479 -2.763 -0.124 1.00 0.00 O ATOM 638 CB ASP A 46 -8.521 -2.425 -2.778 1.00 0.00 C ATOM 639 CG ASP A 46 -9.356 -1.750 -3.867 1.00 0.00 C ATOM 640 OD1 ASP A 46 -9.460 -0.505 -3.813 1.00 0.00 O ATOM 641 OD2 ASP A 46 -9.873 -2.493 -4.729 1.00 0.00 O ATOM 0 H ASP A 46 -6.225 -2.448 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.044 -0.480 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.628 -2.849 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.093 -3.256 -2.365 1.00 0.00 H new ATOM 646 N GLU A 47 -9.560 -0.506 -0.001 1.00 0.00 N ATOM 647 CA GLU A 47 -10.537 -0.489 1.075 1.00 0.00 C ATOM 648 C GLU A 47 -11.750 -1.344 0.703 1.00 0.00 C ATOM 649 O GLU A 47 -12.283 -2.069 1.542 1.00 0.00 O ATOM 650 CB GLU A 47 -10.957 0.943 1.411 1.00 0.00 C ATOM 651 CG GLU A 47 -11.393 1.696 0.152 1.00 0.00 C ATOM 652 CD GLU A 47 -12.029 3.041 0.510 1.00 0.00 C ATOM 653 OE1 GLU A 47 -11.288 3.896 1.041 1.00 0.00 O ATOM 654 OE2 GLU A 47 -13.242 3.183 0.245 1.00 0.00 O ATOM 0 H GLU A 47 -9.259 0.415 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.076 -0.915 1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.775 0.926 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.127 1.468 1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.531 1.858 -0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.105 1.091 -0.410 1.00 0.00 H new ATOM 661 N GLU A 48 -12.151 -1.231 -0.554 1.00 0.00 N ATOM 662 CA GLU A 48 -13.291 -1.984 -1.047 1.00 0.00 C ATOM 663 C GLU A 48 -13.098 -3.478 -0.776 1.00 0.00 C ATOM 664 O GLU A 48 -14.068 -4.206 -0.575 1.00 0.00 O ATOM 665 CB GLU A 48 -13.519 -1.722 -2.537 1.00 0.00 C ATOM 666 CG GLU A 48 -14.110 -0.330 -2.765 1.00 0.00 C ATOM 667 CD GLU A 48 -15.587 -0.418 -3.154 1.00 0.00 C ATOM 668 OE1 GLU A 48 -15.874 -1.136 -4.136 1.00 0.00 O ATOM 669 OE2 GLU A 48 -16.397 0.234 -2.460 1.00 0.00 O ATOM 0 H GLU A 48 -11.706 -0.629 -1.247 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.180 -1.650 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.575 -1.813 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.191 -2.477 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.004 0.267 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.553 0.181 -3.550 1.00 0.00 H new ATOM 676 N GLY A 49 -11.839 -3.889 -0.780 1.00 0.00 N ATOM 677 CA GLY A 49 -11.506 -5.282 -0.537 1.00 0.00 C ATOM 678 C GLY A 49 -11.434 -6.066 -1.849 1.00 0.00 C ATOM 679 O GLY A 49 -12.384 -6.755 -2.217 1.00 0.00 O ATOM 0 H GLY A 49 -11.037 -3.282 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.549 -5.346 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.254 -5.729 0.118 1.00 0.00 H new ATOM 683 N LYS A 50 -10.299 -5.934 -2.519 1.00 0.00 N ATOM 684 CA LYS A 50 -10.091 -6.621 -3.783 1.00 0.00 C ATOM 685 C LYS A 50 -8.658 -7.154 -3.838 1.00 0.00 C ATOM 686 O LYS A 50 -8.444 -8.345 -4.060 1.00 0.00 O ATOM 687 CB LYS A 50 -10.453 -5.707 -4.955 1.00 0.00 C ATOM 688 CG LYS A 50 -11.968 -5.524 -5.061 1.00 0.00 C ATOM 689 CD LYS A 50 -12.375 -5.121 -6.480 1.00 0.00 C ATOM 690 CE LYS A 50 -12.608 -3.612 -6.576 1.00 0.00 C ATOM 691 NZ LYS A 50 -13.638 -3.311 -7.595 1.00 0.00 N ATOM 0 H LYS A 50 -9.513 -5.361 -2.211 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.755 -7.482 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.974 -4.736 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.069 -6.130 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.470 -6.451 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.296 -4.761 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.597 -5.418 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.283 -5.652 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.922 -3.224 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.676 -3.110 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.784 -2.283 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.323 -3.664 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.531 -3.775 -7.333 1.00 0.00 H new ATOM 705 N PHE A 51 -7.714 -6.247 -3.633 1.00 0.00 N ATOM 706 CA PHE A 51 -6.308 -6.612 -3.657 1.00 0.00 C ATOM 707 C PHE A 51 -5.525 -5.847 -2.588 1.00 0.00 C ATOM 708 O PHE A 51 -5.931 -4.763 -2.172 1.00 0.00 O ATOM 709 CB PHE A 51 -5.770 -6.229 -5.037 1.00 0.00 C ATOM 710 CG PHE A 51 -5.649 -4.721 -5.262 1.00 0.00 C ATOM 711 CD1 PHE A 51 -4.554 -4.052 -4.812 1.00 0.00 C ATOM 712 CD2 PHE A 51 -6.637 -4.049 -5.911 1.00 0.00 C ATOM 713 CE1 PHE A 51 -4.442 -2.652 -5.020 1.00 0.00 C ATOM 714 CE2 PHE A 51 -6.525 -2.648 -6.120 1.00 0.00 C ATOM 715 CZ PHE A 51 -5.430 -1.980 -5.670 1.00 0.00 C ATOM 0 H PHE A 51 -7.895 -5.260 -3.450 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.197 -7.678 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.790 -6.686 -5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -6.426 -6.648 -5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.769 -4.586 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.507 -4.580 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.572 -2.121 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.309 -2.114 -6.636 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.344 -0.915 -5.829 1.00 0.00 H new ATOM 725 N VAL A 52 -4.416 -6.443 -2.173 1.00 0.00 N ATOM 726 CA VAL A 52 -3.573 -5.831 -1.160 1.00 0.00 C ATOM 727 C VAL A 52 -2.195 -5.540 -1.758 1.00 0.00 C ATOM 728 O VAL A 52 -1.464 -6.460 -2.120 1.00 0.00 O ATOM 729 CB VAL A 52 -3.509 -6.727 0.079 1.00 0.00 C ATOM 730 CG1 VAL A 52 -2.396 -6.275 1.026 1.00 0.00 C ATOM 731 CG2 VAL A 52 -4.859 -6.765 0.798 1.00 0.00 C ATOM 0 H VAL A 52 -4.082 -7.342 -2.520 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.995 -4.880 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.277 -7.739 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.372 -6.929 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.437 -6.324 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.584 -5.250 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.786 -7.409 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.134 -5.757 1.109 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.620 -7.156 0.123 1.00 0.00 H new ATOM 741 N ARG A 53 -1.882 -4.255 -1.843 1.00 0.00 N ATOM 742 CA ARG A 53 -0.605 -3.830 -2.391 1.00 0.00 C ATOM 743 C ARG A 53 0.394 -3.564 -1.264 1.00 0.00 C ATOM 744 O ARG A 53 0.145 -2.734 -0.391 1.00 0.00 O ATOM 745 CB ARG A 53 -0.761 -2.563 -3.234 1.00 0.00 C ATOM 746 CG ARG A 53 -0.507 -2.855 -4.715 1.00 0.00 C ATOM 747 CD ARG A 53 0.527 -1.887 -5.294 1.00 0.00 C ATOM 748 NE ARG A 53 0.340 -1.764 -6.757 1.00 0.00 N ATOM 749 CZ ARG A 53 -0.728 -1.196 -7.333 1.00 0.00 C ATOM 750 NH1 ARG A 53 -1.712 -0.695 -6.573 1.00 0.00 N ATOM 751 NH2 ARG A 53 -0.813 -1.128 -8.668 1.00 0.00 N ATOM 0 H ARG A 53 -2.491 -3.494 -1.541 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.234 -4.633 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.765 -2.158 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.064 -1.801 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.157 -3.880 -4.832 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.441 -2.771 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.426 -0.909 -4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.534 -2.244 -5.076 1.00 0.00 H new ATOM 0 HE ARG A 53 1.070 -2.135 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.648 -0.746 -5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.525 -0.263 -7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.064 -1.509 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.626 -0.695 -9.106 1.00 0.00 H new ATOM 765 N LEU A 54 1.505 -4.285 -1.318 1.00 0.00 N ATOM 766 CA LEU A 54 2.543 -4.137 -0.312 1.00 0.00 C ATOM 767 C LEU A 54 3.839 -3.683 -0.986 1.00 0.00 C ATOM 768 O LEU A 54 4.257 -4.261 -1.989 1.00 0.00 O ATOM 769 CB LEU A 54 2.690 -5.426 0.500 1.00 0.00 C ATOM 770 CG LEU A 54 1.386 -6.096 0.937 1.00 0.00 C ATOM 771 CD1 LEU A 54 1.612 -7.572 1.269 1.00 0.00 C ATOM 772 CD2 LEU A 54 0.743 -5.338 2.101 1.00 0.00 C ATOM 0 H LEU A 54 1.709 -4.973 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 54 2.270 -3.365 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.262 -6.141 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.278 -5.206 1.391 1.00 0.00 H new ATOM 0 HG LEU A 54 0.686 -6.058 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.669 -8.024 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.992 -8.089 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.336 -7.656 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.182 -5.835 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.429 -5.323 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.524 -4.316 1.793 1.00 0.00 H new ATOM 784 N ARG A 55 4.440 -2.653 -0.408 1.00 0.00 N ATOM 785 CA ARG A 55 5.680 -2.116 -0.941 1.00 0.00 C ATOM 786 C ARG A 55 6.758 -2.092 0.145 1.00 0.00 C ATOM 787 O ARG A 55 6.457 -1.883 1.319 1.00 0.00 O ATOM 788 CB ARG A 55 5.479 -0.698 -1.480 1.00 0.00 C ATOM 789 CG ARG A 55 6.822 -0.034 -1.790 1.00 0.00 C ATOM 790 CD ARG A 55 6.669 1.030 -2.879 1.00 0.00 C ATOM 791 NE ARG A 55 7.213 2.322 -2.404 1.00 0.00 N ATOM 792 CZ ARG A 55 8.516 2.637 -2.412 1.00 0.00 C ATOM 793 NH1 ARG A 55 9.415 1.757 -2.870 1.00 0.00 N ATOM 794 NH2 ARG A 55 8.918 3.833 -1.961 1.00 0.00 N ATOM 0 H ARG A 55 4.091 -2.177 0.424 1.00 0.00 H new ATOM 0 HA ARG A 55 5.997 -2.763 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.869 -0.731 -2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.934 -0.101 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.224 0.422 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.539 -0.789 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.192 0.716 -3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.618 1.144 -3.143 1.00 0.00 H new ATOM 0 HE ARG A 55 6.555 3.016 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.109 0.847 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.406 1.997 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.233 4.503 -1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.909 4.073 -1.967 1.00 0.00 H new ATOM 808 N ASN A 56 7.992 -2.310 -0.285 1.00 0.00 N ATOM 809 CA ASN A 56 9.116 -2.317 0.635 1.00 0.00 C ATOM 810 C ASN A 56 9.780 -0.939 0.632 1.00 0.00 C ATOM 811 O ASN A 56 9.983 -0.346 -0.427 1.00 0.00 O ATOM 812 CB ASN A 56 10.165 -3.349 0.217 1.00 0.00 C ATOM 813 CG ASN A 56 11.007 -3.792 1.415 1.00 0.00 C ATOM 814 OD1 ASN A 56 10.988 -3.191 2.476 1.00 0.00 O ATOM 815 ND2 ASN A 56 11.743 -4.876 1.187 1.00 0.00 N ATOM 0 H ASN A 56 8.238 -2.483 -1.260 1.00 0.00 H new ATOM 0 HA ASN A 56 8.739 -2.569 1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.672 -4.215 -0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.813 -2.924 -0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.339 -5.252 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.712 -5.331 0.275 1.00 0.00 H new ATOM 822 N LYS A 57 10.100 -0.469 1.829 1.00 0.00 N ATOM 823 CA LYS A 57 10.738 0.828 1.977 1.00 0.00 C ATOM 824 C LYS A 57 12.219 0.629 2.305 1.00 0.00 C ATOM 825 O LYS A 57 13.035 1.521 2.075 1.00 0.00 O ATOM 826 CB LYS A 57 9.989 1.679 3.005 1.00 0.00 C ATOM 827 CG LYS A 57 8.482 1.659 2.740 1.00 0.00 C ATOM 828 CD LYS A 57 8.059 2.860 1.892 1.00 0.00 C ATOM 829 CE LYS A 57 6.977 2.466 0.884 1.00 0.00 C ATOM 830 NZ LYS A 57 5.793 3.342 1.026 1.00 0.00 N ATOM 0 H LYS A 57 9.929 -0.963 2.705 1.00 0.00 H new ATOM 0 HA LYS A 57 10.691 1.385 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.190 1.304 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.355 2.705 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.211 0.735 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.942 1.670 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.686 3.654 2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.925 3.260 1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.372 2.539 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.688 1.426 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.068 3.061 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.408 3.252 1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.070 4.330 0.855 1.00 0.00 H new ATOM 844 N SER A 58 12.522 -0.546 2.837 1.00 0.00 N ATOM 845 CA SER A 58 13.890 -0.873 3.199 1.00 0.00 C ATOM 846 C SER A 58 14.768 -0.913 1.946 1.00 0.00 C ATOM 847 O SER A 58 14.261 -1.045 0.833 1.00 0.00 O ATOM 848 CB SER A 58 13.960 -2.211 3.938 1.00 0.00 C ATOM 849 OG SER A 58 13.750 -3.316 3.064 1.00 0.00 O ATOM 0 H SER A 58 11.843 -1.283 3.026 1.00 0.00 H new ATOM 0 HA SER A 58 14.260 -0.098 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.933 -2.309 4.419 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.211 -2.227 4.729 1.00 0.00 H new ATOM 0 HG SER A 58 14.565 -3.859 3.022 1.00 0.00 H new ATOM 855 N ASN A 59 16.069 -0.797 2.170 1.00 0.00 N ATOM 856 CA ASN A 59 17.021 -0.818 1.073 1.00 0.00 C ATOM 857 C ASN A 59 17.423 -2.265 0.779 1.00 0.00 C ATOM 858 O ASN A 59 17.863 -2.579 -0.325 1.00 0.00 O ATOM 859 CB ASN A 59 18.289 -0.039 1.429 1.00 0.00 C ATOM 860 CG ASN A 59 19.409 -0.326 0.427 1.00 0.00 C ATOM 861 OD1 ASN A 59 20.146 -1.391 0.730 1.00 0.00 O flip ATOM 862 ND2 ASN A 59 19.592 0.372 -0.557 1.00 0.00 N flip ATOM 0 H ASN A 59 16.486 -0.688 3.095 1.00 0.00 H new ATOM 0 HA ASN A 59 16.546 -0.358 0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.072 1.029 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 59 18.616 -0.309 2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 59 18.989 1.176 -0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 59 20.348 0.151 -1.205 1.00 0.00 H new ATOM 869 N GLU A 60 17.257 -3.108 1.788 1.00 0.00 N ATOM 870 CA GLU A 60 17.596 -4.514 1.653 1.00 0.00 C ATOM 871 C GLU A 60 16.330 -5.348 1.445 1.00 0.00 C ATOM 872 O GLU A 60 15.318 -5.122 2.107 1.00 0.00 O ATOM 873 CB GLU A 60 18.385 -5.007 2.867 1.00 0.00 C ATOM 874 CG GLU A 60 19.891 -4.863 2.639 1.00 0.00 C ATOM 875 CD GLU A 60 20.357 -5.753 1.485 1.00 0.00 C ATOM 876 OE1 GLU A 60 19.946 -6.933 1.476 1.00 0.00 O ATOM 877 OE2 GLU A 60 21.116 -5.233 0.638 1.00 0.00 O ATOM 0 H GLU A 60 16.892 -2.844 2.703 1.00 0.00 H new ATOM 0 HA GLU A 60 18.233 -4.632 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.092 -4.440 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.142 -6.051 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 60 20.132 -3.823 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.428 -5.130 3.549 1.00 0.00 H new ATOM 884 N ASP A 61 16.428 -6.294 0.523 1.00 0.00 N ATOM 885 CA ASP A 61 15.304 -7.163 0.219 1.00 0.00 C ATOM 886 C ASP A 61 14.781 -7.785 1.516 1.00 0.00 C ATOM 887 O ASP A 61 15.553 -8.336 2.300 1.00 0.00 O ATOM 888 CB ASP A 61 15.722 -8.300 -0.715 1.00 0.00 C ATOM 889 CG ASP A 61 16.603 -9.373 -0.073 1.00 0.00 C ATOM 890 OD1 ASP A 61 17.838 -9.176 -0.085 1.00 0.00 O ATOM 891 OD2 ASP A 61 16.023 -10.367 0.415 1.00 0.00 O ATOM 0 H ASP A 61 17.269 -6.478 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 61 14.536 -6.562 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.824 -8.776 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.255 -7.874 -1.565 1.00 0.00 H new ATOM 896 N GLN A 62 13.474 -7.677 1.702 1.00 0.00 N ATOM 897 CA GLN A 62 12.840 -8.222 2.890 1.00 0.00 C ATOM 898 C GLN A 62 12.206 -9.579 2.578 1.00 0.00 C ATOM 899 O GLN A 62 11.264 -9.662 1.791 1.00 0.00 O ATOM 900 CB GLN A 62 11.802 -7.248 3.453 1.00 0.00 C ATOM 901 CG GLN A 62 11.043 -7.874 4.625 1.00 0.00 C ATOM 902 CD GLN A 62 11.995 -8.231 5.768 1.00 0.00 C ATOM 903 OE1 GLN A 62 12.455 -7.383 6.515 1.00 0.00 O ATOM 904 NE2 GLN A 62 12.265 -9.530 5.861 1.00 0.00 N ATOM 0 H GLN A 62 12.837 -7.220 1.050 1.00 0.00 H new ATOM 0 HA GLN A 62 13.605 -8.367 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.296 -6.334 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.099 -6.966 2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.283 -7.179 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.522 -8.770 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.846 -10.186 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.891 -9.870 6.591 1.00 0.00 H new ATOM 913 N SER A 63 12.747 -10.609 3.212 1.00 0.00 N ATOM 914 CA SER A 63 12.247 -11.958 3.012 1.00 0.00 C ATOM 915 C SER A 63 10.939 -12.151 3.783 1.00 0.00 C ATOM 916 O SER A 63 10.905 -11.997 5.003 1.00 0.00 O ATOM 917 CB SER A 63 13.279 -12.999 3.449 1.00 0.00 C ATOM 918 OG SER A 63 12.797 -14.330 3.285 1.00 0.00 O ATOM 0 H SER A 63 13.527 -10.536 3.865 1.00 0.00 H new ATOM 0 HA SER A 63 12.058 -12.098 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.192 -12.870 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.540 -12.834 4.494 1.00 0.00 H new ATOM 0 HG SER A 63 13.485 -14.965 3.573 1.00 0.00 H new ATOM 924 N MET A 64 9.894 -12.484 3.040 1.00 0.00 N ATOM 925 CA MET A 64 8.588 -12.699 3.638 1.00 0.00 C ATOM 926 C MET A 64 8.298 -14.193 3.800 1.00 0.00 C ATOM 927 O MET A 64 7.198 -14.652 3.497 1.00 0.00 O ATOM 928 CB MET A 64 7.511 -12.062 2.757 1.00 0.00 C ATOM 929 CG MET A 64 8.001 -10.741 2.162 1.00 0.00 C ATOM 930 SD MET A 64 6.677 -9.948 1.264 1.00 0.00 S ATOM 931 CE MET A 64 5.670 -9.389 2.627 1.00 0.00 C ATOM 0 H MET A 64 9.926 -12.610 2.028 1.00 0.00 H new ATOM 0 HA MET A 64 8.581 -12.238 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.240 -12.748 1.955 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.610 -11.888 3.346 1.00 0.00 H new ATOM 0 HG2 MET A 64 8.357 -10.085 2.956 1.00 0.00 H new ATOM 0 HG3 MET A 64 8.845 -10.923 1.497 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.821 -8.822 2.244 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.308 -10.250 3.189 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.265 -8.753 3.282 1.00 0.00 H new ATOM 941 N GLY A 65 9.305 -14.910 4.277 1.00 0.00 N ATOM 942 CA GLY A 65 9.172 -16.342 4.483 1.00 0.00 C ATOM 943 C GLY A 65 8.381 -16.642 5.758 1.00 0.00 C ATOM 944 O GLY A 65 8.837 -16.341 6.860 1.00 0.00 O ATOM 0 H GLY A 65 10.216 -14.526 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.671 -16.791 3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.160 -16.797 4.549 1.00 0.00 H new ATOM 948 N ASN A 66 7.210 -17.231 5.565 1.00 0.00 N ATOM 949 CA ASN A 66 6.352 -17.575 6.686 1.00 0.00 C ATOM 950 C ASN A 66 5.595 -16.326 7.145 1.00 0.00 C ATOM 951 O ASN A 66 4.934 -16.343 8.182 1.00 0.00 O ATOM 952 CB ASN A 66 7.172 -18.092 7.869 1.00 0.00 C ATOM 953 CG ASN A 66 6.638 -19.440 8.358 1.00 0.00 C ATOM 954 OD1 ASN A 66 6.272 -19.611 9.509 1.00 0.00 O ATOM 955 ND2 ASN A 66 6.613 -20.384 7.422 1.00 0.00 N ATOM 0 H ASN A 66 6.835 -17.479 4.649 1.00 0.00 H new ATOM 0 HA ASN A 66 5.663 -18.353 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 66 8.216 -18.195 7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.140 -17.367 8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.273 -21.318 7.649 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.934 -20.174 6.477 1.00 0.00 H new ATOM 962 N TRP A 67 5.718 -15.274 6.350 1.00 0.00 N ATOM 963 CA TRP A 67 5.054 -14.019 6.662 1.00 0.00 C ATOM 964 C TRP A 67 3.550 -14.219 6.465 1.00 0.00 C ATOM 965 O TRP A 67 3.122 -15.220 5.892 1.00 0.00 O ATOM 966 CB TRP A 67 5.620 -12.875 5.819 1.00 0.00 C ATOM 967 CG TRP A 67 6.956 -12.330 6.328 1.00 0.00 C ATOM 968 CD1 TRP A 67 7.975 -13.013 6.867 1.00 0.00 C ATOM 969 CD2 TRP A 67 7.380 -10.950 6.323 1.00 0.00 C ATOM 970 NE1 TRP A 67 9.020 -12.179 7.208 1.00 0.00 N ATOM 971 CE2 TRP A 67 8.646 -10.884 6.867 1.00 0.00 C ATOM 972 CE3 TRP A 67 6.715 -9.796 5.873 1.00 0.00 C ATOM 973 CZ2 TRP A 67 9.357 -9.687 7.013 1.00 0.00 C ATOM 974 CZ3 TRP A 67 7.438 -8.607 6.026 1.00 0.00 C ATOM 975 CH2 TRP A 67 8.714 -8.524 6.572 1.00 0.00 C ATOM 0 H TRP A 67 6.267 -15.264 5.491 1.00 0.00 H new ATOM 0 HA TRP A 67 5.235 -13.734 7.698 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.748 -13.221 4.793 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.894 -12.063 5.793 1.00 0.00 H new ATOM 0 HD1 TRP A 67 7.978 -14.083 7.016 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.904 -12.461 7.632 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.725 -9.824 5.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.348 -9.662 7.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.972 -7.690 5.697 1.00 0.00 H new ATOM 0 HH2 TRP A 67 9.207 -7.567 6.656 1.00 0.00 H new ATOM 986 N GLN A 68 2.788 -13.249 6.950 1.00 0.00 N ATOM 987 CA GLN A 68 1.341 -13.306 6.834 1.00 0.00 C ATOM 988 C GLN A 68 0.762 -11.894 6.718 1.00 0.00 C ATOM 989 O GLN A 68 1.469 -10.910 6.930 1.00 0.00 O ATOM 990 CB GLN A 68 0.725 -14.055 8.018 1.00 0.00 C ATOM 991 CG GLN A 68 1.758 -14.962 8.690 1.00 0.00 C ATOM 992 CD GLN A 68 1.101 -15.854 9.745 1.00 0.00 C ATOM 993 OE1 GLN A 68 -0.111 -15.915 9.876 1.00 0.00 O ATOM 994 NE2 GLN A 68 1.965 -16.540 10.488 1.00 0.00 N ATOM 0 H GLN A 68 3.146 -12.420 7.424 1.00 0.00 H new ATOM 0 HA GLN A 68 1.090 -13.857 5.927 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.337 -13.340 8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.120 -14.652 7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.247 -15.582 7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.534 -14.354 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.967 -16.442 10.326 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.625 -17.164 11.220 1.00 0.00 H new ATOM 1003 N ILE A 69 -0.519 -11.840 6.382 1.00 0.00 N ATOM 1004 CA ILE A 69 -1.201 -10.566 6.235 1.00 0.00 C ATOM 1005 C ILE A 69 -2.587 -10.657 6.875 1.00 0.00 C ATOM 1006 O ILE A 69 -3.467 -11.347 6.362 1.00 0.00 O ATOM 1007 CB ILE A 69 -1.228 -10.139 4.766 1.00 0.00 C ATOM 1008 CG1 ILE A 69 0.012 -10.643 4.025 1.00 0.00 C ATOM 1009 CG2 ILE A 69 -1.396 -8.624 4.638 1.00 0.00 C ATOM 1010 CD1 ILE A 69 -0.028 -10.239 2.550 1.00 0.00 C ATOM 0 H ILE A 69 -1.102 -12.658 6.207 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.658 -9.781 6.761 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.095 -10.600 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.909 -10.237 4.493 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.073 -11.728 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.412 -8.347 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.332 -8.321 5.107 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.564 -8.123 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.865 -10.610 2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.913 -10.666 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.064 -9.152 2.471 1.00 0.00 H new ATOM 1022 N ARG A 70 -2.739 -9.952 7.986 1.00 0.00 N ATOM 1023 CA ARG A 70 -4.004 -9.945 8.701 1.00 0.00 C ATOM 1024 C ARG A 70 -5.001 -9.014 8.007 1.00 0.00 C ATOM 1025 O ARG A 70 -4.611 -8.000 7.430 1.00 0.00 O ATOM 1026 CB ARG A 70 -3.815 -9.490 10.149 1.00 0.00 C ATOM 1027 CG ARG A 70 -3.946 -10.670 11.115 1.00 0.00 C ATOM 1028 CD ARG A 70 -3.578 -10.254 12.541 1.00 0.00 C ATOM 1029 NE ARG A 70 -4.443 -10.959 13.513 1.00 0.00 N ATOM 1030 CZ ARG A 70 -4.403 -12.280 13.735 1.00 0.00 C ATOM 1031 NH1 ARG A 70 -3.540 -13.047 13.056 1.00 0.00 N ATOM 1032 NH2 ARG A 70 -5.226 -12.833 14.636 1.00 0.00 N ATOM 0 H ARG A 70 -2.007 -9.381 8.409 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.392 -10.964 8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.834 -9.028 10.264 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.556 -8.730 10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.968 -11.049 11.095 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.297 -11.484 10.791 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.531 -10.486 12.738 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.692 -9.176 12.655 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.112 -10.405 14.048 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.913 -12.626 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.509 -14.052 13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.883 -12.249 15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.196 -13.838 14.805 1.00 0.00 H new ATOM 1046 N ARG A 71 -6.268 -9.391 8.087 1.00 0.00 N ATOM 1047 CA ARG A 71 -7.324 -8.603 7.474 1.00 0.00 C ATOM 1048 C ARG A 71 -8.626 -8.754 8.263 1.00 0.00 C ATOM 1049 O ARG A 71 -9.157 -9.857 8.384 1.00 0.00 O ATOM 1050 CB ARG A 71 -7.561 -9.031 6.024 1.00 0.00 C ATOM 1051 CG ARG A 71 -8.878 -8.463 5.493 1.00 0.00 C ATOM 1052 CD ARG A 71 -8.867 -6.933 5.521 1.00 0.00 C ATOM 1053 NE ARG A 71 -8.570 -6.405 4.171 1.00 0.00 N ATOM 1054 CZ ARG A 71 -8.778 -5.134 3.799 1.00 0.00 C ATOM 1055 NH1 ARG A 71 -9.285 -4.255 4.673 1.00 0.00 N ATOM 1056 NH2 ARG A 71 -8.479 -4.744 2.553 1.00 0.00 N ATOM 0 H ARG A 71 -6.588 -10.232 8.567 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.008 -7.560 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.735 -8.688 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.578 -10.119 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.043 -8.810 4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.707 -8.835 6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.833 -6.560 5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.120 -6.579 6.231 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.183 -7.048 3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.513 -4.553 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.443 -3.288 4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.093 -5.414 1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.637 -3.777 2.269 1.00 0.00 H new ATOM 1070 N GLN A 72 -9.102 -7.631 8.779 1.00 0.00 N ATOM 1071 CA GLN A 72 -10.332 -7.625 9.552 1.00 0.00 C ATOM 1072 C GLN A 72 -11.311 -6.594 8.987 1.00 0.00 C ATOM 1073 O GLN A 72 -10.904 -5.509 8.574 1.00 0.00 O ATOM 1074 CB GLN A 72 -10.048 -7.358 11.032 1.00 0.00 C ATOM 1075 CG GLN A 72 -11.059 -8.082 11.924 1.00 0.00 C ATOM 1076 CD GLN A 72 -12.167 -7.131 12.381 1.00 0.00 C ATOM 1077 OE1 GLN A 72 -11.971 -5.936 12.533 1.00 0.00 O ATOM 1078 NE2 GLN A 72 -13.338 -7.726 12.591 1.00 0.00 N ATOM 0 H GLN A 72 -8.658 -6.718 8.677 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.790 -8.611 9.475 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.039 -7.689 11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -10.088 -6.286 11.226 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.495 -8.919 11.380 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.550 -8.498 12.794 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.433 -8.731 12.445 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -14.141 -7.177 12.898 1.00 0.00 H new ATOM 1087 N ASN A 73 -12.581 -6.968 8.986 1.00 0.00 N ATOM 1088 CA ASN A 73 -13.621 -6.089 8.478 1.00 0.00 C ATOM 1089 C ASN A 73 -14.865 -6.216 9.359 1.00 0.00 C ATOM 1090 O ASN A 73 -15.328 -7.323 9.630 1.00 0.00 O ATOM 1091 CB ASN A 73 -14.013 -6.468 7.049 1.00 0.00 C ATOM 1092 CG ASN A 73 -12.804 -6.991 6.269 1.00 0.00 C ATOM 1093 OD1 ASN A 73 -12.140 -6.267 5.544 1.00 0.00 O ATOM 1094 ND2 ASN A 73 -12.557 -8.283 6.458 1.00 0.00 N ATOM 0 H ASN A 73 -12.914 -7.869 9.329 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.235 -5.070 8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.793 -7.229 7.072 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.431 -5.599 6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.771 -8.727 5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.153 -8.831 7.079 1.00 0.00 H new ATOM 1146 N LEU A 78 -11.939 -12.507 10.961 1.00 0.00 N ATOM 1147 CA LEU A 78 -10.626 -11.967 10.653 1.00 0.00 C ATOM 1148 C LEU A 78 -9.812 -13.018 9.895 1.00 0.00 C ATOM 1149 O LEU A 78 -9.635 -14.136 10.375 1.00 0.00 O ATOM 1150 CB LEU A 78 -9.943 -11.461 11.925 1.00 0.00 C ATOM 1151 CG LEU A 78 -8.413 -11.435 11.900 1.00 0.00 C ATOM 1152 CD1 LEU A 78 -7.898 -10.425 10.873 1.00 0.00 C ATOM 1153 CD2 LEU A 78 -7.846 -11.173 13.297 1.00 0.00 C ATOM 0 HA LEU A 78 -10.715 -11.099 9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.300 -10.452 12.129 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -10.262 -12.086 12.759 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.060 -12.418 11.589 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.808 -10.427 10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.259 -10.698 9.881 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.260 -9.429 11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.757 -11.160 13.251 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.206 -10.211 13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.171 -11.962 13.975 1.00 0.00 H new ATOM 1165 N MET A 79 -9.339 -12.621 8.722 1.00 0.00 N ATOM 1166 CA MET A 79 -8.549 -13.515 7.893 1.00 0.00 C ATOM 1167 C MET A 79 -7.074 -13.109 7.901 1.00 0.00 C ATOM 1168 O MET A 79 -6.750 -11.937 8.086 1.00 0.00 O ATOM 1169 CB MET A 79 -9.079 -13.483 6.458 1.00 0.00 C ATOM 1170 CG MET A 79 -10.534 -13.955 6.401 1.00 0.00 C ATOM 1171 SD MET A 79 -11.596 -12.602 5.924 1.00 0.00 S ATOM 1172 CE MET A 79 -10.739 -12.035 4.465 1.00 0.00 C ATOM 0 H MET A 79 -9.488 -11.693 8.327 1.00 0.00 H new ATOM 0 HA MET A 79 -8.632 -14.524 8.298 1.00 0.00 H new ATOM 0 HB2 MET A 79 -9.006 -12.470 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 79 -8.461 -14.119 5.824 1.00 0.00 H new ATOM 0 HG2 MET A 79 -10.632 -14.774 5.688 1.00 0.00 H new ATOM 0 HG3 MET A 79 -10.838 -14.341 7.374 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.465 -11.753 3.703 1.00 0.00 H new ATOM 0 HE2 MET A 79 -10.124 -11.171 4.717 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.104 -12.834 4.083 1.00 0.00 H new ATOM 1182 N THR A 80 -6.219 -14.101 7.699 1.00 0.00 N ATOM 1183 CA THR A 80 -4.786 -13.862 7.681 1.00 0.00 C ATOM 1184 C THR A 80 -4.138 -14.592 6.502 1.00 0.00 C ATOM 1185 O THR A 80 -3.927 -15.803 6.558 1.00 0.00 O ATOM 1186 CB THR A 80 -4.220 -14.280 9.039 1.00 0.00 C ATOM 1187 OG1 THR A 80 -4.907 -13.450 9.972 1.00 0.00 O ATOM 1188 CG2 THR A 80 -2.750 -13.889 9.206 1.00 0.00 C ATOM 0 H THR A 80 -6.491 -15.072 7.546 1.00 0.00 H new ATOM 0 HA THR A 80 -4.563 -12.806 7.531 1.00 0.00 H new ATOM 0 HB THR A 80 -4.325 -15.358 9.159 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.724 -13.761 10.883 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.398 -14.209 10.187 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.155 -14.372 8.431 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.649 -12.807 9.119 1.00 0.00 H new ATOM 1196 N TYR A 81 -3.842 -13.825 5.463 1.00 0.00 N ATOM 1197 CA TYR A 81 -3.223 -14.384 4.274 1.00 0.00 C ATOM 1198 C TYR A 81 -1.757 -14.738 4.533 1.00 0.00 C ATOM 1199 O TYR A 81 -0.907 -13.853 4.617 1.00 0.00 O ATOM 1200 CB TYR A 81 -3.290 -13.287 3.209 1.00 0.00 C ATOM 1201 CG TYR A 81 -2.532 -13.622 1.922 1.00 0.00 C ATOM 1202 CD1 TYR A 81 -1.186 -13.338 1.821 1.00 0.00 C ATOM 1203 CD2 TYR A 81 -3.196 -14.207 0.863 1.00 0.00 C ATOM 1204 CE1 TYR A 81 -0.473 -13.653 0.610 1.00 0.00 C ATOM 1205 CE2 TYR A 81 -2.483 -14.522 -0.348 1.00 0.00 C ATOM 1206 CZ TYR A 81 -1.157 -14.229 -0.415 1.00 0.00 C ATOM 1207 OH TYR A 81 -0.484 -14.527 -1.558 1.00 0.00 O ATOM 0 H TYR A 81 -4.019 -12.821 5.420 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.735 -15.296 3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -4.335 -13.096 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.887 -12.364 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.667 -12.880 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.250 -14.429 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.581 -13.437 0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.990 -14.981 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.099 -14.935 -2.203 1.00 0.00 H new ATOM 1217 N ARG A 82 -1.506 -16.033 4.652 1.00 0.00 N ATOM 1218 CA ARG A 82 -0.158 -16.515 4.900 1.00 0.00 C ATOM 1219 C ARG A 82 0.626 -16.595 3.588 1.00 0.00 C ATOM 1220 O ARG A 82 0.077 -16.974 2.555 1.00 0.00 O ATOM 1221 CB ARG A 82 -0.179 -17.895 5.559 1.00 0.00 C ATOM 1222 CG ARG A 82 1.145 -18.184 6.269 1.00 0.00 C ATOM 1223 CD ARG A 82 0.906 -18.861 7.620 1.00 0.00 C ATOM 1224 NE ARG A 82 0.588 -20.293 7.419 1.00 0.00 N ATOM 1225 CZ ARG A 82 0.208 -21.123 8.400 1.00 0.00 C ATOM 1226 NH1 ARG A 82 0.096 -20.669 9.656 1.00 0.00 N ATOM 1227 NH2 ARG A 82 -0.061 -22.406 8.124 1.00 0.00 N ATOM 0 H ARG A 82 -2.214 -16.764 4.581 1.00 0.00 H new ATOM 0 HA ARG A 82 0.328 -15.811 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.999 -17.947 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.366 -18.659 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.766 -18.824 5.642 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.693 -17.254 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.791 -18.761 8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.087 -18.368 8.143 1.00 0.00 H new ATOM 0 HE ARG A 82 0.663 -20.671 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.300 -19.692 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.193 -21.301 10.403 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.024 -22.750 7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.350 -23.038 8.870 1.00 0.00 H new ATOM 1241 N PHE A 83 1.898 -16.233 3.673 1.00 0.00 N ATOM 1242 CA PHE A 83 2.763 -16.260 2.506 1.00 0.00 C ATOM 1243 C PHE A 83 3.506 -17.594 2.405 1.00 0.00 C ATOM 1244 O PHE A 83 3.494 -18.388 3.344 1.00 0.00 O ATOM 1245 CB PHE A 83 3.783 -15.133 2.680 1.00 0.00 C ATOM 1246 CG PHE A 83 3.314 -13.780 2.142 1.00 0.00 C ATOM 1247 CD1 PHE A 83 3.207 -13.582 0.801 1.00 0.00 C ATOM 1248 CD2 PHE A 83 3.003 -12.776 3.005 1.00 0.00 C ATOM 1249 CE1 PHE A 83 2.772 -12.326 0.301 1.00 0.00 C ATOM 1250 CE2 PHE A 83 2.568 -11.520 2.505 1.00 0.00 C ATOM 1251 CZ PHE A 83 2.461 -11.322 1.164 1.00 0.00 C ATOM 0 H PHE A 83 2.350 -15.920 4.532 1.00 0.00 H new ATOM 0 HA PHE A 83 2.170 -16.136 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.017 -15.030 3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.708 -15.413 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.453 -14.380 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.087 -12.934 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.688 -12.168 -0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.322 -10.722 3.190 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.129 -10.367 0.784 1.00 0.00 H new ATOM 1261 N PRO A 84 4.152 -17.803 1.227 1.00 0.00 N ATOM 1262 CA PRO A 84 4.899 -19.027 0.990 1.00 0.00 C ATOM 1263 C PRO A 84 6.224 -19.017 1.755 1.00 0.00 C ATOM 1264 O PRO A 84 6.780 -17.954 2.028 1.00 0.00 O ATOM 1265 CB PRO A 84 5.084 -19.090 -0.517 1.00 0.00 C ATOM 1266 CG PRO A 84 4.844 -17.678 -1.026 1.00 0.00 C ATOM 1267 CD PRO A 84 4.189 -16.885 0.093 1.00 0.00 C ATOM 0 HA PRO A 84 4.378 -19.914 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.087 -19.432 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.382 -19.792 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.785 -17.214 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.204 -17.694 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.761 -15.987 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.187 -16.560 -0.186 1.00 0.00 H new ATOM 1275 N PRO A 85 6.706 -20.245 2.088 1.00 0.00 N ATOM 1276 CA PRO A 85 7.955 -20.387 2.815 1.00 0.00 C ATOM 1277 C PRO A 85 9.154 -20.126 1.902 1.00 0.00 C ATOM 1278 O PRO A 85 10.227 -20.694 2.103 1.00 0.00 O ATOM 1279 CB PRO A 85 7.928 -21.802 3.371 1.00 0.00 C ATOM 1280 CG PRO A 85 6.889 -22.551 2.552 1.00 0.00 C ATOM 1281 CD PRO A 85 6.075 -21.525 1.781 1.00 0.00 C ATOM 0 HA PRO A 85 8.058 -19.659 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.907 -22.274 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.665 -21.801 4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.373 -23.247 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.243 -23.140 3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.093 -21.729 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.030 -21.535 2.090 1.00 0.00 H new ATOM 1289 N LYS A 86 8.932 -19.268 0.918 1.00 0.00 N ATOM 1290 CA LYS A 86 9.982 -18.925 -0.027 1.00 0.00 C ATOM 1291 C LYS A 86 9.565 -17.683 -0.817 1.00 0.00 C ATOM 1292 O LYS A 86 9.457 -17.729 -2.042 1.00 0.00 O ATOM 1293 CB LYS A 86 10.323 -20.128 -0.908 1.00 0.00 C ATOM 1294 CG LYS A 86 9.111 -20.564 -1.735 1.00 0.00 C ATOM 1295 CD LYS A 86 8.221 -21.521 -0.940 1.00 0.00 C ATOM 1296 CE LYS A 86 7.918 -22.785 -1.745 1.00 0.00 C ATOM 1297 NZ LYS A 86 6.457 -23.005 -1.835 1.00 0.00 N ATOM 0 H LYS A 86 8.041 -18.800 0.754 1.00 0.00 H new ATOM 0 HA LYS A 86 10.902 -18.674 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 86 11.149 -19.874 -1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.659 -20.956 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.535 -19.688 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.447 -21.050 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.714 -21.790 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.289 -21.022 -0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.341 -22.696 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.393 -23.646 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.266 -23.818 -2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.076 -23.195 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.002 -22.156 -2.227 1.00 0.00 H new ATOM 1311 N PHE A 87 9.341 -16.602 -0.084 1.00 0.00 N ATOM 1312 CA PHE A 87 8.938 -15.349 -0.701 1.00 0.00 C ATOM 1313 C PHE A 87 9.850 -14.203 -0.260 1.00 0.00 C ATOM 1314 O PHE A 87 10.030 -13.972 0.934 1.00 0.00 O ATOM 1315 CB PHE A 87 7.511 -15.059 -0.233 1.00 0.00 C ATOM 1316 CG PHE A 87 6.777 -14.019 -1.082 1.00 0.00 C ATOM 1317 CD1 PHE A 87 6.915 -12.694 -0.803 1.00 0.00 C ATOM 1318 CD2 PHE A 87 5.987 -14.418 -2.115 1.00 0.00 C ATOM 1319 CE1 PHE A 87 6.234 -11.729 -1.591 1.00 0.00 C ATOM 1320 CE2 PHE A 87 5.307 -13.452 -2.902 1.00 0.00 C ATOM 1321 CZ PHE A 87 5.444 -12.128 -2.624 1.00 0.00 C ATOM 0 H PHE A 87 9.431 -16.568 0.931 1.00 0.00 H new ATOM 0 HA PHE A 87 9.001 -15.431 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.941 -15.988 -0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.542 -14.713 0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.542 -12.377 0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.877 -15.469 -2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.343 -10.677 -1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.680 -13.769 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.926 -11.394 -3.223 1.00 0.00 H new ATOM 1331 N THR A 88 10.402 -13.514 -1.249 1.00 0.00 N ATOM 1332 CA THR A 88 11.291 -12.397 -0.978 1.00 0.00 C ATOM 1333 C THR A 88 10.738 -11.113 -1.599 1.00 0.00 C ATOM 1334 O THR A 88 10.217 -11.133 -2.713 1.00 0.00 O ATOM 1335 CB THR A 88 12.685 -12.768 -1.487 1.00 0.00 C ATOM 1336 OG1 THR A 88 13.318 -13.369 -0.361 1.00 0.00 O ATOM 1337 CG2 THR A 88 13.545 -11.539 -1.786 1.00 0.00 C ATOM 0 H THR A 88 10.251 -13.708 -2.239 1.00 0.00 H new ATOM 0 HA THR A 88 11.363 -12.198 0.091 1.00 0.00 H new ATOM 0 HB THR A 88 12.592 -13.374 -2.388 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.228 -13.641 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.524 -11.858 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.059 -10.932 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.666 -10.949 -0.877 1.00 0.00 H new ATOM 1345 N LEU A 89 10.871 -10.027 -0.852 1.00 0.00 N ATOM 1346 CA LEU A 89 10.392 -8.736 -1.316 1.00 0.00 C ATOM 1347 C LEU A 89 11.572 -7.769 -1.430 1.00 0.00 C ATOM 1348 O LEU A 89 11.915 -7.087 -0.466 1.00 0.00 O ATOM 1349 CB LEU A 89 9.265 -8.228 -0.414 1.00 0.00 C ATOM 1350 CG LEU A 89 8.653 -6.880 -0.801 1.00 0.00 C ATOM 1351 CD1 LEU A 89 7.857 -6.993 -2.103 1.00 0.00 C ATOM 1352 CD2 LEU A 89 7.807 -6.314 0.341 1.00 0.00 C ATOM 0 H LEU A 89 11.304 -10.014 0.072 1.00 0.00 H new ATOM 0 HA LEU A 89 9.957 -8.826 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.471 -8.975 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.647 -8.152 0.604 1.00 0.00 H new ATOM 0 HG LEU A 89 9.465 -6.175 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.433 -6.021 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.517 -7.320 -2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.053 -7.718 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.384 -5.356 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.001 -7.009 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.433 -6.173 1.222 1.00 0.00 H new ATOM 1364 N LYS A 90 12.162 -7.742 -2.616 1.00 0.00 N ATOM 1365 CA LYS A 90 13.297 -6.871 -2.868 1.00 0.00 C ATOM 1366 C LYS A 90 13.027 -5.498 -2.249 1.00 0.00 C ATOM 1367 O LYS A 90 11.893 -5.189 -1.885 1.00 0.00 O ATOM 1368 CB LYS A 90 13.611 -6.819 -4.364 1.00 0.00 C ATOM 1369 CG LYS A 90 14.388 -8.061 -4.804 1.00 0.00 C ATOM 1370 CD LYS A 90 14.259 -8.283 -6.313 1.00 0.00 C ATOM 1371 CE LYS A 90 12.823 -8.650 -6.692 1.00 0.00 C ATOM 1372 NZ LYS A 90 12.726 -8.937 -8.141 1.00 0.00 N ATOM 0 H LYS A 90 11.875 -8.310 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 90 14.194 -7.266 -2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.683 -6.746 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.192 -5.924 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.439 -7.950 -4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.015 -8.936 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.560 -7.380 -6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.936 -9.078 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.501 -9.521 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.152 -7.832 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.745 -9.184 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.013 -8.096 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.352 -9.733 -8.380 1.00 0.00 H new ATOM 1386 N ALA A 91 14.088 -4.711 -2.148 1.00 0.00 N ATOM 1387 CA ALA A 91 13.980 -3.378 -1.579 1.00 0.00 C ATOM 1388 C ALA A 91 13.468 -2.412 -2.648 1.00 0.00 C ATOM 1389 O ALA A 91 13.949 -2.421 -3.781 1.00 0.00 O ATOM 1390 CB ALA A 91 15.336 -2.954 -1.011 1.00 0.00 C ATOM 0 H ALA A 91 15.027 -4.971 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 91 13.265 -3.369 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.255 -1.954 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.641 -3.656 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.079 -2.949 -1.808 1.00 0.00 H new ATOM 1396 N GLY A 92 12.498 -1.600 -2.252 1.00 0.00 N ATOM 1397 CA GLY A 92 11.915 -0.630 -3.163 1.00 0.00 C ATOM 1398 C GLY A 92 10.940 -1.302 -4.131 1.00 0.00 C ATOM 1399 O GLY A 92 10.432 -0.663 -5.050 1.00 0.00 O ATOM 0 H GLY A 92 12.101 -1.594 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.395 0.141 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.706 -0.133 -3.725 1.00 0.00 H new ATOM 1403 N GLN A 93 10.709 -2.585 -3.891 1.00 0.00 N ATOM 1404 CA GLN A 93 9.803 -3.351 -4.730 1.00 0.00 C ATOM 1405 C GLN A 93 8.381 -3.293 -4.169 1.00 0.00 C ATOM 1406 O GLN A 93 8.161 -2.766 -3.079 1.00 0.00 O ATOM 1407 CB GLN A 93 10.279 -4.799 -4.869 1.00 0.00 C ATOM 1408 CG GLN A 93 10.896 -5.043 -6.248 1.00 0.00 C ATOM 1409 CD GLN A 93 11.914 -3.954 -6.593 1.00 0.00 C ATOM 1410 OE1 GLN A 93 12.834 -3.755 -5.653 1.00 0.00 O flip ATOM 1411 NE2 GLN A 93 11.868 -3.335 -7.643 1.00 0.00 N flip ATOM 0 H GLN A 93 11.133 -3.113 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 93 9.797 -2.907 -5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.013 -5.020 -4.094 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.440 -5.478 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.382 -6.019 -6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.110 -5.064 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.135 -3.537 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.563 -2.615 -7.841 1.00 0.00 H new ATOM 1420 N VAL A 94 7.452 -3.841 -4.938 1.00 0.00 N ATOM 1421 CA VAL A 94 6.058 -3.858 -4.531 1.00 0.00 C ATOM 1422 C VAL A 94 5.430 -5.195 -4.931 1.00 0.00 C ATOM 1423 O VAL A 94 5.936 -5.882 -5.817 1.00 0.00 O ATOM 1424 CB VAL A 94 5.325 -2.652 -5.124 1.00 0.00 C ATOM 1425 CG1 VAL A 94 5.192 -2.785 -6.643 1.00 0.00 C ATOM 1426 CG2 VAL A 94 3.956 -2.466 -4.468 1.00 0.00 C ATOM 0 H VAL A 94 7.638 -4.277 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 94 5.976 -3.772 -3.448 1.00 0.00 H new ATOM 0 HB VAL A 94 5.919 -1.762 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.668 -1.916 -7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.184 -2.846 -7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.630 -3.688 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.456 -1.603 -4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.350 -3.358 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.084 -2.305 -3.398 1.00 0.00 H new ATOM 1436 N VAL A 95 4.337 -5.523 -4.258 1.00 0.00 N ATOM 1437 CA VAL A 95 3.635 -6.766 -4.532 1.00 0.00 C ATOM 1438 C VAL A 95 2.128 -6.534 -4.406 1.00 0.00 C ATOM 1439 O VAL A 95 1.689 -5.697 -3.619 1.00 0.00 O ATOM 1440 CB VAL A 95 4.149 -7.872 -3.607 1.00 0.00 C ATOM 1441 CG1 VAL A 95 3.914 -7.512 -2.139 1.00 0.00 C ATOM 1442 CG2 VAL A 95 3.507 -9.217 -3.952 1.00 0.00 C ATOM 0 H VAL A 95 3.920 -4.950 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 95 3.829 -7.097 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 95 5.224 -7.965 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.288 -8.314 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.439 -6.587 -1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.847 -7.378 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.889 -9.986 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.425 -9.143 -3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.749 -9.482 -4.981 1.00 0.00 H new ATOM 1452 N THR A 96 1.378 -7.289 -5.195 1.00 0.00 N ATOM 1453 CA THR A 96 -0.071 -7.176 -5.182 1.00 0.00 C ATOM 1454 C THR A 96 -0.708 -8.529 -4.860 1.00 0.00 C ATOM 1455 O THR A 96 -0.389 -9.536 -5.490 1.00 0.00 O ATOM 1456 CB THR A 96 -0.512 -6.602 -6.530 1.00 0.00 C ATOM 1457 OG1 THR A 96 0.517 -5.676 -6.867 1.00 0.00 O ATOM 1458 CG2 THR A 96 -1.769 -5.737 -6.415 1.00 0.00 C ATOM 0 H THR A 96 1.746 -7.981 -5.847 1.00 0.00 H new ATOM 0 HA THR A 96 -0.408 -6.498 -4.398 1.00 0.00 H new ATOM 0 HB THR A 96 -0.696 -7.418 -7.229 1.00 0.00 H new ATOM 0 HG1 THR A 96 0.312 -5.258 -7.729 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.039 -5.355 -7.399 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.589 -6.338 -6.022 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.576 -4.902 -5.742 1.00 0.00 H new ATOM 1466 N ILE A 97 -1.598 -8.508 -3.878 1.00 0.00 N ATOM 1467 CA ILE A 97 -2.284 -9.721 -3.464 1.00 0.00 C ATOM 1468 C ILE A 97 -3.780 -9.580 -3.753 1.00 0.00 C ATOM 1469 O ILE A 97 -4.559 -9.246 -2.862 1.00 0.00 O ATOM 1470 CB ILE A 97 -1.967 -10.043 -2.003 1.00 0.00 C ATOM 1471 CG1 ILE A 97 -0.459 -10.000 -1.746 1.00 0.00 C ATOM 1472 CG2 ILE A 97 -2.581 -11.383 -1.591 1.00 0.00 C ATOM 1473 CD1 ILE A 97 0.000 -8.579 -1.413 1.00 0.00 C ATOM 0 H ILE A 97 -1.860 -7.671 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.928 -10.576 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.422 -9.275 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.207 -10.669 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.074 -10.361 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.341 -11.588 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.663 -11.340 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.177 -12.177 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.075 -8.576 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.231 -7.917 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.517 -8.230 -0.519 1.00 0.00 H new ATOM 1485 N TRP A 98 -4.136 -9.842 -5.002 1.00 0.00 N ATOM 1486 CA TRP A 98 -5.525 -9.749 -5.419 1.00 0.00 C ATOM 1487 C TRP A 98 -6.301 -10.874 -4.733 1.00 0.00 C ATOM 1488 O TRP A 98 -5.707 -11.824 -4.225 1.00 0.00 O ATOM 1489 CB TRP A 98 -5.643 -9.785 -6.944 1.00 0.00 C ATOM 1490 CG TRP A 98 -4.759 -8.762 -7.661 1.00 0.00 C ATOM 1491 CD1 TRP A 98 -3.456 -8.860 -7.956 1.00 0.00 C ATOM 1492 CD2 TRP A 98 -5.171 -7.473 -8.165 1.00 0.00 C ATOM 1493 NE1 TRP A 98 -2.999 -7.734 -8.610 1.00 0.00 N ATOM 1494 CE2 TRP A 98 -4.076 -6.864 -8.741 1.00 0.00 C ATOM 1495 CE3 TRP A 98 -6.428 -6.844 -8.134 1.00 0.00 C ATOM 1496 CZ2 TRP A 98 -4.126 -5.595 -9.330 1.00 0.00 C ATOM 1497 CZ3 TRP A 98 -6.462 -5.576 -8.727 1.00 0.00 C ATOM 1498 CH2 TRP A 98 -5.368 -4.949 -9.311 1.00 0.00 C ATOM 0 H TRP A 98 -3.487 -10.119 -5.739 1.00 0.00 H new ATOM 0 HA TRP A 98 -5.955 -8.794 -5.116 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -5.383 -10.784 -7.295 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -6.682 -9.610 -7.222 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -2.840 -9.713 -7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.047 -7.570 -8.937 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -7.298 -7.302 -7.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.254 -5.139 -9.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -7.404 -5.048 -8.731 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -5.475 -3.967 -9.748 1.00 0.00 H new ATOM 1509 N ALA A 99 -7.618 -10.730 -4.739 1.00 0.00 N ATOM 1510 CA ALA A 99 -8.483 -11.723 -4.123 1.00 0.00 C ATOM 1511 C ALA A 99 -9.270 -12.453 -5.212 1.00 0.00 C ATOM 1512 O ALA A 99 -9.676 -11.846 -6.203 1.00 0.00 O ATOM 1513 CB ALA A 99 -9.395 -11.042 -3.101 1.00 0.00 C ATOM 0 H ALA A 99 -8.108 -9.941 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.893 -12.467 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.044 -11.786 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.787 -10.564 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.005 -10.290 -3.602 1.00 0.00 H new ATOM 1519 N SER A 100 -9.463 -13.745 -4.993 1.00 0.00 N ATOM 1520 CA SER A 100 -10.195 -14.565 -5.944 1.00 0.00 C ATOM 1521 C SER A 100 -11.358 -13.767 -6.536 1.00 0.00 C ATOM 1522 O SER A 100 -11.515 -13.703 -7.754 1.00 0.00 O ATOM 1523 CB SER A 100 -10.710 -15.846 -5.284 1.00 0.00 C ATOM 1524 OG SER A 100 -11.801 -16.414 -6.004 1.00 0.00 O ATOM 0 H SER A 100 -9.125 -14.245 -4.171 1.00 0.00 H new ATOM 0 HA SER A 100 -9.514 -14.851 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.900 -16.572 -5.220 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.023 -15.628 -4.263 1.00 0.00 H new ATOM 0 HG SER A 100 -12.101 -17.231 -5.553 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.144 -13.179 -5.646 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.288 -12.388 -6.065 1.00 0.00 C ATOM 1532 C GLY A 101 -12.867 -10.962 -6.424 1.00 0.00 C ATOM 1533 O GLY A 101 -13.342 -10.000 -5.821 1.00 0.00 O ATOM 0 H GLY A 101 -12.011 -13.235 -4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.764 -12.858 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.029 -12.362 -5.266 1.00 0.00 H new ATOM 1537 N ALA A 102 -11.980 -10.869 -7.403 1.00 0.00 N ATOM 1538 CA ALA A 102 -11.489 -9.576 -7.849 1.00 0.00 C ATOM 1539 C ALA A 102 -11.423 -9.560 -9.378 1.00 0.00 C ATOM 1540 O ALA A 102 -11.888 -8.615 -10.013 1.00 0.00 O ATOM 1541 CB ALA A 102 -10.131 -9.295 -7.204 1.00 0.00 C ATOM 0 H ALA A 102 -11.588 -11.668 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.167 -8.781 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.763 -8.325 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.238 -9.288 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.423 -10.071 -7.494 1.00 0.00 H new ATOM 1547 N GLY A 103 -10.843 -10.619 -9.924 1.00 0.00 N ATOM 1548 CA GLY A 103 -10.710 -10.738 -11.366 1.00 0.00 C ATOM 1549 C GLY A 103 -9.277 -10.440 -11.812 1.00 0.00 C ATOM 1550 O GLY A 103 -9.038 -10.122 -12.976 1.00 0.00 O ATOM 0 H GLY A 103 -10.460 -11.402 -9.394 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.990 -11.744 -11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.398 -10.049 -11.856 1.00 0.00 H new ATOM 1554 N ALA A 104 -8.360 -10.553 -10.861 1.00 0.00 N ATOM 1555 CA ALA A 104 -6.957 -10.299 -11.141 1.00 0.00 C ATOM 1556 C ALA A 104 -6.343 -11.532 -11.807 1.00 0.00 C ATOM 1557 O ALA A 104 -7.057 -12.464 -12.173 1.00 0.00 O ATOM 1558 CB ALA A 104 -6.239 -9.918 -9.845 1.00 0.00 C ATOM 0 H ALA A 104 -8.562 -10.817 -9.897 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.849 -9.463 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.186 -9.727 -10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.694 -9.020 -9.427 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.324 -10.735 -9.128 1.00 0.00 H new ATOM 1564 N THR A 105 -5.026 -11.497 -11.944 1.00 0.00 N ATOM 1565 CA THR A 105 -4.308 -12.600 -12.559 1.00 0.00 C ATOM 1566 C THR A 105 -3.070 -12.958 -11.734 1.00 0.00 C ATOM 1567 O THR A 105 -2.207 -12.112 -11.506 1.00 0.00 O ATOM 1568 CB THR A 105 -3.984 -12.207 -14.002 1.00 0.00 C ATOM 1569 OG1 THR A 105 -5.059 -12.755 -14.761 1.00 0.00 O ATOM 1570 CG2 THR A 105 -2.744 -12.924 -14.540 1.00 0.00 C ATOM 0 H THR A 105 -4.437 -10.722 -11.640 1.00 0.00 H new ATOM 0 HA THR A 105 -4.917 -13.504 -12.582 1.00 0.00 H new ATOM 0 HB THR A 105 -3.833 -11.129 -14.059 1.00 0.00 H new ATOM 0 HG1 THR A 105 -4.930 -12.545 -15.710 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.559 -12.609 -15.567 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.882 -12.673 -13.922 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.907 -14.001 -14.514 1.00 0.00 H new ATOM 1578 N HIS A 106 -3.023 -14.212 -11.310 1.00 0.00 N ATOM 1579 CA HIS A 106 -1.905 -14.691 -10.515 1.00 0.00 C ATOM 1580 C HIS A 106 -0.599 -14.463 -11.277 1.00 0.00 C ATOM 1581 O HIS A 106 -0.190 -15.301 -12.080 1.00 0.00 O ATOM 1582 CB HIS A 106 -2.111 -16.154 -10.115 1.00 0.00 C ATOM 1583 CG HIS A 106 -1.215 -16.615 -8.990 1.00 0.00 C ATOM 1584 ND1 HIS A 106 -1.562 -16.490 -7.656 1.00 0.00 N ATOM 1585 CD2 HIS A 106 0.016 -17.201 -9.015 1.00 0.00 C ATOM 1586 CE1 HIS A 106 -0.576 -16.982 -6.920 1.00 0.00 C ATOM 1587 NE2 HIS A 106 0.401 -17.421 -7.764 1.00 0.00 N ATOM 0 H HIS A 106 -3.741 -14.911 -11.502 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.846 -14.125 -9.585 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -3.150 -16.296 -9.820 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -1.938 -16.786 -10.986 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.582 -17.445 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -0.551 -17.027 -5.841 1.00 0.00 H new ATOM 0 HE2 HIS A 106 1.283 -17.848 -7.480 1.00 0.00 H new ATOM 1595 N SER A 107 0.021 -13.326 -10.999 1.00 0.00 N ATOM 1596 CA SER A 107 1.273 -12.977 -11.648 1.00 0.00 C ATOM 1597 C SER A 107 2.342 -12.674 -10.596 1.00 0.00 C ATOM 1598 O SER A 107 2.713 -11.518 -10.399 1.00 0.00 O ATOM 1599 CB SER A 107 1.094 -11.779 -12.583 1.00 0.00 C ATOM 1600 OG SER A 107 1.221 -12.148 -13.954 1.00 0.00 O ATOM 0 H SER A 107 -0.321 -12.634 -10.332 1.00 0.00 H new ATOM 0 HA SER A 107 1.595 -13.828 -12.249 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.113 -11.333 -12.417 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.836 -11.017 -12.342 1.00 0.00 H new ATOM 0 HG SER A 107 1.099 -11.356 -14.519 1.00 0.00 H new ATOM 1606 N PRO A 108 2.818 -13.760 -9.931 1.00 0.00 N ATOM 1607 CA PRO A 108 3.837 -13.621 -8.904 1.00 0.00 C ATOM 1608 C PRO A 108 5.209 -13.356 -9.526 1.00 0.00 C ATOM 1609 O PRO A 108 5.381 -13.479 -10.737 1.00 0.00 O ATOM 1610 CB PRO A 108 3.782 -14.921 -8.118 1.00 0.00 C ATOM 1611 CG PRO A 108 3.065 -15.919 -9.012 1.00 0.00 C ATOM 1612 CD PRO A 108 2.402 -15.144 -10.139 1.00 0.00 C ATOM 0 HA PRO A 108 3.662 -12.767 -8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.784 -15.270 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.249 -14.786 -7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.770 -16.647 -9.413 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.321 -16.476 -8.442 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.722 -15.511 -11.114 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.317 -15.241 -10.102 1.00 0.00 H new ATOM 1620 N PRO A 109 6.178 -12.988 -8.644 1.00 0.00 N ATOM 1621 CA PRO A 109 5.891 -12.865 -7.225 1.00 0.00 C ATOM 1622 C PRO A 109 5.093 -11.592 -6.935 1.00 0.00 C ATOM 1623 O PRO A 109 4.401 -11.507 -5.921 1.00 0.00 O ATOM 1624 CB PRO A 109 7.251 -12.882 -6.546 1.00 0.00 C ATOM 1625 CG PRO A 109 8.262 -12.545 -7.630 1.00 0.00 C ATOM 1626 CD PRO A 109 7.566 -12.678 -8.975 1.00 0.00 C ATOM 0 HA PRO A 109 5.264 -13.674 -6.851 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.292 -12.155 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.457 -13.859 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.642 -11.532 -7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 109 9.118 -13.217 -7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 109 7.639 -11.756 -9.552 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.015 -13.467 -9.577 1.00 0.00 H new ATOM 1634 N THR A 110 5.217 -10.635 -7.842 1.00 0.00 N ATOM 1635 CA THR A 110 4.516 -9.371 -7.696 1.00 0.00 C ATOM 1636 C THR A 110 3.018 -9.611 -7.497 1.00 0.00 C ATOM 1637 O THR A 110 2.553 -9.749 -6.367 1.00 0.00 O ATOM 1638 CB THR A 110 4.835 -8.509 -8.919 1.00 0.00 C ATOM 1639 OG1 THR A 110 4.476 -9.330 -10.026 1.00 0.00 O ATOM 1640 CG2 THR A 110 6.338 -8.280 -9.098 1.00 0.00 C ATOM 0 H THR A 110 5.792 -10.709 -8.681 1.00 0.00 H new ATOM 0 HA THR A 110 4.849 -8.836 -6.807 1.00 0.00 H new ATOM 0 HB THR A 110 4.329 -7.548 -8.827 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.649 -8.847 -10.861 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.510 -7.663 -9.980 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.736 -7.775 -8.218 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.840 -9.239 -9.224 1.00 0.00 H new ATOM 1648 N ASP A 111 2.304 -9.653 -8.613 1.00 0.00 N ATOM 1649 CA ASP A 111 0.869 -9.874 -8.575 1.00 0.00 C ATOM 1650 C ASP A 111 0.586 -11.264 -8.000 1.00 0.00 C ATOM 1651 O ASP A 111 1.316 -12.214 -8.277 1.00 0.00 O ATOM 1652 CB ASP A 111 0.265 -9.812 -9.979 1.00 0.00 C ATOM 1653 CG ASP A 111 -0.133 -8.412 -10.451 1.00 0.00 C ATOM 1654 OD1 ASP A 111 0.490 -7.448 -9.955 1.00 0.00 O ATOM 1655 OD2 ASP A 111 -1.051 -8.337 -11.296 1.00 0.00 O ATOM 0 H ASP A 111 2.693 -9.538 -9.549 1.00 0.00 H new ATOM 0 HA ASP A 111 0.424 -9.095 -7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 111 0.984 -10.227 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -0.616 -10.453 -10.008 1.00 0.00 H new ATOM 1660 N LEU A 112 -0.474 -11.337 -7.209 1.00 0.00 N ATOM 1661 CA LEU A 112 -0.862 -12.594 -6.592 1.00 0.00 C ATOM 1662 C LEU A 112 -2.389 -12.677 -6.530 1.00 0.00 C ATOM 1663 O LEU A 112 -3.076 -11.671 -6.699 1.00 0.00 O ATOM 1664 CB LEU A 112 -0.182 -12.756 -5.231 1.00 0.00 C ATOM 1665 CG LEU A 112 1.225 -13.356 -5.252 1.00 0.00 C ATOM 1666 CD1 LEU A 112 1.878 -13.270 -3.871 1.00 0.00 C ATOM 1667 CD2 LEU A 112 1.203 -14.789 -5.787 1.00 0.00 C ATOM 0 H LEU A 112 -1.076 -10.546 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 112 -0.520 -13.435 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.131 -11.777 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.814 -13.384 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 112 1.837 -12.767 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.877 -13.703 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.948 -12.226 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.275 -13.819 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.216 -15.191 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.570 -15.406 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.807 -14.792 -6.803 1.00 0.00 H new ATOM 1679 N VAL A 113 -2.875 -13.886 -6.289 1.00 0.00 N ATOM 1680 CA VAL A 113 -4.307 -14.114 -6.203 1.00 0.00 C ATOM 1681 C VAL A 113 -4.611 -14.958 -4.964 1.00 0.00 C ATOM 1682 O VAL A 113 -4.036 -16.030 -4.783 1.00 0.00 O ATOM 1683 CB VAL A 113 -4.815 -14.749 -7.499 1.00 0.00 C ATOM 1684 CG1 VAL A 113 -6.267 -15.206 -7.353 1.00 0.00 C ATOM 1685 CG2 VAL A 113 -4.659 -13.787 -8.679 1.00 0.00 C ATOM 0 H VAL A 113 -2.302 -14.718 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.838 -13.169 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.205 -15.630 -7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.603 -15.654 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.338 -15.942 -6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.896 -14.348 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.028 -14.263 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.232 -12.880 -8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.607 -13.532 -8.804 1.00 0.00 H new ATOM 1695 N TRP A 114 -5.515 -14.443 -4.143 1.00 0.00 N ATOM 1696 CA TRP A 114 -5.903 -15.137 -2.927 1.00 0.00 C ATOM 1697 C TRP A 114 -7.074 -16.063 -3.263 1.00 0.00 C ATOM 1698 O TRP A 114 -8.227 -15.634 -3.269 1.00 0.00 O ATOM 1699 CB TRP A 114 -6.228 -14.144 -1.809 1.00 0.00 C ATOM 1700 CG TRP A 114 -6.277 -14.771 -0.415 1.00 0.00 C ATOM 1701 CD1 TRP A 114 -5.999 -16.035 -0.068 1.00 0.00 C ATOM 1702 CD2 TRP A 114 -6.637 -14.106 0.815 1.00 0.00 C ATOM 1703 NE1 TRP A 114 -6.154 -16.233 1.289 1.00 0.00 N ATOM 1704 CE2 TRP A 114 -6.554 -15.023 1.843 1.00 0.00 C ATOM 1705 CE3 TRP A 114 -7.021 -12.774 1.050 1.00 0.00 C ATOM 1706 CZ2 TRP A 114 -6.840 -14.707 3.177 1.00 0.00 C ATOM 1707 CZ3 TRP A 114 -7.302 -12.474 2.388 1.00 0.00 C ATOM 1708 CH2 TRP A 114 -7.224 -13.385 3.435 1.00 0.00 C ATOM 0 H TRP A 114 -5.990 -13.553 -4.296 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.079 -15.742 -2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.481 -13.351 -1.813 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.190 -13.677 -2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -5.692 -16.803 -0.763 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.003 -17.107 1.793 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -7.093 -12.040 0.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -6.768 -15.443 3.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.601 -11.463 2.624 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.458 -13.075 4.443 1.00 0.00 H new ATOM 1719 N LYS A 115 -6.737 -17.315 -3.535 1.00 0.00 N ATOM 1720 CA LYS A 115 -7.746 -18.305 -3.871 1.00 0.00 C ATOM 1721 C LYS A 115 -8.448 -18.766 -2.592 1.00 0.00 C ATOM 1722 O LYS A 115 -9.676 -18.832 -2.543 1.00 0.00 O ATOM 1723 CB LYS A 115 -7.128 -19.447 -4.679 1.00 0.00 C ATOM 1724 CG LYS A 115 -6.717 -18.972 -6.075 1.00 0.00 C ATOM 1725 CD LYS A 115 -5.635 -19.878 -6.666 1.00 0.00 C ATOM 1726 CE LYS A 115 -6.223 -20.820 -7.718 1.00 0.00 C ATOM 1727 NZ LYS A 115 -5.194 -21.772 -8.194 1.00 0.00 N ATOM 0 H LYS A 115 -5.780 -17.667 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.510 -17.867 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.257 -19.839 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.843 -20.265 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.587 -18.963 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.349 -17.948 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.851 -19.269 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.169 -20.460 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.065 -21.367 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.608 -20.242 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.610 -22.404 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.403 -21.245 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.846 -22.336 -7.393 1.00 0.00 H new ATOM 1741 N ALA A 116 -7.639 -19.073 -1.589 1.00 0.00 N ATOM 1742 CA ALA A 116 -8.168 -19.526 -0.314 1.00 0.00 C ATOM 1743 C ALA A 116 -9.419 -18.717 0.032 1.00 0.00 C ATOM 1744 O ALA A 116 -10.422 -19.276 0.473 1.00 0.00 O ATOM 1745 CB ALA A 116 -7.083 -19.409 0.759 1.00 0.00 C ATOM 0 H ALA A 116 -6.622 -19.017 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.460 -20.575 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -7.479 -19.749 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -6.228 -20.026 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -6.768 -18.369 0.846 1.00 0.00 H new ATOM 1751 N GLN A 117 -9.319 -17.413 -0.182 1.00 0.00 N ATOM 1752 CA GLN A 117 -10.431 -16.521 0.101 1.00 0.00 C ATOM 1753 C GLN A 117 -11.118 -16.100 -1.200 1.00 0.00 C ATOM 1754 O GLN A 117 -10.666 -16.454 -2.288 1.00 0.00 O ATOM 1755 CB GLN A 117 -9.965 -15.299 0.895 1.00 0.00 C ATOM 1756 CG GLN A 117 -10.497 -15.342 2.329 1.00 0.00 C ATOM 1757 CD GLN A 117 -12.010 -15.119 2.360 1.00 0.00 C ATOM 1758 OE1 GLN A 117 -12.792 -16.024 2.598 1.00 0.00 O ATOM 1759 NE2 GLN A 117 -12.377 -13.866 2.105 1.00 0.00 N ATOM 0 H GLN A 117 -8.485 -16.953 -0.548 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.155 -17.058 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.876 -15.263 0.908 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.308 -14.389 0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.259 -16.305 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.001 -14.578 2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.670 -13.156 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -13.366 -13.615 2.101 1.00 0.00 H new ATOM 1768 N ASN A 118 -12.199 -15.349 -1.044 1.00 0.00 N ATOM 1769 CA ASN A 118 -12.952 -14.876 -2.193 1.00 0.00 C ATOM 1770 C ASN A 118 -12.846 -13.352 -2.274 1.00 0.00 C ATOM 1771 O ASN A 118 -13.067 -12.766 -3.333 1.00 0.00 O ATOM 1772 CB ASN A 118 -14.433 -15.241 -2.068 1.00 0.00 C ATOM 1773 CG ASN A 118 -15.095 -14.465 -0.928 1.00 0.00 C ATOM 1774 OD1 ASN A 118 -15.820 -13.505 -1.134 1.00 0.00 O ATOM 1775 ND2 ASN A 118 -14.806 -14.933 0.283 1.00 0.00 N ATOM 0 H ASN A 118 -12.571 -15.057 -0.140 1.00 0.00 H new ATOM 0 HA ASN A 118 -12.538 -15.346 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -14.945 -15.024 -3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -14.534 -16.312 -1.890 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -15.199 -14.484 1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -14.192 -15.741 0.384 1.00 0.00 H new ATOM 1782 N THR A 119 -12.509 -12.753 -1.141 1.00 0.00 N ATOM 1783 CA THR A 119 -12.371 -11.308 -1.071 1.00 0.00 C ATOM 1784 C THR A 119 -11.729 -10.898 0.255 1.00 0.00 C ATOM 1785 O THR A 119 -12.091 -11.414 1.311 1.00 0.00 O ATOM 1786 CB THR A 119 -13.753 -10.690 -1.294 1.00 0.00 C ATOM 1787 OG1 THR A 119 -13.486 -9.303 -1.482 1.00 0.00 O ATOM 1788 CG2 THR A 119 -14.624 -10.734 -0.037 1.00 0.00 C ATOM 0 H THR A 119 -12.328 -13.242 -0.264 1.00 0.00 H new ATOM 0 HA THR A 119 -11.703 -10.936 -1.848 1.00 0.00 H new ATOM 0 HB THR A 119 -14.259 -11.215 -2.105 1.00 0.00 H new ATOM 0 HG1 THR A 119 -14.328 -8.826 -1.635 1.00 0.00 H new ATOM 0 HG21 THR A 119 -15.593 -10.283 -0.250 1.00 0.00 H new ATOM 0 HG22 THR A 119 -14.766 -11.770 0.271 1.00 0.00 H new ATOM 0 HG23 THR A 119 -14.135 -10.181 0.764 1.00 0.00 H new ATOM 1796 N TRP A 120 -10.785 -9.972 0.158 1.00 0.00 N ATOM 1797 CA TRP A 120 -10.089 -9.486 1.337 1.00 0.00 C ATOM 1798 C TRP A 120 -11.137 -9.139 2.396 1.00 0.00 C ATOM 1799 O TRP A 120 -10.942 -9.410 3.580 1.00 0.00 O ATOM 1800 CB TRP A 120 -9.178 -8.308 0.989 1.00 0.00 C ATOM 1801 CG TRP A 120 -7.798 -8.719 0.472 1.00 0.00 C ATOM 1802 CD1 TRP A 120 -7.368 -8.755 -0.796 1.00 0.00 C ATOM 1803 CD2 TRP A 120 -6.676 -9.154 1.270 1.00 0.00 C ATOM 1804 NE1 TRP A 120 -6.058 -9.180 -0.875 1.00 0.00 N ATOM 1805 CE2 TRP A 120 -5.623 -9.430 0.421 1.00 0.00 C ATOM 1806 CE3 TRP A 120 -6.555 -9.309 2.662 1.00 0.00 C ATOM 1807 CZ2 TRP A 120 -4.375 -9.878 0.869 1.00 0.00 C ATOM 1808 CZ3 TRP A 120 -5.301 -9.758 3.094 1.00 0.00 C ATOM 1809 CH2 TRP A 120 -4.231 -10.040 2.252 1.00 0.00 C ATOM 0 H TRP A 120 -10.486 -9.546 -0.719 1.00 0.00 H new ATOM 0 HA TRP A 120 -9.429 -10.255 1.739 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -9.669 -7.693 0.235 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -9.052 -7.686 1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -7.972 -8.485 -1.650 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.509 -9.290 -1.728 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -7.365 -9.098 3.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.566 -10.087 0.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.155 -9.895 4.155 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.293 -10.383 2.663 1.00 0.00 H new ATOM 1820 N GLY A 121 -12.227 -8.545 1.932 1.00 0.00 N ATOM 1821 CA GLY A 121 -13.306 -8.158 2.824 1.00 0.00 C ATOM 1822 C GLY A 121 -13.660 -6.680 2.648 1.00 0.00 C ATOM 1823 O GLY A 121 -12.779 -5.848 2.434 1.00 0.00 O ATOM 0 H GLY A 121 -12.386 -8.322 0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -14.184 -8.772 2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.013 -8.345 3.857 1.00 0.00 H new ATOM 1827 N CYS A 122 -14.951 -6.398 2.744 1.00 0.00 N ATOM 1828 CA CYS A 122 -15.432 -5.034 2.598 1.00 0.00 C ATOM 1829 C CYS A 122 -16.020 -4.586 3.937 1.00 0.00 C ATOM 1830 O CYS A 122 -15.906 -5.294 4.937 1.00 0.00 O ATOM 1831 CB CYS A 122 -16.447 -4.912 1.459 1.00 0.00 C ATOM 1832 SG CYS A 122 -17.612 -6.322 1.505 1.00 0.00 S ATOM 0 H CYS A 122 -15.679 -7.090 2.921 1.00 0.00 H new ATOM 0 HA CYS A 122 -14.603 -4.379 2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -16.995 -3.974 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -15.929 -4.889 0.500 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.470 -6.207 0.536 1.00 0.00 H new ATOM 1838 N GLY A 123 -16.636 -3.413 3.914 1.00 0.00 N ATOM 1839 CA GLY A 123 -17.242 -2.863 5.114 1.00 0.00 C ATOM 1840 C GLY A 123 -16.794 -1.417 5.341 1.00 0.00 C ATOM 1841 O GLY A 123 -15.626 -1.086 5.140 1.00 0.00 O ATOM 0 H GLY A 123 -16.728 -2.829 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -18.328 -2.902 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.969 -3.472 5.976 1.00 0.00 H new ATOM 1845 N SER A 124 -17.746 -0.595 5.756 1.00 0.00 N ATOM 1846 CA SER A 124 -17.464 0.808 6.012 1.00 0.00 C ATOM 1847 C SER A 124 -16.135 0.947 6.757 1.00 0.00 C ATOM 1848 O SER A 124 -15.400 1.910 6.546 1.00 0.00 O ATOM 1849 CB SER A 124 -18.593 1.459 6.814 1.00 0.00 C ATOM 1850 OG SER A 124 -19.001 0.651 7.915 1.00 0.00 O ATOM 0 H SER A 124 -18.713 -0.873 5.922 1.00 0.00 H new ATOM 0 HA SER A 124 -17.392 1.323 5.054 1.00 0.00 H new ATOM 0 HB2 SER A 124 -18.263 2.431 7.180 1.00 0.00 H new ATOM 0 HB3 SER A 124 -19.446 1.638 6.160 1.00 0.00 H new ATOM 0 HG SER A 124 -19.722 1.102 8.402 1.00 0.00 H new ATOM 1856 N SER A 125 -15.868 -0.028 7.613 1.00 0.00 N ATOM 1857 CA SER A 125 -14.641 -0.027 8.391 1.00 0.00 C ATOM 1858 C SER A 125 -13.839 -1.298 8.106 1.00 0.00 C ATOM 1859 O SER A 125 -14.397 -2.394 8.073 1.00 0.00 O ATOM 1860 CB SER A 125 -14.937 0.090 9.887 1.00 0.00 C ATOM 1861 OG SER A 125 -14.615 1.381 10.396 1.00 0.00 O ATOM 0 H SER A 125 -16.481 -0.825 7.785 1.00 0.00 H new ATOM 0 HA SER A 125 -14.051 0.841 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 125 -15.992 -0.117 10.065 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.368 -0.666 10.429 1.00 0.00 H new ATOM 0 HG SER A 125 -14.820 1.416 11.354 1.00 0.00 H new ATOM 1867 N LEU A 126 -12.543 -1.110 7.907 1.00 0.00 N ATOM 1868 CA LEU A 126 -11.659 -2.228 7.625 1.00 0.00 C ATOM 1869 C LEU A 126 -10.388 -2.092 8.466 1.00 0.00 C ATOM 1870 O LEU A 126 -9.971 -0.981 8.792 1.00 0.00 O ATOM 1871 CB LEU A 126 -11.394 -2.337 6.123 1.00 0.00 C ATOM 1872 CG LEU A 126 -12.584 -2.041 5.208 1.00 0.00 C ATOM 1873 CD1 LEU A 126 -12.165 -1.162 4.029 1.00 0.00 C ATOM 1874 CD2 LEU A 126 -13.257 -3.336 4.748 1.00 0.00 C ATOM 0 H LEU A 126 -12.084 -0.200 7.935 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.131 -3.168 7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -10.585 -1.653 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.039 -3.345 5.909 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.323 -1.480 5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.030 -0.967 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.768 -0.218 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.397 -1.674 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.100 -3.097 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -12.538 -3.945 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.614 -3.889 5.617 1.00 0.00 H new ATOM 1886 N ARG A 127 -9.807 -3.237 8.793 1.00 0.00 N ATOM 1887 CA ARG A 127 -8.591 -3.259 9.589 1.00 0.00 C ATOM 1888 C ARG A 127 -7.630 -4.325 9.060 1.00 0.00 C ATOM 1889 O ARG A 127 -7.850 -5.519 9.261 1.00 0.00 O ATOM 1890 CB ARG A 127 -8.902 -3.545 11.059 1.00 0.00 C ATOM 1891 CG ARG A 127 -7.897 -2.847 11.978 1.00 0.00 C ATOM 1892 CD ARG A 127 -8.188 -3.159 13.447 1.00 0.00 C ATOM 1893 NE ARG A 127 -7.134 -4.041 13.996 1.00 0.00 N ATOM 1894 CZ ARG A 127 -5.953 -3.605 14.454 1.00 0.00 C ATOM 1895 NH1 ARG A 127 -5.667 -2.296 14.431 1.00 0.00 N ATOM 1896 NH2 ARG A 127 -5.056 -4.478 14.934 1.00 0.00 N ATOM 0 H ARG A 127 -10.156 -4.156 8.521 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.125 -2.276 9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.911 -3.206 11.294 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -8.877 -4.620 11.237 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.886 -3.168 11.728 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.938 -1.770 11.816 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.235 -2.234 14.021 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -9.161 -3.641 13.539 1.00 0.00 H new ATOM 0 HE ARG A 127 -7.318 -5.044 14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -6.349 -1.631 14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -4.768 -1.964 14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.273 -5.475 14.951 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -4.157 -4.146 15.283 1.00 0.00 H new ATOM 1910 N THR A 128 -6.585 -3.857 8.395 1.00 0.00 N ATOM 1911 CA THR A 128 -5.589 -4.755 7.836 1.00 0.00 C ATOM 1912 C THR A 128 -4.292 -4.684 8.645 1.00 0.00 C ATOM 1913 O THR A 128 -4.054 -3.710 9.358 1.00 0.00 O ATOM 1914 CB THR A 128 -5.405 -4.398 6.360 1.00 0.00 C ATOM 1915 OG1 THR A 128 -6.635 -4.784 5.753 1.00 0.00 O ATOM 1916 CG2 THR A 128 -4.358 -5.275 5.671 1.00 0.00 C ATOM 0 H THR A 128 -6.406 -2.866 8.230 1.00 0.00 H new ATOM 0 HA THR A 128 -5.915 -5.793 7.896 1.00 0.00 H new ATOM 0 HB THR A 128 -5.114 -3.351 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 128 -6.462 -5.458 5.063 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.267 -4.980 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 128 -3.396 -5.152 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.664 -6.320 5.727 1.00 0.00 H new ATOM 1924 N ALA A 129 -3.488 -5.728 8.507 1.00 0.00 N ATOM 1925 CA ALA A 129 -2.222 -5.795 9.217 1.00 0.00 C ATOM 1926 C ALA A 129 -1.302 -6.796 8.514 1.00 0.00 C ATOM 1927 O ALA A 129 -1.767 -7.645 7.755 1.00 0.00 O ATOM 1928 CB ALA A 129 -2.475 -6.163 10.680 1.00 0.00 C ATOM 0 H ALA A 129 -3.688 -6.534 7.915 1.00 0.00 H new ATOM 0 HA ALA A 129 -1.724 -4.825 9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -1.525 -6.213 11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.110 -5.406 11.141 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.971 -7.132 10.731 1.00 0.00 H new ATOM 1934 N LEU A 130 -0.013 -6.663 8.793 1.00 0.00 N ATOM 1935 CA LEU A 130 0.976 -7.546 8.197 1.00 0.00 C ATOM 1936 C LEU A 130 1.784 -8.221 9.307 1.00 0.00 C ATOM 1937 O LEU A 130 2.238 -7.560 10.240 1.00 0.00 O ATOM 1938 CB LEU A 130 1.835 -6.783 7.187 1.00 0.00 C ATOM 1939 CG LEU A 130 3.042 -7.539 6.628 1.00 0.00 C ATOM 1940 CD1 LEU A 130 2.621 -8.491 5.506 1.00 0.00 C ATOM 1941 CD2 LEU A 130 4.135 -6.568 6.176 1.00 0.00 C ATOM 0 H LEU A 130 0.369 -5.958 9.423 1.00 0.00 H new ATOM 0 HA LEU A 130 0.488 -8.339 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.200 -6.484 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.192 -5.868 7.661 1.00 0.00 H new ATOM 0 HG LEU A 130 3.463 -8.149 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.498 -9.016 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.904 -9.215 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 130 2.161 -7.921 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 130 4.982 -7.131 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.741 -5.914 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.461 -5.967 7.025 1.00 0.00 H new ATOM 1953 N ILE A 131 1.941 -9.529 9.169 1.00 0.00 N ATOM 1954 CA ILE A 131 2.687 -10.301 10.148 1.00 0.00 C ATOM 1955 C ILE A 131 3.925 -10.904 9.481 1.00 0.00 C ATOM 1956 O ILE A 131 3.898 -11.229 8.295 1.00 0.00 O ATOM 1957 CB ILE A 131 1.782 -11.339 10.815 1.00 0.00 C ATOM 1958 CG1 ILE A 131 0.420 -10.735 11.164 1.00 0.00 C ATOM 1959 CG2 ILE A 131 2.464 -11.957 12.037 1.00 0.00 C ATOM 1960 CD1 ILE A 131 0.567 -9.601 12.181 1.00 0.00 C ATOM 0 H ILE A 131 1.564 -10.074 8.394 1.00 0.00 H new ATOM 0 HA ILE A 131 3.040 -9.655 10.952 1.00 0.00 H new ATOM 0 HB ILE A 131 1.605 -12.145 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -0.057 -10.357 10.259 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -0.232 -11.509 11.569 1.00 0.00 H new ATOM 0 HG21 ILE A 131 1.799 -12.691 12.492 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.388 -12.446 11.729 1.00 0.00 H new ATOM 0 HG23 ILE A 131 2.691 -11.175 12.761 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -0.416 -9.189 12.412 1.00 0.00 H new ATOM 0 HD12 ILE A 131 1.022 -9.987 13.093 1.00 0.00 H new ATOM 0 HD13 ILE A 131 1.200 -8.818 11.764 1.00 0.00 H new ATOM 1972 N ASN A 132 4.980 -11.035 10.271 1.00 0.00 N ATOM 1973 CA ASN A 132 6.225 -11.593 9.772 1.00 0.00 C ATOM 1974 C ASN A 132 6.332 -13.057 10.203 1.00 0.00 C ATOM 1975 O ASN A 132 5.377 -13.624 10.731 1.00 0.00 O ATOM 1976 CB ASN A 132 7.431 -10.843 10.340 1.00 0.00 C ATOM 1977 CG ASN A 132 7.449 -10.911 11.868 1.00 0.00 C ATOM 1978 OD1 ASN A 132 8.026 -11.802 12.469 1.00 0.00 O ATOM 1979 ND2 ASN A 132 6.787 -9.921 12.461 1.00 0.00 N ATOM 0 H ASN A 132 4.998 -10.764 11.254 1.00 0.00 H new ATOM 0 HA ASN A 132 6.223 -11.503 8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 132 8.351 -11.272 9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 132 7.400 -9.802 10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 132 6.741 -9.876 13.479 1.00 0.00 H new ATOM 0 HD22 ASN A 132 6.326 -9.207 11.898 1.00 0.00 H new ATOM 1986 N SER A 133 7.503 -13.627 9.962 1.00 0.00 N ATOM 1987 CA SER A 133 7.748 -15.014 10.319 1.00 0.00 C ATOM 1988 C SER A 133 7.031 -15.352 11.627 1.00 0.00 C ATOM 1989 O SER A 133 6.197 -16.256 11.667 1.00 0.00 O ATOM 1990 CB SER A 133 9.247 -15.294 10.448 1.00 0.00 C ATOM 1991 OG SER A 133 9.768 -14.846 11.696 1.00 0.00 O ATOM 0 H SER A 133 8.293 -13.154 9.524 1.00 0.00 H new ATOM 0 HA SER A 133 7.355 -15.646 9.523 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.426 -16.364 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.779 -14.801 9.635 1.00 0.00 H new ATOM 0 HG SER A 133 10.727 -15.044 11.740 1.00 0.00 H new ATOM 1997 N THR A 134 7.381 -14.608 12.666 1.00 0.00 N ATOM 1998 CA THR A 134 6.781 -14.817 13.973 1.00 0.00 C ATOM 1999 C THR A 134 5.420 -14.122 14.052 1.00 0.00 C ATOM 2000 O THR A 134 5.133 -13.219 13.268 1.00 0.00 O ATOM 2001 CB THR A 134 7.773 -14.333 15.032 1.00 0.00 C ATOM 2002 OG1 THR A 134 7.036 -14.391 16.250 1.00 0.00 O ATOM 2003 CG2 THR A 134 8.120 -12.851 14.876 1.00 0.00 C ATOM 0 H THR A 134 8.073 -13.859 12.629 1.00 0.00 H new ATOM 0 HA THR A 134 6.582 -15.874 14.153 1.00 0.00 H new ATOM 0 HB THR A 134 8.685 -14.927 14.973 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.605 -14.095 16.991 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.827 -12.559 15.652 1.00 0.00 H new ATOM 0 HG22 THR A 134 8.567 -12.683 13.896 1.00 0.00 H new ATOM 0 HG23 THR A 134 7.213 -12.253 14.968 1.00 0.00 H new ATOM 2011 N GLY A 135 4.618 -14.569 15.007 1.00 0.00 N ATOM 2012 CA GLY A 135 3.294 -14.002 15.200 1.00 0.00 C ATOM 2013 C GLY A 135 3.384 -12.560 15.704 1.00 0.00 C ATOM 2014 O GLY A 135 2.903 -12.248 16.792 1.00 0.00 O ATOM 0 H GLY A 135 4.860 -15.318 15.656 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.742 -14.029 14.260 1.00 0.00 H new ATOM 0 HA3 GLY A 135 2.736 -14.607 15.915 1.00 0.00 H new ATOM 2018 N GLU A 136 4.003 -11.719 14.888 1.00 0.00 N ATOM 2019 CA GLU A 136 4.163 -10.318 15.238 1.00 0.00 C ATOM 2020 C GLU A 136 3.885 -9.432 14.022 1.00 0.00 C ATOM 2021 O GLU A 136 4.288 -9.759 12.906 1.00 0.00 O ATOM 2022 CB GLU A 136 5.558 -10.049 15.805 1.00 0.00 C ATOM 2023 CG GLU A 136 5.904 -8.561 15.728 1.00 0.00 C ATOM 2024 CD GLU A 136 7.279 -8.285 16.340 1.00 0.00 C ATOM 2025 OE1 GLU A 136 7.553 -8.873 17.408 1.00 0.00 O ATOM 2026 OE2 GLU A 136 8.025 -7.493 15.725 1.00 0.00 O ATOM 0 H GLU A 136 4.400 -11.981 13.986 1.00 0.00 H new ATOM 0 HA GLU A 136 3.439 -10.073 16.015 1.00 0.00 H new ATOM 0 HB2 GLU A 136 5.604 -10.383 16.841 1.00 0.00 H new ATOM 0 HB3 GLU A 136 6.297 -10.627 15.251 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.893 -8.235 14.688 1.00 0.00 H new ATOM 0 HG3 GLU A 136 5.145 -7.980 16.252 1.00 0.00 H new ATOM 2033 N GLU A 137 3.199 -8.328 14.278 1.00 0.00 N ATOM 2034 CA GLU A 137 2.862 -7.393 13.217 1.00 0.00 C ATOM 2035 C GLU A 137 4.021 -6.423 12.978 1.00 0.00 C ATOM 2036 O GLU A 137 4.743 -6.072 13.910 1.00 0.00 O ATOM 2037 CB GLU A 137 1.572 -6.638 13.541 1.00 0.00 C ATOM 2038 CG GLU A 137 1.340 -5.498 12.547 1.00 0.00 C ATOM 2039 CD GLU A 137 0.195 -4.593 13.008 1.00 0.00 C ATOM 2040 OE1 GLU A 137 -0.960 -5.068 12.955 1.00 0.00 O ATOM 2041 OE2 GLU A 137 0.501 -3.447 13.403 1.00 0.00 O ATOM 0 H GLU A 137 2.867 -8.060 15.204 1.00 0.00 H new ATOM 0 HA GLU A 137 2.692 -7.958 12.301 1.00 0.00 H new ATOM 0 HB2 GLU A 137 0.727 -7.326 13.514 1.00 0.00 H new ATOM 0 HB3 GLU A 137 1.625 -6.238 14.553 1.00 0.00 H new ATOM 0 HG2 GLU A 137 2.252 -4.911 12.442 1.00 0.00 H new ATOM 0 HG3 GLU A 137 1.110 -5.909 11.564 1.00 0.00 H new ATOM 2048 N VAL A 138 4.162 -6.018 11.725 1.00 0.00 N ATOM 2049 CA VAL A 138 5.221 -5.095 11.351 1.00 0.00 C ATOM 2050 C VAL A 138 4.601 -3.780 10.876 1.00 0.00 C ATOM 2051 O VAL A 138 5.145 -2.706 11.129 1.00 0.00 O ATOM 2052 CB VAL A 138 6.132 -5.740 10.304 1.00 0.00 C ATOM 2053 CG1 VAL A 138 7.117 -6.710 10.958 1.00 0.00 C ATOM 2054 CG2 VAL A 138 5.310 -6.440 9.219 1.00 0.00 C ATOM 0 H VAL A 138 3.561 -6.312 10.955 1.00 0.00 H new ATOM 0 HA VAL A 138 5.849 -4.866 12.212 1.00 0.00 H new ATOM 0 HB VAL A 138 6.709 -4.948 9.828 1.00 0.00 H new ATOM 0 HG11 VAL A 138 7.753 -7.155 10.192 1.00 0.00 H new ATOM 0 HG12 VAL A 138 7.736 -6.171 11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.565 -7.496 11.473 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.981 -6.890 8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 138 4.695 -7.217 9.673 1.00 0.00 H new ATOM 0 HG23 VAL A 138 4.668 -5.712 8.723 1.00 0.00 H new ATOM 2064 N ALA A 139 3.471 -3.907 10.196 1.00 0.00 N ATOM 2065 CA ALA A 139 2.771 -2.742 9.683 1.00 0.00 C ATOM 2066 C ALA A 139 1.262 -2.977 9.774 1.00 0.00 C ATOM 2067 O ALA A 139 0.811 -4.120 9.826 1.00 0.00 O ATOM 2068 CB ALA A 139 3.232 -2.458 8.251 1.00 0.00 C ATOM 0 H ALA A 139 3.023 -4.799 9.988 1.00 0.00 H new ATOM 0 HA ALA A 139 3.004 -1.861 10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.707 -1.584 7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.305 -2.268 8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.013 -3.320 7.621 1.00 0.00 H new ATOM 2074 N MET A 140 0.524 -1.877 9.790 1.00 0.00 N ATOM 2075 CA MET A 140 -0.925 -1.950 9.874 1.00 0.00 C ATOM 2076 C MET A 140 -1.580 -0.933 8.936 1.00 0.00 C ATOM 2077 O MET A 140 -1.044 0.153 8.720 1.00 0.00 O ATOM 2078 CB MET A 140 -1.368 -1.676 11.313 1.00 0.00 C ATOM 2079 CG MET A 140 -1.270 -0.186 11.643 1.00 0.00 C ATOM 2080 SD MET A 140 -1.881 0.116 13.293 1.00 0.00 S ATOM 2081 CE MET A 140 -3.568 0.564 12.922 1.00 0.00 C ATOM 0 H MET A 140 0.902 -0.931 9.746 1.00 0.00 H new ATOM 0 HA MET A 140 -1.238 -2.950 9.572 1.00 0.00 H new ATOM 0 HB2 MET A 140 -2.394 -2.016 11.452 1.00 0.00 H new ATOM 0 HB3 MET A 140 -0.747 -2.247 12.003 1.00 0.00 H new ATOM 0 HG2 MET A 140 -0.235 0.145 11.564 1.00 0.00 H new ATOM 0 HG3 MET A 140 -1.846 0.393 10.921 1.00 0.00 H new ATOM 0 HE1 MET A 140 -4.098 0.786 13.848 1.00 0.00 H new ATOM 0 HE2 MET A 140 -3.578 1.444 12.278 1.00 0.00 H new ATOM 0 HE3 MET A 140 -4.061 -0.264 12.412 1.00 0.00 H new ATOM 2091 N ARG A 141 -2.730 -1.322 8.405 1.00 0.00 N ATOM 2092 CA ARG A 141 -3.463 -0.458 7.495 1.00 0.00 C ATOM 2093 C ARG A 141 -4.959 -0.501 7.814 1.00 0.00 C ATOM 2094 O ARG A 141 -5.642 -1.468 7.477 1.00 0.00 O ATOM 2095 CB ARG A 141 -3.246 -0.879 6.040 1.00 0.00 C ATOM 2096 CG ARG A 141 -4.042 0.014 5.087 1.00 0.00 C ATOM 2097 CD ARG A 141 -3.324 0.158 3.743 1.00 0.00 C ATOM 2098 NE ARG A 141 -2.152 1.050 3.888 1.00 0.00 N ATOM 2099 CZ ARG A 141 -2.221 2.388 3.880 1.00 0.00 C ATOM 2100 NH1 ARG A 141 -3.405 2.997 3.734 1.00 0.00 N ATOM 2101 NH2 ARG A 141 -1.105 3.117 4.018 1.00 0.00 N ATOM 0 H ARG A 141 -3.172 -2.223 8.587 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.088 0.557 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -2.185 -0.823 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -3.549 -1.918 5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -5.034 -0.409 4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -4.182 0.997 5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -3.004 -0.821 3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -4.009 0.562 2.997 1.00 0.00 H new ATOM 0 HE ARG A 141 -1.234 0.619 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -4.254 2.442 3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.457 4.016 3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.203 2.653 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.157 4.136 4.012 1.00 0.00 H new ATOM 2115 N LYS A 142 -5.425 0.558 8.458 1.00 0.00 N ATOM 2116 CA LYS A 142 -6.828 0.654 8.825 1.00 0.00 C ATOM 2117 C LYS A 142 -7.524 1.660 7.906 1.00 0.00 C ATOM 2118 O LYS A 142 -7.025 2.764 7.697 1.00 0.00 O ATOM 2119 CB LYS A 142 -6.971 0.980 10.314 1.00 0.00 C ATOM 2120 CG LYS A 142 -8.439 1.184 10.691 1.00 0.00 C ATOM 2121 CD LYS A 142 -8.568 2.068 11.934 1.00 0.00 C ATOM 2122 CE LYS A 142 -9.752 1.629 12.798 1.00 0.00 C ATOM 2123 NZ LYS A 142 -9.533 2.014 14.211 1.00 0.00 N ATOM 0 H LYS A 142 -4.856 1.358 8.736 1.00 0.00 H new ATOM 0 HA LYS A 142 -7.325 -0.305 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -6.548 0.171 10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -6.403 1.880 10.549 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -8.972 1.642 9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.908 0.218 10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -7.649 2.018 12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.698 3.108 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.669 2.087 12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -9.883 0.549 12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -10.346 1.709 14.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -8.668 1.557 14.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -9.431 3.047 14.278 1.00 0.00 H new ATOM 2137 N LEU A 143 -8.666 1.241 7.382 1.00 0.00 N ATOM 2138 CA LEU A 143 -9.436 2.091 6.490 1.00 0.00 C ATOM 2139 C LEU A 143 -10.835 2.302 7.073 1.00 0.00 C ATOM 2140 O LEU A 143 -11.580 1.343 7.270 1.00 0.00 O ATOM 2141 CB LEU A 143 -9.441 1.515 5.072 1.00 0.00 C ATOM 2142 CG LEU A 143 -8.380 2.068 4.119 1.00 0.00 C ATOM 2143 CD1 LEU A 143 -8.847 3.376 3.477 1.00 0.00 C ATOM 2144 CD2 LEU A 143 -7.034 2.227 4.830 1.00 0.00 C ATOM 0 H LEU A 143 -9.077 0.324 7.558 1.00 0.00 H new ATOM 0 HA LEU A 143 -8.973 3.074 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -9.312 0.435 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -10.423 1.692 4.633 1.00 0.00 H new ATOM 0 HG LEU A 143 -8.236 1.348 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -8.074 3.747 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -9.763 3.198 2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -9.037 4.116 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -6.297 2.622 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -7.144 2.916 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -6.701 1.257 5.199 1.00 0.00 H new ATOM 2156 N VAL A 144 -11.149 3.562 7.333 1.00 0.00 N ATOM 2157 CA VAL A 144 -12.445 3.910 7.891 1.00 0.00 C ATOM 2158 C VAL A 144 -13.214 4.769 6.884 1.00 0.00 C ATOM 2159 O VAL A 144 -12.643 5.661 6.260 1.00 0.00 O ATOM 2160 CB VAL A 144 -12.265 4.596 9.246 1.00 0.00 C ATOM 2161 CG1 VAL A 144 -13.573 4.592 10.041 1.00 0.00 C ATOM 2162 CG2 VAL A 144 -11.136 3.942 10.045 1.00 0.00 C ATOM 0 H VAL A 144 -10.529 4.355 7.168 1.00 0.00 H new ATOM 0 HA VAL A 144 -13.036 3.012 8.073 1.00 0.00 H new ATOM 0 HB VAL A 144 -11.988 5.634 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -13.417 5.086 11.000 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -14.342 5.124 9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -13.893 3.564 10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -11.029 4.448 11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -11.371 2.891 10.214 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -10.203 4.020 9.487 1.00 0.00 H new ATOM 2172 N ARG A 145 -14.498 4.468 6.758 1.00 0.00 N ATOM 2173 CA ARG A 145 -15.351 5.201 5.838 1.00 0.00 C ATOM 2174 C ARG A 145 -16.175 6.245 6.595 1.00 0.00 C ATOM 2175 O ARG A 145 -16.638 5.990 7.705 1.00 0.00 O ATOM 2176 CB ARG A 145 -16.298 4.257 5.094 1.00 0.00 C ATOM 2177 CG ARG A 145 -17.275 5.041 4.215 1.00 0.00 C ATOM 2178 CD ARG A 145 -18.255 4.101 3.511 1.00 0.00 C ATOM 2179 NE ARG A 145 -19.299 4.886 2.814 1.00 0.00 N ATOM 2180 CZ ARG A 145 -20.308 4.344 2.119 1.00 0.00 C ATOM 2181 NH1 ARG A 145 -20.416 3.012 2.023 1.00 0.00 N ATOM 2182 NH2 ARG A 145 -21.208 5.134 1.519 1.00 0.00 N ATOM 0 H ARG A 145 -14.968 3.727 7.277 1.00 0.00 H new ATOM 0 HA ARG A 145 -14.706 5.697 5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -15.720 3.568 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -16.853 3.653 5.812 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -17.826 5.756 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -16.721 5.616 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -17.721 3.475 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -18.716 3.432 4.238 1.00 0.00 H new ATOM 0 HE ARG A 145 -19.247 5.903 2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -19.730 2.411 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -21.184 2.599 1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -21.125 6.148 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -21.976 4.722 0.990 1.00 0.00 H new