USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 635 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 191 GLN : amide:sc= -0.856! X(o=-0.21!,f=0.26) USER MOD Set 1.2: A 193 TYR OH : rot -79:sc= 0.647 USER MOD Set 2.1: A 178 CYS SG : rot -27:sc= 0.306 USER MOD Set 2.2: A 181 GLN :FLIP amide:sc= -0.0457 F(o=-2.4!,f=0.26) USER MOD Set 3.1: A 113 CYS SG : rot 133:sc=-0.000432 USER MOD Set 3.2: A 194 TYR OH : rot 126:sc= 0.356 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 48:sc= 0.0686 USER MOD Single : A 101 LYS NZ :NH3+ -172:sc= 0.247! (180deg=0.134!) USER MOD Single : A 103 LYS NZ :NH3+ 140:sc= 0.674 (180deg=0.465) USER MOD Single : A 104 MET CE :methyl -147:sc= -3! (180deg=-3.93!) USER MOD Single : A 167 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 170 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00503) USER MOD Single : A 171 TYR OH : rot 30:sc= 0 USER MOD Single : A 176 CYS SG : rot 121:sc= 0.466 USER MOD Single : A 177 SER OG : rot 141:sc= 1.25 USER MOD Single : A 182 ASN : amide:sc= -9.51! C(o=-9.5!,f=-13!) USER MOD Single : A 184 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 185 MET CE :methyl 144:sc= -0.856 (180deg=-1.24) USER MOD Single : A 186 CYS SG : rot 180:sc= -0.661 USER MOD Single : A 187 GLN : amide:sc= 0.0347 K(o=0.035,f=-0.58) USER MOD Single : A 189 SER OG : rot -48:sc= 0.274 USER MOD Single : A 195 LYS NZ :NH3+ -162:sc= -0.0525 (180deg=-0.395) USER MOD Single : A 198 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.14) USER MOD Single : A 209 HIS : no HD1:sc= -0.365 X(o=-0.36,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.752 4.409 4.128 1.00 1.90 N ATOM 389 CA ILE A 78 -6.597 3.589 4.461 1.00 1.74 C ATOM 390 C ILE A 78 -5.838 4.189 5.643 1.00 1.48 C ATOM 391 O ILE A 78 -5.365 5.324 5.568 1.00 1.42 O ATOM 392 CB ILE A 78 -5.640 3.460 3.254 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.391 2.898 2.041 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.452 2.571 3.604 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.574 2.905 0.766 1.00 2.45 C ATOM 0 HA ILE A 78 -6.963 2.598 4.729 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.263 4.451 3.003 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -6.702 1.876 2.258 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.299 3.481 1.884 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.790 2.492 2.742 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.907 3.006 4.442 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.809 1.578 3.879 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.169 2.494 -0.050 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.285 3.928 0.524 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -4.679 2.298 0.904 1.00 2.45 H new ATOM 407 N PRO A 79 -5.732 3.441 6.754 1.00 1.44 N ATOM 408 CA PRO A 79 -5.006 3.893 7.944 1.00 1.27 C ATOM 409 C PRO A 79 -3.509 4.026 7.687 1.00 1.11 C ATOM 410 O PRO A 79 -2.843 3.055 7.321 1.00 1.23 O ATOM 411 CB PRO A 79 -5.263 2.791 8.983 1.00 1.50 C ATOM 412 CG PRO A 79 -6.398 1.988 8.442 1.00 1.75 C ATOM 413 CD PRO A 79 -6.317 2.106 6.949 1.00 1.70 C ATOM 0 HA PRO A 79 -5.341 4.880 8.264 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.377 2.172 9.125 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.513 3.218 9.954 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -6.323 0.947 8.755 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.352 2.364 8.811 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -5.693 1.325 6.516 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.299 2.024 6.484 1.00 1.70 H new ATOM 421 N ILE A 80 -2.987 5.229 7.869 1.00 0.93 N ATOM 422 CA ILE A 80 -1.564 5.475 7.712 1.00 0.82 C ATOM 423 C ILE A 80 -0.945 5.831 9.063 1.00 0.72 C ATOM 424 O ILE A 80 -1.575 6.508 9.881 1.00 0.74 O ATOM 425 CB ILE A 80 -1.258 6.599 6.680 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.746 7.977 7.161 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.884 6.264 5.336 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.236 8.201 7.013 1.00 0.99 C ATOM 0 H ILE A 80 -3.531 6.053 8.127 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.122 4.556 7.327 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.175 6.654 6.573 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.475 8.099 8.210 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.218 8.751 6.604 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.662 7.058 4.623 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.475 5.323 4.969 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.964 6.170 5.451 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.492 9.196 7.376 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.514 8.115 5.963 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.776 7.453 7.594 1.00 0.99 H new ATOM 440 N PRO A 81 0.280 5.349 9.328 1.00 0.68 N ATOM 441 CA PRO A 81 0.998 5.647 10.570 1.00 0.67 C ATOM 442 C PRO A 81 1.137 7.148 10.808 1.00 0.64 C ATOM 443 O PRO A 81 1.322 7.924 9.870 1.00 0.61 O ATOM 444 CB PRO A 81 2.374 5.009 10.359 1.00 0.69 C ATOM 445 CG PRO A 81 2.145 3.946 9.343 1.00 0.71 C ATOM 446 CD PRO A 81 1.053 4.458 8.446 1.00 0.73 C ATOM 0 HA PRO A 81 0.471 5.264 11.444 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.101 5.742 10.009 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.764 4.592 11.288 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.054 3.746 8.776 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.853 3.009 9.818 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.456 4.994 7.587 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.439 3.646 8.056 1.00 0.73 H new ATOM 454 N ALA A 82 1.070 7.535 12.077 1.00 0.75 N ATOM 455 CA ALA A 82 1.053 8.941 12.477 1.00 0.80 C ATOM 456 C ALA A 82 2.330 9.669 12.085 1.00 0.71 C ATOM 457 O ALA A 82 2.392 10.894 12.129 1.00 0.78 O ATOM 458 CB ALA A 82 0.857 9.042 13.977 1.00 1.04 C ATOM 0 H ALA A 82 1.026 6.883 12.860 1.00 0.75 H new ATOM 0 HA ALA A 82 0.226 9.419 11.952 1.00 0.80 H new ATOM 0 HB1 ALA A 82 0.845 10.091 14.273 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -0.089 8.576 14.252 1.00 1.04 H new ATOM 0 HB3 ALA A 82 1.674 8.531 14.486 1.00 1.04 H new ATOM 464 N ASP A 83 3.341 8.907 11.707 1.00 0.67 N ATOM 465 CA ASP A 83 4.644 9.455 11.359 1.00 0.70 C ATOM 466 C ASP A 83 4.636 10.036 9.943 1.00 0.55 C ATOM 467 O ASP A 83 5.570 10.732 9.538 1.00 0.60 O ATOM 468 CB ASP A 83 5.702 8.353 11.454 1.00 0.88 C ATOM 469 CG ASP A 83 5.663 7.600 12.771 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.494 7.896 13.654 1.00 1.39 O ATOM 471 OD2 ASP A 83 4.798 6.717 12.939 1.00 1.66 O ATOM 0 H ASP A 83 3.284 7.891 11.632 1.00 0.67 H new ATOM 0 HA ASP A 83 4.878 10.258 12.058 1.00 0.70 H new ATOM 0 HB2 ASP A 83 5.558 7.648 10.635 1.00 0.88 H new ATOM 0 HB3 ASP A 83 6.690 8.794 11.324 1.00 0.88 H new ATOM 476 N PHE A 84 3.559 9.777 9.203 1.00 0.45 N ATOM 477 CA PHE A 84 3.478 10.154 7.792 1.00 0.41 C ATOM 478 C PHE A 84 2.097 10.712 7.498 1.00 0.40 C ATOM 479 O PHE A 84 1.129 10.335 8.155 1.00 0.56 O ATOM 480 CB PHE A 84 3.746 8.942 6.888 1.00 0.42 C ATOM 481 CG PHE A 84 4.866 8.068 7.376 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.601 6.892 8.055 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.184 8.420 7.137 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.631 6.081 8.485 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.217 7.615 7.568 1.00 0.98 C ATOM 486 CZ PHE A 84 6.927 6.466 8.317 1.00 1.00 C ATOM 0 H PHE A 84 2.727 9.306 9.559 1.00 0.45 H new ATOM 0 HA PHE A 84 4.235 10.911 7.589 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.836 8.346 6.813 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.981 9.293 5.883 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.578 6.606 8.250 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.405 9.335 6.607 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.409 5.136 8.957 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.240 7.867 7.331 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.726 5.889 8.758 1.00 1.00 H new ATOM 496 N GLU A 85 1.991 11.622 6.545 1.00 0.39 N ATOM 497 CA GLU A 85 0.701 12.213 6.232 1.00 0.44 C ATOM 498 C GLU A 85 0.366 12.060 4.755 1.00 0.39 C ATOM 499 O GLU A 85 1.197 12.335 3.896 1.00 0.40 O ATOM 500 CB GLU A 85 0.677 13.693 6.599 1.00 0.61 C ATOM 501 CG GLU A 85 -0.720 14.288 6.580 1.00 1.15 C ATOM 502 CD GLU A 85 -1.681 13.514 7.455 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.645 13.704 8.688 1.00 1.88 O ATOM 504 OE2 GLU A 85 -2.467 12.709 6.917 1.00 2.27 O ATOM 0 H GLU A 85 2.770 11.964 5.982 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.046 11.682 6.821 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.107 13.822 7.592 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.310 14.244 5.903 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.677 15.324 6.918 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.094 14.302 5.556 1.00 1.15 H new ATOM 511 N LEU A 86 -0.855 11.645 4.459 1.00 0.41 N ATOM 512 CA LEU A 86 -1.290 11.548 3.077 1.00 0.43 C ATOM 513 C LEU A 86 -1.906 12.860 2.657 1.00 0.44 C ATOM 514 O LEU A 86 -2.866 13.340 3.260 1.00 0.48 O ATOM 515 CB LEU A 86 -2.281 10.405 2.885 1.00 0.52 C ATOM 516 CG LEU A 86 -2.517 9.978 1.429 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.032 8.556 1.382 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.501 10.905 0.729 1.00 0.70 C ATOM 0 H LEU A 86 -1.555 11.373 5.149 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.423 11.335 2.451 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.927 9.541 3.447 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.237 10.698 3.320 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.563 10.038 0.905 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.196 8.263 0.345 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.300 7.889 1.836 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.972 8.491 1.931 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.645 10.573 -0.299 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.456 10.885 1.254 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.108 11.922 0.731 1.00 0.70 H new ATOM 530 N ARG A 87 -1.349 13.422 1.613 1.00 0.47 N ATOM 531 CA ARG A 87 -1.740 14.735 1.145 1.00 0.55 C ATOM 532 C ARG A 87 -1.602 14.795 -0.358 1.00 0.61 C ATOM 533 O ARG A 87 -0.529 14.508 -0.895 1.00 0.66 O ATOM 534 CB ARG A 87 -0.850 15.812 1.771 1.00 0.62 C ATOM 535 CG ARG A 87 -1.041 16.014 3.260 1.00 0.69 C ATOM 536 CD ARG A 87 -2.398 16.605 3.554 1.00 1.04 C ATOM 537 NE ARG A 87 -2.533 16.995 4.955 1.00 1.63 N ATOM 538 CZ ARG A 87 -3.654 17.478 5.486 1.00 2.32 C ATOM 539 NH1 ARG A 87 -4.746 17.602 4.741 1.00 2.62 N ATOM 540 NH2 ARG A 87 -3.685 17.822 6.766 1.00 3.21 N ATOM 0 H ARG A 87 -0.611 12.985 1.061 1.00 0.47 H new ATOM 0 HA ARG A 87 -2.776 14.915 1.434 1.00 0.55 H new ATOM 0 HB2 ARG A 87 0.193 15.554 1.585 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.039 16.758 1.264 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -0.936 15.060 3.777 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -0.262 16.673 3.645 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -2.560 17.475 2.918 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -3.172 15.879 3.304 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.720 16.891 5.562 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -4.727 17.327 3.759 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -5.604 17.972 5.151 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -2.850 17.716 7.343 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -4.543 18.192 7.174 1.00 3.21 H new ATOM 554 N GLU A 88 -2.674 15.145 -1.041 1.00 0.73 N ATOM 555 CA GLU A 88 -2.604 15.304 -2.478 1.00 0.84 C ATOM 556 C GLU A 88 -1.869 16.592 -2.800 1.00 0.87 C ATOM 557 O GLU A 88 -2.365 17.689 -2.548 1.00 0.98 O ATOM 558 CB GLU A 88 -4.006 15.317 -3.087 1.00 1.06 C ATOM 559 CG GLU A 88 -4.800 14.056 -2.800 1.00 1.61 C ATOM 560 CD GLU A 88 -6.204 14.112 -3.360 1.00 1.96 C ATOM 561 OE1 GLU A 88 -7.045 14.838 -2.793 1.00 2.46 O ATOM 562 OE2 GLU A 88 -6.480 13.418 -4.360 1.00 2.21 O ATOM 0 H GLU A 88 -3.591 15.322 -0.631 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.062 14.462 -2.909 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -4.553 16.177 -2.702 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -3.924 15.448 -4.166 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -4.278 13.198 -3.224 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -4.849 13.899 -1.722 1.00 1.61 H new ATOM 569 N SER A 89 -0.677 16.447 -3.343 1.00 0.85 N ATOM 570 CA SER A 89 0.145 17.582 -3.716 1.00 0.95 C ATOM 571 C SER A 89 0.904 17.250 -4.989 1.00 0.90 C ATOM 572 O SER A 89 1.964 16.625 -4.942 1.00 1.11 O ATOM 573 CB SER A 89 1.118 17.921 -2.585 1.00 1.03 C ATOM 574 OG SER A 89 0.426 18.113 -1.360 1.00 1.58 O ATOM 0 H SER A 89 -0.251 15.541 -3.538 1.00 0.85 H new ATOM 0 HA SER A 89 -0.489 18.451 -3.892 1.00 0.95 H new ATOM 0 HB2 SER A 89 1.846 17.118 -2.474 1.00 1.03 H new ATOM 0 HB3 SER A 89 1.675 18.823 -2.838 1.00 1.03 H new ATOM 0 HG SER A 89 1.068 18.327 -0.651 1.00 1.58 H new ATOM 580 N SER A 90 0.338 17.636 -6.121 1.00 0.86 N ATOM 581 CA SER A 90 0.902 17.288 -7.411 1.00 0.88 C ATOM 582 C SER A 90 2.271 17.932 -7.611 1.00 0.87 C ATOM 583 O SER A 90 2.385 19.125 -7.905 1.00 1.02 O ATOM 584 CB SER A 90 -0.064 17.713 -8.519 1.00 1.13 C ATOM 585 OG SER A 90 -0.581 19.015 -8.276 1.00 1.86 O ATOM 0 H SER A 90 -0.515 18.193 -6.170 1.00 0.86 H new ATOM 0 HA SER A 90 1.044 16.208 -7.450 1.00 0.88 H new ATOM 0 HB2 SER A 90 0.450 17.696 -9.480 1.00 1.13 H new ATOM 0 HB3 SER A 90 -0.885 16.999 -8.584 1.00 1.13 H new ATOM 0 HG SER A 90 0.154 19.621 -8.047 1.00 1.86 H new ATOM 591 N ILE A 91 3.305 17.130 -7.431 1.00 0.86 N ATOM 592 CA ILE A 91 4.657 17.537 -7.741 1.00 1.01 C ATOM 593 C ILE A 91 5.121 16.774 -8.985 1.00 1.09 C ATOM 594 O ILE A 91 5.194 15.540 -8.983 1.00 1.08 O ATOM 595 CB ILE A 91 5.602 17.328 -6.519 1.00 1.10 C ATOM 596 CG1 ILE A 91 7.051 17.774 -6.818 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.560 15.886 -6.035 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.908 16.744 -7.532 1.00 1.45 C ATOM 0 H ILE A 91 3.228 16.181 -7.066 1.00 0.86 H new ATOM 0 HA ILE A 91 4.687 18.605 -7.958 1.00 1.01 H new ATOM 0 HB ILE A 91 5.232 17.967 -5.717 1.00 1.10 H new ATOM 0 HG12 ILE A 91 7.018 18.679 -7.424 1.00 1.35 H new ATOM 0 HG13 ILE A 91 7.535 18.037 -5.877 1.00 1.35 H new ATOM 0 HG21 ILE A 91 6.228 15.769 -5.182 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.543 15.632 -5.737 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.879 15.223 -6.839 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.906 17.151 -7.696 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.980 15.844 -6.921 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.455 16.496 -8.492 1.00 1.45 H new ATOM 610 N PRO A 92 5.410 17.501 -10.075 1.00 1.24 N ATOM 611 CA PRO A 92 5.734 16.898 -11.372 1.00 1.37 C ATOM 612 C PRO A 92 6.948 15.978 -11.302 1.00 1.47 C ATOM 613 O PRO A 92 8.028 16.391 -10.879 1.00 1.61 O ATOM 614 CB PRO A 92 6.022 18.101 -12.277 1.00 1.58 C ATOM 615 CG PRO A 92 6.288 19.235 -11.349 1.00 1.59 C ATOM 616 CD PRO A 92 5.457 18.971 -10.128 1.00 1.37 C ATOM 0 HA PRO A 92 4.922 16.267 -11.734 1.00 1.37 H new ATOM 0 HB2 PRO A 92 6.880 17.911 -12.923 1.00 1.58 H new ATOM 0 HB3 PRO A 92 5.174 18.316 -12.928 1.00 1.58 H new ATOM 0 HG2 PRO A 92 7.347 19.292 -11.096 1.00 1.59 H new ATOM 0 HG3 PRO A 92 6.018 20.186 -11.807 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.911 19.393 -9.231 1.00 1.37 H new ATOM 0 HD3 PRO A 92 4.461 19.404 -10.216 1.00 1.37 H new ATOM 624 N GLY A 93 6.758 14.734 -11.707 1.00 1.47 N ATOM 625 CA GLY A 93 7.840 13.773 -11.705 1.00 1.62 C ATOM 626 C GLY A 93 7.681 12.725 -10.627 1.00 1.58 C ATOM 627 O GLY A 93 8.211 11.620 -10.743 1.00 1.74 O ATOM 0 H GLY A 93 5.866 14.369 -12.040 1.00 1.47 H new ATOM 0 HA2 GLY A 93 7.889 13.284 -12.678 1.00 1.62 H new ATOM 0 HA3 GLY A 93 8.786 14.296 -11.562 1.00 1.62 H new ATOM 631 N ALA A 94 6.937 13.056 -9.582 1.00 1.40 N ATOM 632 CA ALA A 94 6.755 12.135 -8.472 1.00 1.40 C ATOM 633 C ALA A 94 5.301 11.687 -8.349 1.00 1.27 C ATOM 634 O ALA A 94 4.984 10.525 -8.599 1.00 1.38 O ATOM 635 CB ALA A 94 7.244 12.755 -7.171 1.00 1.41 C ATOM 0 H ALA A 94 6.453 13.948 -9.480 1.00 1.40 H new ATOM 0 HA ALA A 94 7.355 11.248 -8.676 1.00 1.40 H new ATOM 0 HB1 ALA A 94 7.098 12.048 -6.354 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.304 12.995 -7.258 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.681 13.666 -6.968 1.00 1.41 H new ATOM 641 N GLY A 95 4.418 12.607 -7.975 1.00 1.09 N ATOM 642 CA GLY A 95 3.019 12.264 -7.806 1.00 1.02 C ATOM 643 C GLY A 95 2.531 12.513 -6.391 1.00 0.91 C ATOM 644 O GLY A 95 3.123 13.308 -5.660 1.00 1.02 O ATOM 0 H GLY A 95 4.646 13.583 -7.786 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.418 12.847 -8.503 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.872 11.214 -8.059 1.00 1.02 H new ATOM 648 N LEU A 96 1.449 11.841 -6.005 1.00 0.79 N ATOM 649 CA LEU A 96 0.878 11.999 -4.669 1.00 0.70 C ATOM 650 C LEU A 96 1.279 10.840 -3.766 1.00 0.65 C ATOM 651 O LEU A 96 1.000 9.681 -4.083 1.00 0.99 O ATOM 652 CB LEU A 96 -0.644 12.055 -4.760 1.00 0.77 C ATOM 653 CG LEU A 96 -1.180 12.813 -5.969 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.697 12.743 -6.013 1.00 2.05 C ATOM 655 CD2 LEU A 96 -0.711 14.254 -5.933 1.00 2.31 C ATOM 0 H LEU A 96 0.949 11.180 -6.600 1.00 0.79 H new ATOM 0 HA LEU A 96 1.261 12.927 -4.244 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -1.031 11.036 -4.785 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.032 12.521 -3.854 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.792 12.345 -6.874 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -3.061 13.290 -6.883 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -3.011 11.702 -6.081 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -3.108 13.187 -5.107 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -1.100 14.785 -6.802 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.074 14.732 -5.023 1.00 2.31 H new ATOM 0 HD23 LEU A 96 0.379 14.283 -5.949 1.00 2.31 H new ATOM 667 N GLY A 97 1.917 11.153 -2.647 1.00 0.59 N ATOM 668 CA GLY A 97 2.344 10.121 -1.726 1.00 0.57 C ATOM 669 C GLY A 97 2.006 10.456 -0.286 1.00 0.52 C ATOM 670 O GLY A 97 1.127 11.286 -0.023 1.00 0.55 O ATOM 0 H GLY A 97 2.146 12.105 -2.361 1.00 0.59 H new ATOM 0 HA2 GLY A 97 1.871 9.177 -1.997 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.420 9.977 -1.820 1.00 0.57 H new ATOM 674 N VAL A 98 2.703 9.818 0.646 1.00 0.48 N ATOM 675 CA VAL A 98 2.513 10.089 2.060 1.00 0.46 C ATOM 676 C VAL A 98 3.761 10.757 2.631 1.00 0.47 C ATOM 677 O VAL A 98 4.788 10.124 2.875 1.00 0.67 O ATOM 678 CB VAL A 98 2.156 8.815 2.869 1.00 0.47 C ATOM 679 CG1 VAL A 98 0.769 8.320 2.495 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.177 7.708 2.654 1.00 0.53 C ATOM 0 H VAL A 98 3.407 9.108 0.444 1.00 0.48 H new ATOM 0 HA VAL A 98 1.663 10.764 2.152 1.00 0.46 H new ATOM 0 HB VAL A 98 2.169 9.084 3.925 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.534 7.425 3.072 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.035 9.096 2.713 1.00 0.49 H new ATOM 0 HG13 VAL A 98 0.742 8.083 1.431 1.00 0.49 H new ATOM 0 HG21 VAL A 98 2.892 6.832 3.237 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.211 7.445 1.597 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.160 8.053 2.974 1.00 0.53 H new ATOM 690 N TRP A 99 3.649 12.050 2.862 1.00 0.38 N ATOM 691 CA TRP A 99 4.788 12.863 3.235 1.00 0.39 C ATOM 692 C TRP A 99 5.041 12.757 4.728 1.00 0.35 C ATOM 693 O TRP A 99 4.147 13.008 5.540 1.00 0.38 O ATOM 694 CB TRP A 99 4.533 14.320 2.840 1.00 0.44 C ATOM 695 CG TRP A 99 3.810 14.455 1.532 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.466 14.619 1.365 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.377 14.419 0.215 1.00 0.62 C ATOM 698 NE1 TRP A 99 2.159 14.694 0.028 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.315 14.574 -0.699 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.673 14.274 -0.283 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.513 14.588 -2.077 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.870 14.288 -1.652 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.795 14.444 -2.535 1.00 1.06 C ATOM 0 H TRP A 99 2.770 12.564 2.797 1.00 0.38 H new ATOM 0 HA TRP A 99 5.672 12.503 2.709 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.951 14.806 3.623 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.486 14.846 2.778 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.747 14.681 2.168 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.224 14.819 -0.360 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.509 14.153 0.390 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.685 14.708 -2.760 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.869 14.177 -2.046 1.00 1.13 H new ATOM 0 HH2 TRP A 99 4.981 14.451 -3.599 1.00 1.06 H new ATOM 714 N ALA A 100 6.247 12.350 5.087 1.00 0.39 N ATOM 715 CA ALA A 100 6.635 12.248 6.483 1.00 0.42 C ATOM 716 C ALA A 100 6.576 13.618 7.152 1.00 0.43 C ATOM 717 O ALA A 100 7.274 14.546 6.741 1.00 0.49 O ATOM 718 CB ALA A 100 8.031 11.647 6.597 1.00 0.54 C ATOM 0 H ALA A 100 6.977 12.084 4.427 1.00 0.39 H new ATOM 0 HA ALA A 100 5.935 11.589 6.997 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.312 11.575 7.648 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.036 10.652 6.151 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.745 12.283 6.074 1.00 0.54 H new ATOM 724 N LYS A 101 5.714 13.754 8.160 1.00 0.47 N ATOM 725 CA LYS A 101 5.597 15.008 8.903 1.00 0.57 C ATOM 726 C LYS A 101 6.730 15.142 9.915 1.00 0.56 C ATOM 727 O LYS A 101 6.813 16.127 10.649 1.00 0.63 O ATOM 728 CB LYS A 101 4.245 15.089 9.621 1.00 0.69 C ATOM 729 CG LYS A 101 4.010 13.959 10.616 1.00 1.17 C ATOM 730 CD LYS A 101 3.017 12.933 10.090 1.00 0.84 C ATOM 731 CE LYS A 101 1.628 13.516 9.979 1.00 0.88 C ATOM 732 NZ LYS A 101 0.587 12.503 9.668 1.00 1.68 N ATOM 0 H LYS A 101 5.089 13.014 8.480 1.00 0.47 H new ATOM 0 HA LYS A 101 5.665 15.829 8.189 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.179 16.042 10.145 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.448 15.078 8.878 1.00 0.69 H new ATOM 0 HG2 LYS A 101 4.957 13.467 10.836 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.641 14.373 11.554 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.343 12.577 9.113 1.00 0.84 H new ATOM 0 HD3 LYS A 101 2.998 12.069 10.754 1.00 0.84 H new ATOM 0 HE2 LYS A 101 1.374 14.012 10.916 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.624 14.281 9.202 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 -0.315 12.981 9.472 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 0.876 11.953 8.834 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 0.471 11.864 10.480 1.00 1.68 H new ATOM 746 N ARG A 102 7.590 14.140 9.950 1.00 0.54 N ATOM 747 CA ARG A 102 8.738 14.138 10.836 1.00 0.58 C ATOM 748 C ARG A 102 9.921 13.527 10.099 1.00 0.54 C ATOM 749 O ARG A 102 9.738 12.862 9.080 1.00 0.54 O ATOM 750 CB ARG A 102 8.435 13.326 12.098 1.00 0.72 C ATOM 751 CG ARG A 102 9.463 13.503 13.202 1.00 0.83 C ATOM 752 CD ARG A 102 9.331 12.422 14.256 1.00 1.16 C ATOM 753 NE ARG A 102 9.720 11.107 13.739 1.00 1.80 N ATOM 754 CZ ARG A 102 8.920 10.043 13.737 1.00 2.52 C ATOM 755 NH1 ARG A 102 7.676 10.139 14.186 1.00 2.75 N ATOM 756 NH2 ARG A 102 9.360 8.878 13.274 1.00 3.50 N ATOM 0 H ARG A 102 7.512 13.307 9.366 1.00 0.54 H new ATOM 0 HA ARG A 102 8.971 15.160 11.134 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.455 13.614 12.478 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.377 12.270 11.834 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.466 13.478 12.776 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.338 14.482 13.665 1.00 0.83 H new ATOM 0 HD2 ARG A 102 9.954 12.674 15.115 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.301 12.383 14.610 1.00 1.16 H new ATOM 0 HE ARG A 102 10.660 11.001 13.358 1.00 1.80 H new ATOM 0 HH11 ARG A 102 7.327 11.032 14.535 1.00 2.75 H new ATOM 0 HH12 ARG A 102 7.068 9.320 14.182 1.00 2.75 H new ATOM 0 HH21 ARG A 102 10.313 8.797 12.919 1.00 3.50 H new ATOM 0 HH22 ARG A 102 8.745 8.064 13.274 1.00 3.50 H new ATOM 770 N LYS A 103 11.125 13.751 10.602 1.00 0.59 N ATOM 771 CA LYS A 103 12.306 13.179 9.988 1.00 0.63 C ATOM 772 C LYS A 103 12.474 11.713 10.376 1.00 0.68 C ATOM 773 O LYS A 103 11.894 11.239 11.359 1.00 0.82 O ATOM 774 CB LYS A 103 13.573 13.989 10.333 1.00 0.73 C ATOM 775 CG LYS A 103 13.756 14.360 11.807 1.00 0.98 C ATOM 776 CD LYS A 103 13.676 13.155 12.730 1.00 1.17 C ATOM 777 CE LYS A 103 14.277 13.434 14.097 1.00 2.05 C ATOM 778 NZ LYS A 103 15.738 13.709 14.031 1.00 2.40 N ATOM 0 H LYS A 103 11.306 14.321 11.428 1.00 0.59 H new ATOM 0 HA LYS A 103 12.167 13.228 8.908 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.444 13.417 10.013 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.563 14.908 9.747 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.722 14.849 11.937 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.992 15.083 12.093 1.00 0.98 H new ATOM 0 HD2 LYS A 103 12.634 12.859 12.848 1.00 1.17 H new ATOM 0 HD3 LYS A 103 14.196 12.314 12.272 1.00 1.17 H new ATOM 0 HE2 LYS A 103 13.770 14.288 14.546 1.00 2.05 H new ATOM 0 HE3 LYS A 103 14.100 12.579 14.749 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 15.976 14.479 14.688 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 16.265 12.852 14.296 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 15.995 13.988 13.063 1.00 2.40 H new ATOM 792 N MET A 104 13.243 11.005 9.580 1.00 0.73 N ATOM 793 CA MET A 104 13.636 9.640 9.880 1.00 0.83 C ATOM 794 C MET A 104 15.132 9.533 9.700 1.00 0.87 C ATOM 795 O MET A 104 15.709 10.314 8.949 1.00 0.93 O ATOM 796 CB MET A 104 12.925 8.650 8.963 1.00 0.85 C ATOM 797 CG MET A 104 11.436 8.526 9.231 1.00 0.97 C ATOM 798 SD MET A 104 10.579 7.641 7.919 1.00 1.22 S ATOM 799 CE MET A 104 10.902 8.740 6.545 1.00 0.92 C ATOM 0 H MET A 104 13.618 11.359 8.700 1.00 0.73 H new ATOM 0 HA MET A 104 13.356 9.396 10.905 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.074 8.957 7.928 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.388 7.669 9.074 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.281 8.008 10.177 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.004 9.521 9.338 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.055 8.724 5.859 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.048 9.754 6.917 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.800 8.413 6.021 1.00 0.92 H new ATOM 809 N GLU A 105 15.762 8.614 10.405 1.00 0.90 N ATOM 810 CA GLU A 105 17.206 8.471 10.336 1.00 0.93 C ATOM 811 C GLU A 105 17.591 7.036 10.004 1.00 0.89 C ATOM 812 O GLU A 105 16.913 6.093 10.428 1.00 1.13 O ATOM 813 CB GLU A 105 17.830 8.933 11.648 1.00 1.08 C ATOM 814 CG GLU A 105 17.569 10.407 11.918 1.00 1.64 C ATOM 815 CD GLU A 105 18.049 10.858 13.274 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.216 11.346 14.068 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.258 10.724 13.556 1.00 2.31 O ATOM 0 H GLU A 105 15.299 7.955 11.032 1.00 0.90 H new ATOM 0 HA GLU A 105 17.592 9.100 9.534 1.00 0.93 H new ATOM 0 HB2 GLU A 105 17.429 8.338 12.469 1.00 1.08 H new ATOM 0 HB3 GLU A 105 18.905 8.755 11.620 1.00 1.08 H new ATOM 0 HG2 GLU A 105 18.061 11.003 11.149 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.500 10.601 11.836 1.00 1.64 H new ATOM 824 N ALA A 106 18.703 6.906 9.267 1.00 0.78 N ATOM 825 CA ALA A 106 19.134 5.654 8.634 1.00 0.78 C ATOM 826 C ALA A 106 18.839 4.413 9.465 1.00 0.76 C ATOM 827 O ALA A 106 19.315 4.268 10.597 1.00 0.78 O ATOM 828 CB ALA A 106 20.618 5.723 8.311 1.00 0.84 C ATOM 0 H ALA A 106 19.339 7.684 9.092 1.00 0.78 H new ATOM 0 HA ALA A 106 18.550 5.554 7.719 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.932 4.791 7.841 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.804 6.553 7.630 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.184 5.875 9.230 1.00 0.84 H new ATOM 834 N GLY A 107 18.066 3.512 8.880 1.00 0.83 N ATOM 835 CA GLY A 107 17.702 2.279 9.548 1.00 0.91 C ATOM 836 C GLY A 107 16.210 2.191 9.765 1.00 0.87 C ATOM 837 O GLY A 107 15.716 1.268 10.420 1.00 1.04 O ATOM 0 H GLY A 107 17.679 3.615 7.942 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.036 1.429 8.953 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.215 2.218 10.508 1.00 0.91 H new ATOM 841 N GLU A 108 15.496 3.148 9.202 1.00 0.71 N ATOM 842 CA GLU A 108 14.054 3.209 9.317 1.00 0.74 C ATOM 843 C GLU A 108 13.402 2.339 8.248 1.00 0.61 C ATOM 844 O GLU A 108 14.012 2.028 7.221 1.00 0.61 O ATOM 845 CB GLU A 108 13.564 4.657 9.195 1.00 0.87 C ATOM 846 CG GLU A 108 13.836 5.306 7.844 1.00 0.85 C ATOM 847 CD GLU A 108 15.273 5.761 7.654 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.132 4.900 7.392 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.544 6.978 7.772 1.00 2.13 O ATOM 0 H GLU A 108 15.902 3.905 8.652 1.00 0.71 H new ATOM 0 HA GLU A 108 13.770 2.831 10.299 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.491 4.681 9.386 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.039 5.255 9.973 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.583 4.598 7.055 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.175 6.165 7.726 1.00 0.85 H new ATOM 856 N ARG A 109 12.175 1.925 8.505 1.00 0.63 N ATOM 857 CA ARG A 109 11.444 1.083 7.574 1.00 0.56 C ATOM 858 C ARG A 109 9.955 1.409 7.627 1.00 0.46 C ATOM 859 O ARG A 109 9.379 1.538 8.707 1.00 0.55 O ATOM 860 CB ARG A 109 11.713 -0.396 7.904 1.00 0.73 C ATOM 861 CG ARG A 109 10.957 -1.404 7.048 1.00 0.80 C ATOM 862 CD ARG A 109 9.566 -1.673 7.597 1.00 1.22 C ATOM 863 NE ARG A 109 9.598 -2.086 9.000 1.00 2.02 N ATOM 864 CZ ARG A 109 8.658 -1.775 9.892 1.00 2.71 C ATOM 865 NH1 ARG A 109 7.597 -1.061 9.529 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.781 -2.174 11.152 1.00 3.62 N ATOM 0 H ARG A 109 11.661 2.159 9.354 1.00 0.63 H new ATOM 0 HA ARG A 109 11.785 1.275 6.557 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.781 -0.585 7.800 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.459 -0.570 8.950 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.880 -1.030 6.027 1.00 0.80 H new ATOM 0 HG3 ARG A 109 11.518 -2.338 7.004 1.00 0.80 H new ATOM 0 HD2 ARG A 109 8.958 -0.774 7.498 1.00 1.22 H new ATOM 0 HD3 ARG A 109 9.086 -2.450 7.002 1.00 1.22 H new ATOM 0 HE ARG A 109 10.389 -2.647 9.315 1.00 2.02 H new ATOM 0 HH11 ARG A 109 7.499 -0.748 8.563 1.00 2.91 H new ATOM 0 HH12 ARG A 109 6.881 -0.826 10.216 1.00 2.91 H new ATOM 0 HH21 ARG A 109 9.595 -2.719 11.437 1.00 3.62 H new ATOM 0 HH22 ARG A 109 8.062 -1.936 11.835 1.00 3.62 H new ATOM 880 N LEU A 110 9.338 1.551 6.462 1.00 0.38 N ATOM 881 CA LEU A 110 7.900 1.758 6.390 1.00 0.39 C ATOM 882 C LEU A 110 7.233 0.415 6.126 1.00 0.49 C ATOM 883 O LEU A 110 7.712 -0.363 5.298 1.00 0.53 O ATOM 884 CB LEU A 110 7.506 2.740 5.273 1.00 0.35 C ATOM 885 CG LEU A 110 8.414 3.954 5.047 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.680 4.988 4.206 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.867 4.569 6.364 1.00 0.41 C ATOM 0 H LEU A 110 9.809 1.527 5.558 1.00 0.38 H new ATOM 0 HA LEU A 110 7.572 2.188 7.336 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.451 2.182 4.338 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.501 3.106 5.485 1.00 0.35 H new ATOM 0 HG LEU A 110 9.307 3.619 4.519 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.326 5.851 4.045 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.412 4.551 3.244 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.775 5.304 4.725 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.509 5.427 6.163 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.996 4.893 6.933 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.421 3.828 6.940 1.00 0.41 H new ATOM 899 N GLY A 111 6.157 0.125 6.833 1.00 0.61 N ATOM 900 CA GLY A 111 5.483 -1.140 6.634 1.00 0.77 C ATOM 901 C GLY A 111 4.322 -1.338 7.580 1.00 0.88 C ATOM 902 O GLY A 111 4.152 -0.564 8.522 1.00 1.02 O ATOM 0 H GLY A 111 5.739 0.735 7.536 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.123 -1.197 5.607 1.00 0.77 H new ATOM 0 HA3 GLY A 111 6.197 -1.952 6.767 1.00 0.77 H new ATOM 906 N PRO A 112 3.498 -2.369 7.350 1.00 1.23 N ATOM 907 CA PRO A 112 3.658 -3.281 6.211 1.00 1.24 C ATOM 908 C PRO A 112 3.153 -2.670 4.903 1.00 1.05 C ATOM 909 O PRO A 112 2.494 -1.632 4.908 1.00 1.19 O ATOM 910 CB PRO A 112 2.799 -4.481 6.607 1.00 1.78 C ATOM 911 CG PRO A 112 1.731 -3.914 7.481 1.00 2.10 C ATOM 912 CD PRO A 112 2.343 -2.734 8.191 1.00 1.83 C ATOM 0 HA PRO A 112 4.703 -3.527 6.023 1.00 1.24 H new ATOM 0 HB2 PRO A 112 2.374 -4.970 5.730 1.00 1.78 H new ATOM 0 HB3 PRO A 112 3.387 -5.231 7.137 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.868 -3.607 6.890 1.00 2.10 H new ATOM 0 HG3 PRO A 112 1.379 -4.658 8.196 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.636 -1.909 8.277 1.00 1.83 H new ATOM 0 HD3 PRO A 112 2.653 -2.994 9.203 1.00 1.83 H new ATOM 920 N CYS A 113 3.492 -3.302 3.787 1.00 1.00 N ATOM 921 CA CYS A 113 3.035 -2.844 2.480 1.00 1.00 C ATOM 922 C CYS A 113 2.011 -3.813 1.902 1.00 1.17 C ATOM 923 O CYS A 113 1.469 -3.593 0.820 1.00 1.67 O ATOM 924 CB CYS A 113 4.221 -2.707 1.521 1.00 1.05 C ATOM 925 SG CYS A 113 3.772 -2.167 -0.144 1.00 2.00 S ATOM 0 H CYS A 113 4.082 -4.134 3.760 1.00 1.00 H new ATOM 0 HA CYS A 113 2.564 -1.869 2.604 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.933 -1.997 1.941 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.732 -3.668 1.454 1.00 1.05 H new ATOM 0 HG CYS A 113 4.564 -1.206 -0.517 1.00 2.00 H new ATOM 1692 N GLY A 166 -1.468 -1.532 5.064 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.407 -1.891 4.143 1.00 1.24 C ATOM 1694 C GLY A 166 -0.546 -1.206 2.797 1.00 1.03 C ATOM 1695 O GLY A 166 0.448 -0.863 2.157 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.555 -1.628 4.583 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -0.407 -2.971 3.998 1.00 1.24 H new ATOM 1699 N SER A 167 -1.787 -0.987 2.382 1.00 0.98 N ATOM 1700 CA SER A 167 -2.090 -0.394 1.085 1.00 0.99 C ATOM 1701 C SER A 167 -1.566 1.041 0.974 1.00 0.78 C ATOM 1702 O SER A 167 -1.485 1.598 -0.116 1.00 0.86 O ATOM 1703 CB SER A 167 -3.601 -0.417 0.875 1.00 1.17 C ATOM 1704 OG SER A 167 -4.144 -1.652 1.308 1.00 1.82 O ATOM 0 H SER A 167 -2.613 -1.216 2.935 1.00 0.98 H new ATOM 0 HA SER A 167 -1.590 -0.979 0.313 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.063 0.403 1.425 1.00 1.17 H new ATOM 0 HB3 SER A 167 -3.830 -0.262 -0.179 1.00 1.17 H new ATOM 0 HG SER A 167 -5.114 -1.650 1.168 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.211 1.634 2.105 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.782 3.027 2.142 1.00 0.51 C ATOM 1712 C TRP A 168 0.578 3.226 1.468 1.00 0.42 C ATOM 1713 O TRP A 168 0.911 4.330 1.039 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.717 3.525 3.590 1.00 0.56 C ATOM 1715 CG TRP A 168 0.321 2.836 4.426 1.00 0.55 C ATOM 1716 CD1 TRP A 168 0.278 1.559 4.902 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.553 3.396 4.895 1.00 0.49 C ATOM 1718 NE1 TRP A 168 1.413 1.284 5.623 1.00 0.70 N ATOM 1719 CE2 TRP A 168 2.211 2.396 5.638 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.166 4.645 4.754 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.450 2.609 6.236 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.395 4.853 5.352 1.00 0.51 C ATOM 1723 CH2 TRP A 168 4.026 3.840 6.082 1.00 0.50 C ATOM 0 H TRP A 168 -1.211 1.171 3.014 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.519 3.607 1.587 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.514 4.596 3.586 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.693 3.387 4.055 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.532 0.864 4.736 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.627 0.395 6.075 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.689 5.432 4.189 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.939 1.830 6.802 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.877 5.815 5.254 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.988 4.034 6.533 1.00 0.50 H new ATOM 1734 N LEU A 169 1.352 2.159 1.356 1.00 0.41 N ATOM 1735 CA LEU A 169 2.715 2.271 0.854 1.00 0.38 C ATOM 1736 C LEU A 169 2.784 2.342 -0.667 1.00 0.39 C ATOM 1737 O LEU A 169 3.813 2.733 -1.217 1.00 0.41 O ATOM 1738 CB LEU A 169 3.588 1.143 1.393 1.00 0.44 C ATOM 1739 CG LEU A 169 4.151 1.393 2.794 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.962 0.203 3.267 1.00 0.66 C ATOM 1741 CD2 LEU A 169 5.005 2.653 2.804 1.00 0.55 C ATOM 0 H LEU A 169 1.065 1.212 1.603 1.00 0.41 H new ATOM 0 HA LEU A 169 3.106 3.219 1.223 1.00 0.38 H new ATOM 0 HB2 LEU A 169 3.003 0.223 1.409 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.418 0.982 0.705 1.00 0.44 H new ATOM 0 HG LEU A 169 3.315 1.532 3.479 1.00 0.46 H new ATOM 0 HD11 LEU A 169 5.353 0.402 4.265 1.00 0.66 H new ATOM 0 HD12 LEU A 169 4.326 -0.682 3.296 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.791 0.032 2.580 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.399 2.818 3.807 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.832 2.537 2.104 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.396 3.507 2.508 1.00 0.55 H new ATOM 1753 N LYS A 170 1.698 2.004 -1.358 1.00 0.44 N ATOM 1754 CA LYS A 170 1.682 2.130 -2.816 1.00 0.52 C ATOM 1755 C LYS A 170 1.721 3.604 -3.219 1.00 0.50 C ATOM 1756 O LYS A 170 1.909 3.939 -4.389 1.00 0.61 O ATOM 1757 CB LYS A 170 0.460 1.419 -3.445 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.914 1.934 -3.004 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.261 3.309 -3.575 1.00 0.83 C ATOM 1760 CE LYS A 170 -1.435 3.288 -5.088 1.00 1.15 C ATOM 1761 NZ LYS A 170 -2.693 2.612 -5.498 1.00 1.48 N ATOM 0 H LYS A 170 0.835 1.649 -0.946 1.00 0.44 H new ATOM 0 HA LYS A 170 2.573 1.635 -3.202 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.530 1.510 -4.529 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.521 0.357 -3.209 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.677 1.219 -3.311 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.943 1.983 -1.915 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -2.180 3.669 -3.112 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.474 4.016 -3.313 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -1.434 4.310 -5.467 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -0.586 2.778 -5.543 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -2.787 2.651 -6.533 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.670 1.619 -5.189 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.504 3.092 -5.059 1.00 1.48 H new ATOM 1775 N TYR A 171 1.544 4.476 -2.234 1.00 0.45 N ATOM 1776 CA TYR A 171 1.457 5.901 -2.483 1.00 0.52 C ATOM 1777 C TYR A 171 2.822 6.536 -2.699 1.00 0.53 C ATOM 1778 O TYR A 171 2.914 7.529 -3.408 1.00 0.68 O ATOM 1779 CB TYR A 171 0.729 6.602 -1.335 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.772 6.441 -1.383 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.558 7.271 -2.170 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.402 5.457 -0.632 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.931 7.125 -2.209 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.773 5.304 -0.667 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.532 6.149 -1.489 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.898 5.996 -1.486 1.00 1.97 O ATOM 0 H TYR A 171 1.458 4.215 -1.252 1.00 0.45 H new ATOM 0 HA TYR A 171 0.888 6.028 -3.404 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.098 6.209 -0.388 1.00 0.56 H new ATOM 0 HB3 TYR A 171 0.973 7.664 -1.356 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.089 8.043 -2.761 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.810 4.801 -0.011 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.527 7.791 -2.816 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.255 4.544 -0.070 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.263 6.297 -2.344 1.00 1.97 H new ATOM 1796 N ILE A 172 3.877 5.964 -2.113 1.00 0.43 N ATOM 1797 CA ILE A 172 5.204 6.570 -2.193 1.00 0.46 C ATOM 1798 C ILE A 172 5.647 6.746 -3.645 1.00 0.56 C ATOM 1799 O ILE A 172 5.434 5.860 -4.477 1.00 0.67 O ATOM 1800 CB ILE A 172 6.261 5.730 -1.473 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.695 5.119 -0.185 1.00 0.42 C ATOM 1802 CG2 ILE A 172 7.465 6.606 -1.174 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.767 6.023 1.029 1.00 0.54 C ATOM 0 H ILE A 172 3.838 5.093 -1.584 1.00 0.43 H new ATOM 0 HA ILE A 172 5.121 7.542 -1.706 1.00 0.46 H new ATOM 0 HB ILE A 172 6.564 4.904 -2.116 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.654 4.845 -0.356 1.00 0.42 H new ATOM 0 HG13 ILE A 172 6.236 4.198 0.032 1.00 0.42 H new ATOM 0 HG21 ILE A 172 8.225 6.017 -0.661 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.875 6.992 -2.107 1.00 0.57 H new ATOM 0 HG23 ILE A 172 7.161 7.438 -0.539 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.345 5.508 1.892 1.00 0.54 H new ATOM 0 HD12 ILE A 172 6.807 6.278 1.232 1.00 0.54 H new ATOM 0 HD13 ILE A 172 5.201 6.935 0.838 1.00 0.54 H new ATOM 1815 N ARG A 173 6.267 7.881 -3.938 1.00 0.71 N ATOM 1816 CA ARG A 173 6.636 8.214 -5.308 1.00 0.92 C ATOM 1817 C ARG A 173 8.077 7.823 -5.624 1.00 0.69 C ATOM 1818 O ARG A 173 8.948 7.845 -4.753 1.00 0.61 O ATOM 1819 CB ARG A 173 6.478 9.715 -5.564 1.00 1.38 C ATOM 1820 CG ARG A 173 5.203 10.333 -5.010 1.00 1.82 C ATOM 1821 CD ARG A 173 3.986 9.458 -5.250 1.00 2.22 C ATOM 1822 NE ARG A 173 3.789 9.108 -6.655 1.00 2.79 N ATOM 1823 CZ ARG A 173 2.944 8.167 -7.064 1.00 3.52 C ATOM 1824 NH1 ARG A 173 2.252 7.470 -6.172 1.00 3.84 N ATOM 1825 NH2 ARG A 173 2.805 7.912 -8.358 1.00 4.34 N ATOM 0 H ARG A 173 6.525 8.586 -3.247 1.00 0.71 H new ATOM 0 HA ARG A 173 5.965 7.648 -5.954 1.00 0.92 H new ATOM 0 HB2 ARG A 173 7.333 10.234 -5.130 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.511 9.890 -6.639 1.00 1.38 H new ATOM 0 HG2 ARG A 173 5.320 10.503 -3.940 1.00 1.82 H new ATOM 0 HG3 ARG A 173 5.044 11.307 -5.472 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.085 8.543 -4.666 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.099 9.975 -4.884 1.00 2.22 H new ATOM 0 HE ARG A 173 4.328 9.612 -7.359 1.00 2.79 H new ATOM 0 HH11 ARG A 173 2.369 7.657 -5.176 1.00 3.84 H new ATOM 0 HH12 ARG A 173 1.603 6.747 -6.482 1.00 3.84 H new ATOM 0 HH21 ARG A 173 3.347 8.439 -9.043 1.00 4.34 H new ATOM 0 HH22 ARG A 173 2.156 7.189 -8.668 1.00 4.34 H new ATOM 1839 N VAL A 174 8.305 7.453 -6.883 1.00 0.70 N ATOM 1840 CA VAL A 174 9.655 7.286 -7.414 1.00 0.63 C ATOM 1841 C VAL A 174 10.342 8.655 -7.454 1.00 0.55 C ATOM 1842 O VAL A 174 9.679 9.677 -7.640 1.00 0.62 O ATOM 1843 CB VAL A 174 9.623 6.678 -8.840 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.015 6.622 -9.453 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.014 5.286 -8.816 1.00 1.07 C ATOM 0 H VAL A 174 7.565 7.262 -7.558 1.00 0.70 H new ATOM 0 HA VAL A 174 10.206 6.603 -6.768 1.00 0.63 H new ATOM 0 HB VAL A 174 9.003 7.328 -9.458 1.00 0.73 H new ATOM 0 HG11 VAL A 174 10.955 6.191 -10.452 1.00 0.98 H new ATOM 0 HG12 VAL A 174 11.425 7.630 -9.517 1.00 0.98 H new ATOM 0 HG13 VAL A 174 11.663 6.005 -8.830 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.001 4.877 -9.826 1.00 1.07 H new ATOM 0 HG22 VAL A 174 9.609 4.640 -8.171 1.00 1.07 H new ATOM 0 HG23 VAL A 174 7.995 5.341 -8.434 1.00 1.07 H new ATOM 1855 N ALA A 175 11.659 8.669 -7.277 1.00 0.53 N ATOM 1856 CA ALA A 175 12.422 9.914 -7.209 1.00 0.57 C ATOM 1857 C ALA A 175 12.238 10.767 -8.455 1.00 0.52 C ATOM 1858 O ALA A 175 12.507 10.324 -9.574 1.00 0.57 O ATOM 1859 CB ALA A 175 13.898 9.617 -7.008 1.00 0.71 C ATOM 0 H ALA A 175 12.225 7.826 -7.177 1.00 0.53 H new ATOM 0 HA ALA A 175 12.040 10.478 -6.358 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.454 10.553 -6.959 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.035 9.065 -6.078 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.266 9.020 -7.842 1.00 0.71 H new ATOM 1865 N CYS A 176 11.783 11.995 -8.246 1.00 0.62 N ATOM 1866 CA CYS A 176 11.640 12.966 -9.318 1.00 0.69 C ATOM 1867 C CYS A 176 13.014 13.349 -9.861 1.00 0.68 C ATOM 1868 O CYS A 176 13.162 13.692 -11.034 1.00 0.84 O ATOM 1869 CB CYS A 176 10.912 14.209 -8.797 1.00 0.85 C ATOM 1870 SG CYS A 176 10.661 15.503 -10.035 1.00 1.88 S ATOM 0 H CYS A 176 11.503 12.344 -7.329 1.00 0.62 H new ATOM 0 HA CYS A 176 11.055 12.525 -10.125 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.942 13.908 -8.402 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.479 14.625 -7.965 1.00 0.85 H new ATOM 0 HG CYS A 176 9.389 15.735 -10.168 1.00 1.88 H new ATOM 1876 N SER A 177 14.017 13.272 -9.001 1.00 0.63 N ATOM 1877 CA SER A 177 15.378 13.601 -9.375 1.00 0.71 C ATOM 1878 C SER A 177 16.325 12.452 -9.026 1.00 0.65 C ATOM 1879 O SER A 177 16.210 11.833 -7.967 1.00 0.66 O ATOM 1880 CB SER A 177 15.801 14.893 -8.670 1.00 0.88 C ATOM 1881 OG SER A 177 15.308 14.927 -7.339 1.00 1.63 O ATOM 0 H SER A 177 13.909 12.981 -8.029 1.00 0.63 H new ATOM 0 HA SER A 177 15.428 13.754 -10.453 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.888 14.969 -8.662 1.00 0.88 H new ATOM 0 HB3 SER A 177 15.426 15.754 -9.223 1.00 0.88 H new ATOM 0 HG SER A 177 15.987 15.315 -6.748 1.00 1.63 H new ATOM 1887 N CYS A 178 17.266 12.182 -9.921 1.00 0.71 N ATOM 1888 CA CYS A 178 18.202 11.076 -9.756 1.00 0.76 C ATOM 1889 C CYS A 178 19.292 11.425 -8.747 1.00 0.71 C ATOM 1890 O CYS A 178 20.087 10.574 -8.356 1.00 0.77 O ATOM 1891 CB CYS A 178 18.826 10.716 -11.107 1.00 1.00 C ATOM 1892 SG CYS A 178 20.001 9.340 -11.050 1.00 1.96 S ATOM 0 H CYS A 178 17.402 12.719 -10.777 1.00 0.71 H new ATOM 0 HA CYS A 178 17.653 10.216 -9.374 1.00 0.76 H new ATOM 0 HB2 CYS A 178 18.028 10.467 -11.806 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.334 11.595 -11.504 1.00 1.00 H new ATOM 0 HG CYS A 178 20.527 9.268 -9.863 1.00 1.96 H new ATOM 1898 N ASP A 179 19.326 12.679 -8.330 1.00 0.76 N ATOM 1899 CA ASP A 179 20.286 13.121 -7.328 1.00 0.88 C ATOM 1900 C ASP A 179 19.720 12.917 -5.931 1.00 0.82 C ATOM 1901 O ASP A 179 20.388 13.169 -4.930 1.00 0.99 O ATOM 1902 CB ASP A 179 20.640 14.596 -7.538 1.00 1.08 C ATOM 1903 CG ASP A 179 21.373 14.841 -8.838 1.00 1.81 C ATOM 1904 OD1 ASP A 179 20.714 14.907 -9.899 1.00 2.40 O ATOM 1905 OD2 ASP A 179 22.612 14.977 -8.812 1.00 2.42 O ATOM 0 H ASP A 179 18.701 13.410 -8.668 1.00 0.76 H new ATOM 0 HA ASP A 179 21.193 12.525 -7.434 1.00 0.88 H new ATOM 0 HB2 ASP A 179 19.726 15.190 -7.523 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.257 14.939 -6.708 1.00 1.08 H new ATOM 1910 N ASP A 180 18.475 12.470 -5.877 1.00 0.70 N ATOM 1911 CA ASP A 180 17.771 12.285 -4.616 1.00 0.75 C ATOM 1912 C ASP A 180 17.519 10.812 -4.319 1.00 0.60 C ATOM 1913 O ASP A 180 16.651 10.486 -3.511 1.00 0.64 O ATOM 1914 CB ASP A 180 16.446 13.051 -4.622 1.00 0.92 C ATOM 1915 CG ASP A 180 16.634 14.543 -4.447 1.00 1.41 C ATOM 1916 OD1 ASP A 180 17.044 15.213 -5.417 1.00 2.12 O ATOM 1917 OD2 ASP A 180 16.372 15.059 -3.336 1.00 1.55 O ATOM 0 H ASP A 180 17.926 12.226 -6.701 1.00 0.70 H new ATOM 0 HA ASP A 180 18.411 12.681 -3.827 1.00 0.75 H new ATOM 0 HB2 ASP A 180 15.926 12.862 -5.561 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.809 12.673 -3.823 1.00 0.92 H new ATOM 1922 N GLN A 181 18.253 9.922 -4.992 1.00 0.51 N ATOM 1923 CA GLN A 181 18.031 8.484 -4.835 1.00 0.46 C ATOM 1924 C GLN A 181 18.132 8.075 -3.370 1.00 0.46 C ATOM 1925 O GLN A 181 19.193 8.174 -2.749 1.00 0.56 O ATOM 1926 CB GLN A 181 19.038 7.666 -5.655 1.00 0.56 C ATOM 1927 CG GLN A 181 19.026 7.977 -7.148 1.00 0.62 C ATOM 1928 CD GLN A 181 17.941 7.243 -7.926 1.00 0.70 C ATOM 1929 OE1 GLN A 181 16.848 6.890 -7.266 1.00 1.35 O flip ATOM 1930 NE2 GLN A 181 18.098 6.973 -9.118 1.00 0.98 N flip ATOM 0 H GLN A 181 18.998 10.169 -5.644 1.00 0.51 H new ATOM 0 HA GLN A 181 17.026 8.276 -5.202 1.00 0.46 H new ATOM 0 HB2 GLN A 181 20.040 7.847 -5.265 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.828 6.606 -5.514 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.893 9.050 -7.284 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.998 7.720 -7.570 1.00 0.62 H new ATOM 0 HE21 GLN A 181 18.952 7.259 -9.598 1.00 0.98 H new ATOM 0 HE22 GLN A 181 17.374 6.463 -9.625 1.00 0.98 H new ATOM 1939 N ASN A 182 17.012 7.624 -2.830 1.00 0.40 N ATOM 1940 CA ASN A 182 16.938 7.156 -1.464 1.00 0.41 C ATOM 1941 C ASN A 182 15.771 6.170 -1.345 1.00 0.36 C ATOM 1942 O ASN A 182 15.124 6.050 -0.312 1.00 0.42 O ATOM 1943 CB ASN A 182 16.777 8.361 -0.522 1.00 0.49 C ATOM 1944 CG ASN A 182 16.786 7.987 0.944 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.833 7.752 1.539 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.617 7.962 1.536 1.00 0.93 N ATOM 0 H ASN A 182 16.126 7.574 -3.333 1.00 0.40 H new ATOM 0 HA ASN A 182 17.852 6.636 -1.178 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.582 9.071 -0.713 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.841 8.870 -0.753 1.00 0.49 H new ATOM 0 HD21 ASN A 182 15.553 7.741 2.530 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.771 8.164 1.003 1.00 0.93 H new ATOM 1953 N LEU A 183 15.528 5.443 -2.428 1.00 0.34 N ATOM 1954 CA LEU A 183 14.364 4.571 -2.516 1.00 0.35 C ATOM 1955 C LEU A 183 14.784 3.108 -2.615 1.00 0.36 C ATOM 1956 O LEU A 183 15.506 2.724 -3.538 1.00 0.39 O ATOM 1957 CB LEU A 183 13.507 4.938 -3.739 1.00 0.39 C ATOM 1958 CG LEU A 183 13.200 6.416 -3.931 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.331 7.115 -4.663 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.900 6.588 -4.687 1.00 0.81 C ATOM 0 H LEU A 183 16.121 5.440 -3.258 1.00 0.34 H new ATOM 0 HA LEU A 183 13.777 4.710 -1.608 1.00 0.35 H new ATOM 0 HB2 LEU A 183 14.014 4.576 -4.633 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.562 4.399 -3.668 1.00 0.39 H new ATOM 0 HG LEU A 183 13.099 6.873 -2.947 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.087 8.170 -4.787 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.251 7.021 -4.086 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.469 6.657 -5.642 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.693 7.650 -4.817 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.982 6.112 -5.664 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.088 6.126 -4.125 1.00 0.81 H new ATOM 1972 N THR A 184 14.352 2.293 -1.657 1.00 0.37 N ATOM 1973 CA THR A 184 14.606 0.860 -1.706 1.00 0.41 C ATOM 1974 C THR A 184 13.475 0.070 -1.042 1.00 0.41 C ATOM 1975 O THR A 184 12.932 0.472 -0.011 1.00 0.45 O ATOM 1976 CB THR A 184 15.959 0.509 -1.045 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.019 1.180 -1.738 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.220 -0.989 -1.063 1.00 0.49 C ATOM 0 H THR A 184 13.826 2.601 -0.840 1.00 0.37 H new ATOM 0 HA THR A 184 14.651 0.577 -2.758 1.00 0.41 H new ATOM 0 HB THR A 184 15.918 0.835 -0.006 1.00 0.45 H new ATOM 0 HG1 THR A 184 17.876 0.959 -1.318 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.180 -1.197 -0.590 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.428 -1.503 -0.518 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.240 -1.343 -2.094 1.00 0.49 H new ATOM 1986 N MET A 185 13.102 -1.040 -1.662 1.00 0.49 N ATOM 1987 CA MET A 185 12.093 -1.934 -1.114 1.00 0.51 C ATOM 1988 C MET A 185 12.690 -3.316 -0.905 1.00 0.60 C ATOM 1989 O MET A 185 13.405 -3.826 -1.766 1.00 0.90 O ATOM 1990 CB MET A 185 10.885 -2.023 -2.047 1.00 0.77 C ATOM 1991 CG MET A 185 10.008 -0.780 -2.034 1.00 1.01 C ATOM 1992 SD MET A 185 8.833 -0.727 -3.406 1.00 1.35 S ATOM 1993 CE MET A 185 8.024 -2.317 -3.251 1.00 1.03 C ATOM 0 H MET A 185 13.488 -1.345 -2.555 1.00 0.49 H new ATOM 0 HA MET A 185 11.759 -1.536 -0.156 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.235 -2.199 -3.064 1.00 0.77 H new ATOM 0 HB3 MET A 185 10.281 -2.885 -1.764 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.460 -0.739 -1.093 1.00 1.01 H new ATOM 0 HG3 MET A 185 10.642 0.105 -2.072 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.971 -2.217 -3.515 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.499 -3.034 -3.921 1.00 1.03 H new ATOM 0 HE3 MET A 185 8.109 -2.670 -2.223 1.00 1.03 H new ATOM 2003 N CYS A 186 12.409 -3.912 0.237 1.00 0.55 N ATOM 2004 CA CYS A 186 12.943 -5.226 0.558 1.00 0.81 C ATOM 2005 C CYS A 186 11.821 -6.257 0.653 1.00 0.71 C ATOM 2006 O CYS A 186 10.726 -5.960 1.139 1.00 0.65 O ATOM 2007 CB CYS A 186 13.725 -5.170 1.873 1.00 1.10 C ATOM 2008 SG CYS A 186 14.555 -6.714 2.315 1.00 1.73 S ATOM 0 H CYS A 186 11.814 -3.509 0.960 1.00 0.55 H new ATOM 0 HA CYS A 186 13.619 -5.529 -0.242 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.470 -4.378 1.805 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.041 -4.896 2.677 1.00 1.10 H new ATOM 0 HG CYS A 186 15.188 -6.560 3.440 1.00 1.73 H new ATOM 2014 N GLN A 187 12.093 -7.463 0.172 1.00 0.81 N ATOM 2015 CA GLN A 187 11.133 -8.551 0.254 1.00 0.79 C ATOM 2016 C GLN A 187 11.597 -9.545 1.315 1.00 0.87 C ATOM 2017 O GLN A 187 12.520 -10.325 1.084 1.00 1.01 O ATOM 2018 CB GLN A 187 11.007 -9.237 -1.116 1.00 0.95 C ATOM 2019 CG GLN A 187 9.711 -10.015 -1.332 1.00 1.08 C ATOM 2020 CD GLN A 187 9.563 -11.223 -0.428 1.00 1.47 C ATOM 2021 OE1 GLN A 187 10.018 -12.316 -0.754 1.00 1.93 O ATOM 2022 NE2 GLN A 187 8.907 -11.040 0.707 1.00 1.60 N ATOM 0 H GLN A 187 12.973 -7.711 -0.280 1.00 0.81 H new ATOM 0 HA GLN A 187 10.153 -8.164 0.534 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.092 -8.479 -1.894 1.00 0.95 H new ATOM 0 HB3 GLN A 187 11.848 -9.919 -1.243 1.00 0.95 H new ATOM 0 HG2 GLN A 187 8.866 -9.346 -1.170 1.00 1.08 H new ATOM 0 HG3 GLN A 187 9.664 -10.342 -2.371 1.00 1.08 H new ATOM 0 HE21 GLN A 187 8.544 -10.117 0.943 1.00 1.60 H new ATOM 0 HE22 GLN A 187 8.765 -11.822 1.346 1.00 1.60 H new ATOM 2031 N ILE A 188 10.952 -9.503 2.470 1.00 0.82 N ATOM 2032 CA ILE A 188 11.307 -10.364 3.594 1.00 0.92 C ATOM 2033 C ILE A 188 10.062 -10.736 4.385 1.00 0.95 C ATOM 2034 O ILE A 188 9.124 -9.943 4.475 1.00 0.87 O ATOM 2035 CB ILE A 188 12.332 -9.700 4.547 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.928 -8.258 4.856 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.727 -9.741 3.951 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.810 -7.583 5.885 1.00 1.11 C ATOM 0 H ILE A 188 10.170 -8.875 2.657 1.00 0.82 H new ATOM 0 HA ILE A 188 11.769 -11.257 3.173 1.00 0.92 H new ATOM 0 HB ILE A 188 12.340 -10.264 5.480 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.953 -7.678 3.933 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.898 -8.247 5.211 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.430 -9.269 4.638 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.022 -10.777 3.785 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.733 -9.206 3.001 1.00 1.07 H new ATOM 0 HD11 ILE A 188 12.461 -6.564 6.051 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.767 -8.138 6.822 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.838 -7.560 5.524 1.00 1.11 H new ATOM 2050 N SER A 189 10.044 -11.957 4.911 1.00 1.12 N ATOM 2051 CA SER A 189 8.940 -12.441 5.735 1.00 1.23 C ATOM 2052 C SER A 189 7.674 -12.588 4.890 1.00 1.13 C ATOM 2053 O SER A 189 6.561 -12.353 5.366 1.00 1.15 O ATOM 2054 CB SER A 189 8.708 -11.494 6.927 1.00 1.31 C ATOM 2055 OG SER A 189 7.819 -12.052 7.884 1.00 1.86 O ATOM 0 H SER A 189 10.792 -12.638 4.779 1.00 1.12 H new ATOM 0 HA SER A 189 9.197 -13.423 6.131 1.00 1.23 H new ATOM 0 HB2 SER A 189 9.662 -11.272 7.405 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.305 -10.548 6.566 1.00 1.31 H new ATOM 0 HG SER A 189 7.025 -12.401 7.428 1.00 1.86 H new ATOM 2061 N GLU A 190 7.871 -12.960 3.621 1.00 1.11 N ATOM 2062 CA GLU A 190 6.778 -13.208 2.673 1.00 1.13 C ATOM 2063 C GLU A 190 6.007 -11.928 2.352 1.00 0.96 C ATOM 2064 O GLU A 190 4.979 -11.960 1.674 1.00 1.05 O ATOM 2065 CB GLU A 190 5.827 -14.276 3.219 1.00 1.34 C ATOM 2066 CG GLU A 190 6.529 -15.570 3.591 1.00 1.74 C ATOM 2067 CD GLU A 190 5.595 -16.579 4.216 1.00 2.26 C ATOM 2068 OE1 GLU A 190 5.321 -17.617 3.579 1.00 2.66 O ATOM 2069 OE2 GLU A 190 5.130 -16.346 5.351 1.00 2.83 O ATOM 0 H GLU A 190 8.798 -13.099 3.220 1.00 1.11 H new ATOM 0 HA GLU A 190 7.224 -13.569 1.746 1.00 1.13 H new ATOM 0 HB2 GLU A 190 5.315 -13.883 4.097 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.062 -14.487 2.472 1.00 1.34 H new ATOM 0 HG2 GLU A 190 6.981 -16.003 2.699 1.00 1.74 H new ATOM 0 HG3 GLU A 190 7.340 -15.352 4.286 1.00 1.74 H new ATOM 2076 N GLN A 191 6.519 -10.799 2.812 1.00 0.81 N ATOM 2077 CA GLN A 191 5.832 -9.533 2.647 1.00 0.71 C ATOM 2078 C GLN A 191 6.782 -8.462 2.127 1.00 0.61 C ATOM 2079 O GLN A 191 7.998 -8.656 2.087 1.00 0.65 O ATOM 2080 CB GLN A 191 5.203 -9.105 3.974 1.00 0.78 C ATOM 2081 CG GLN A 191 6.185 -9.052 5.132 1.00 0.87 C ATOM 2082 CD GLN A 191 5.509 -8.857 6.474 1.00 1.15 C ATOM 2083 OE1 GLN A 191 6.079 -8.257 7.380 1.00 1.75 O ATOM 2084 NE2 GLN A 191 4.300 -9.377 6.624 1.00 1.46 N ATOM 0 H GLN A 191 7.410 -10.735 3.304 1.00 0.81 H new ATOM 0 HA GLN A 191 5.040 -9.660 1.909 1.00 0.71 H new ATOM 0 HB2 GLN A 191 4.750 -8.122 3.850 1.00 0.78 H new ATOM 0 HB3 GLN A 191 4.399 -9.797 4.224 1.00 0.78 H new ATOM 0 HG2 GLN A 191 6.763 -9.976 5.153 1.00 0.87 H new ATOM 0 HG3 GLN A 191 6.891 -8.238 4.965 1.00 0.87 H new ATOM 0 HE21 GLN A 191 3.857 -9.869 5.848 1.00 1.46 H new ATOM 0 HE22 GLN A 191 3.812 -9.285 7.515 1.00 1.46 H new ATOM 2093 N ILE A 192 6.211 -7.346 1.703 1.00 0.56 N ATOM 2094 CA ILE A 192 6.988 -6.248 1.154 1.00 0.50 C ATOM 2095 C ILE A 192 7.226 -5.181 2.215 1.00 0.47 C ATOM 2096 O ILE A 192 6.288 -4.728 2.873 1.00 0.61 O ATOM 2097 CB ILE A 192 6.270 -5.610 -0.055 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.013 -6.657 -1.143 1.00 0.89 C ATOM 2099 CG2 ILE A 192 7.079 -4.450 -0.615 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.271 -7.266 -1.719 1.00 1.01 C ATOM 0 H ILE A 192 5.205 -7.177 1.729 1.00 0.56 H new ATOM 0 HA ILE A 192 7.944 -6.654 0.824 1.00 0.50 H new ATOM 0 HB ILE A 192 5.310 -5.223 0.287 1.00 0.65 H new ATOM 0 HG12 ILE A 192 5.393 -7.452 -0.729 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.443 -6.196 -1.949 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.553 -4.017 -1.466 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.209 -3.691 0.156 1.00 0.64 H new ATOM 0 HG23 ILE A 192 8.056 -4.810 -0.937 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.005 -7.997 -2.482 1.00 1.01 H new ATOM 0 HD12 ILE A 192 7.883 -6.482 -2.165 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.833 -7.758 -0.925 1.00 1.01 H new ATOM 2112 N TYR A 193 8.482 -4.798 2.386 1.00 0.48 N ATOM 2113 CA TYR A 193 8.838 -3.720 3.291 1.00 0.68 C ATOM 2114 C TYR A 193 9.498 -2.580 2.535 1.00 0.50 C ATOM 2115 O TYR A 193 10.207 -2.794 1.551 1.00 0.47 O ATOM 2116 CB TYR A 193 9.787 -4.209 4.387 1.00 1.05 C ATOM 2117 CG TYR A 193 9.097 -4.768 5.612 1.00 1.54 C ATOM 2118 CD1 TYR A 193 9.591 -5.895 6.249 1.00 2.35 C ATOM 2119 CD2 TYR A 193 7.969 -4.156 6.142 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.983 -6.401 7.379 1.00 3.17 C ATOM 2121 CE2 TYR A 193 7.352 -4.655 7.271 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.866 -5.777 7.887 1.00 3.09 C ATOM 2123 OH TYR A 193 7.263 -6.274 9.017 1.00 3.94 O ATOM 0 H TYR A 193 9.276 -5.222 1.906 1.00 0.48 H new ATOM 0 HA TYR A 193 7.916 -3.365 3.752 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.438 -4.977 3.970 1.00 1.05 H new ATOM 0 HB3 TYR A 193 10.427 -3.381 4.692 1.00 1.05 H new ATOM 0 HD1 TYR A 193 10.468 -6.386 5.854 1.00 2.35 H new ATOM 0 HD2 TYR A 193 7.568 -3.275 5.663 1.00 1.86 H new ATOM 0 HE1 TYR A 193 9.381 -7.281 7.862 1.00 3.17 H new ATOM 0 HE2 TYR A 193 6.473 -4.170 7.669 1.00 2.49 H new ATOM 0 HH TYR A 193 6.716 -7.052 8.781 1.00 3.94 H new ATOM 2133 N TYR A 194 9.265 -1.368 3.004 1.00 0.49 N ATOM 2134 CA TYR A 194 9.902 -0.193 2.437 1.00 0.41 C ATOM 2135 C TYR A 194 11.058 0.219 3.329 1.00 0.40 C ATOM 2136 O TYR A 194 10.855 0.639 4.465 1.00 0.49 O ATOM 2137 CB TYR A 194 8.879 0.941 2.307 1.00 0.56 C ATOM 2138 CG TYR A 194 7.995 0.823 1.081 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.486 -0.404 0.681 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.656 1.944 0.332 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.668 -0.511 -0.428 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.843 1.844 -0.779 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.393 0.601 -1.185 1.00 0.80 C ATOM 2144 OH TYR A 194 5.527 0.511 -2.255 1.00 0.92 O ATOM 0 H TYR A 194 8.635 -1.171 3.781 1.00 0.49 H new ATOM 0 HA TYR A 194 10.285 -0.418 1.442 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.251 0.956 3.198 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.407 1.894 2.273 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.733 -1.291 1.246 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.036 2.912 0.625 1.00 0.78 H new ATOM 0 HE1 TYR A 194 6.246 -1.468 -0.699 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.560 2.730 -1.327 1.00 0.85 H new ATOM 0 HH TYR A 194 4.816 1.178 -2.157 1.00 0.92 H new ATOM 2154 N LYS A 195 12.268 0.096 2.818 1.00 0.37 N ATOM 2155 CA LYS A 195 13.451 0.333 3.625 1.00 0.38 C ATOM 2156 C LYS A 195 14.162 1.585 3.155 1.00 0.39 C ATOM 2157 O LYS A 195 14.532 1.702 1.985 1.00 0.43 O ATOM 2158 CB LYS A 195 14.384 -0.884 3.579 1.00 0.40 C ATOM 2159 CG LYS A 195 15.628 -0.746 4.452 1.00 0.43 C ATOM 2160 CD LYS A 195 16.802 -0.139 3.694 1.00 0.46 C ATOM 2161 CE LYS A 195 17.331 -1.081 2.621 1.00 0.53 C ATOM 2162 NZ LYS A 195 17.773 -2.384 3.188 1.00 1.11 N ATOM 0 H LYS A 195 12.458 -0.166 1.851 1.00 0.37 H new ATOM 0 HA LYS A 195 13.147 0.483 4.661 1.00 0.38 H new ATOM 0 HB2 LYS A 195 13.828 -1.767 3.894 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.693 -1.053 2.548 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.396 -0.124 5.316 1.00 0.43 H new ATOM 0 HG3 LYS A 195 15.912 -1.727 4.833 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.491 0.799 3.233 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.602 0.100 4.394 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.554 -1.255 1.877 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.167 -0.609 2.105 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.392 -2.867 2.506 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.294 -2.219 4.073 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 16.942 -2.978 3.382 1.00 1.11 H new ATOM 2176 N VAL A 196 14.355 2.513 4.068 1.00 0.41 N ATOM 2177 CA VAL A 196 14.963 3.782 3.737 1.00 0.45 C ATOM 2178 C VAL A 196 16.459 3.731 3.982 1.00 0.43 C ATOM 2179 O VAL A 196 16.955 2.967 4.812 1.00 0.41 O ATOM 2180 CB VAL A 196 14.344 4.936 4.532 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.556 6.242 3.801 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.862 4.691 4.790 1.00 0.68 C ATOM 0 H VAL A 196 14.098 2.410 5.050 1.00 0.41 H new ATOM 0 HA VAL A 196 14.775 3.966 2.679 1.00 0.45 H new ATOM 0 HB VAL A 196 14.841 4.994 5.500 1.00 0.51 H new ATOM 0 HG11 VAL A 196 14.112 7.056 4.374 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.624 6.423 3.681 1.00 0.70 H new ATOM 0 HG13 VAL A 196 14.084 6.190 2.820 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.448 5.526 5.356 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.337 4.602 3.839 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.739 3.770 5.360 1.00 0.68 H new ATOM 2192 N ILE A 197 17.162 4.544 3.225 1.00 0.47 N ATOM 2193 CA ILE A 197 18.608 4.449 3.096 1.00 0.45 C ATOM 2194 C ILE A 197 19.299 5.356 4.097 1.00 0.45 C ATOM 2195 O ILE A 197 20.153 4.919 4.870 1.00 0.49 O ATOM 2196 CB ILE A 197 19.062 4.850 1.675 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.947 4.616 0.655 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.298 4.073 1.271 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.456 3.190 0.589 1.00 0.62 C ATOM 0 H ILE A 197 16.748 5.297 2.676 1.00 0.47 H new ATOM 0 HA ILE A 197 18.883 3.412 3.289 1.00 0.45 H new ATOM 0 HB ILE A 197 19.300 5.914 1.691 1.00 0.47 H new ATOM 0 HG12 ILE A 197 17.107 5.267 0.897 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.305 4.911 -0.331 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.602 4.370 0.267 1.00 0.47 H new ATOM 0 HG22 ILE A 197 21.106 4.284 1.972 1.00 0.47 H new ATOM 0 HG23 ILE A 197 20.077 3.006 1.283 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.666 3.111 -0.158 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.282 2.533 0.315 1.00 0.62 H new ATOM 0 HD13 ILE A 197 17.065 2.894 1.563 1.00 0.62 H new ATOM 2211 N LYS A 198 18.936 6.623 4.058 1.00 0.47 N ATOM 2212 CA LYS A 198 19.482 7.610 4.979 1.00 0.49 C ATOM 2213 C LYS A 198 18.379 8.548 5.456 1.00 0.48 C ATOM 2214 O LYS A 198 17.228 8.405 5.040 1.00 0.49 O ATOM 2215 CB LYS A 198 20.636 8.385 4.322 1.00 0.59 C ATOM 2216 CG LYS A 198 20.287 9.022 2.989 1.00 0.75 C ATOM 2217 CD LYS A 198 19.679 10.402 3.169 1.00 0.94 C ATOM 2218 CE LYS A 198 18.573 10.647 2.168 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.025 12.021 2.270 1.00 1.38 N ATOM 0 H LYS A 198 18.260 6.999 3.394 1.00 0.47 H new ATOM 0 HA LYS A 198 19.888 7.095 5.850 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.970 9.165 5.007 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.477 7.707 4.177 1.00 0.59 H new ATOM 0 HG2 LYS A 198 21.185 9.097 2.375 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.586 8.383 2.452 1.00 0.75 H new ATOM 0 HD2 LYS A 198 19.286 10.500 4.181 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.453 11.161 3.053 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.954 10.483 1.160 1.00 0.98 H new ATOM 0 HE3 LYS A 198 17.773 9.925 2.328 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 17.225 12.125 1.614 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.700 12.194 3.243 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.765 12.709 2.025 1.00 1.38 H new ATOM 2233 N ASP A 199 18.739 9.516 6.296 1.00 0.52 N ATOM 2234 CA ASP A 199 17.756 10.392 6.935 1.00 0.56 C ATOM 2235 C ASP A 199 16.867 11.108 5.919 1.00 0.55 C ATOM 2236 O ASP A 199 17.331 11.612 4.895 1.00 0.67 O ATOM 2237 CB ASP A 199 18.437 11.421 7.852 1.00 0.67 C ATOM 2238 CG ASP A 199 19.353 12.381 7.117 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.552 12.059 6.961 1.00 2.23 O ATOM 2240 OD2 ASP A 199 18.885 13.466 6.709 1.00 2.13 O ATOM 0 H ASP A 199 19.706 9.715 6.551 1.00 0.52 H new ATOM 0 HA ASP A 199 17.118 9.747 7.539 1.00 0.56 H new ATOM 0 HB2 ASP A 199 17.670 11.993 8.374 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.013 10.893 8.611 1.00 0.67 H new ATOM 2245 N ILE A 200 15.579 11.130 6.214 1.00 0.52 N ATOM 2246 CA ILE A 200 14.602 11.792 5.364 1.00 0.55 C ATOM 2247 C ILE A 200 14.308 13.194 5.870 1.00 0.54 C ATOM 2248 O ILE A 200 14.187 13.415 7.078 1.00 0.57 O ATOM 2249 CB ILE A 200 13.277 10.995 5.301 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.464 9.685 4.537 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.162 11.819 4.665 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.852 9.876 3.084 1.00 0.88 C ATOM 0 H ILE A 200 15.181 10.692 7.045 1.00 0.52 H new ATOM 0 HA ILE A 200 15.033 11.846 4.364 1.00 0.55 H new ATOM 0 HB ILE A 200 12.987 10.764 6.326 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.232 9.092 5.034 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.538 9.112 4.584 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.245 11.230 4.636 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.995 12.721 5.254 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.448 12.096 3.650 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.967 8.903 2.607 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.074 10.442 2.571 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.794 10.421 3.028 1.00 0.88 H new ATOM 2264 N GLU A 201 14.212 14.134 4.946 1.00 0.55 N ATOM 2265 CA GLU A 201 13.779 15.481 5.275 1.00 0.57 C ATOM 2266 C GLU A 201 12.256 15.533 5.308 1.00 0.49 C ATOM 2267 O GLU A 201 11.594 15.096 4.364 1.00 0.55 O ATOM 2268 CB GLU A 201 14.324 16.484 4.259 1.00 0.68 C ATOM 2269 CG GLU A 201 15.827 16.681 4.353 1.00 0.81 C ATOM 2270 CD GLU A 201 16.348 17.663 3.326 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.021 18.864 3.424 1.00 1.51 O ATOM 2272 OE2 GLU A 201 17.094 17.238 2.419 1.00 2.06 O ATOM 0 H GLU A 201 14.429 13.989 3.960 1.00 0.55 H new ATOM 0 HA GLU A 201 14.168 15.749 6.257 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.071 16.146 3.254 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.829 17.444 4.406 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.082 17.035 5.352 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.325 15.721 4.218 1.00 0.81 H new ATOM 2279 N PRO A 202 11.679 16.039 6.410 1.00 0.43 N ATOM 2280 CA PRO A 202 10.227 16.120 6.580 1.00 0.43 C ATOM 2281 C PRO A 202 9.542 16.809 5.403 1.00 0.45 C ATOM 2282 O PRO A 202 9.767 17.994 5.141 1.00 0.51 O ATOM 2283 CB PRO A 202 10.059 16.950 7.853 1.00 0.49 C ATOM 2284 CG PRO A 202 11.320 16.743 8.612 1.00 0.49 C ATOM 2285 CD PRO A 202 12.402 16.570 7.581 1.00 0.45 C ATOM 0 HA PRO A 202 9.771 15.132 6.638 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.906 18.004 7.620 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.193 16.621 8.428 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.530 17.595 9.259 1.00 0.49 H new ATOM 0 HG3 PRO A 202 11.249 15.865 9.254 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.895 17.515 7.354 1.00 0.45 H new ATOM 0 HD3 PRO A 202 13.175 15.881 7.922 1.00 0.45 H new ATOM 2293 N GLY A 203 8.715 16.060 4.691 1.00 0.44 N ATOM 2294 CA GLY A 203 7.994 16.624 3.573 1.00 0.52 C ATOM 2295 C GLY A 203 8.260 15.914 2.261 1.00 0.54 C ATOM 2296 O GLY A 203 7.548 16.138 1.283 1.00 0.70 O ATOM 0 H GLY A 203 8.531 15.072 4.868 1.00 0.44 H new ATOM 0 HA2 GLY A 203 6.925 16.589 3.785 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.264 17.675 3.470 1.00 0.52 H new ATOM 2300 N GLU A 204 9.281 15.067 2.217 1.00 0.48 N ATOM 2301 CA GLU A 204 9.577 14.321 0.998 1.00 0.51 C ATOM 2302 C GLU A 204 9.690 12.823 1.272 1.00 0.39 C ATOM 2303 O GLU A 204 10.477 12.384 2.109 1.00 0.40 O ATOM 2304 CB GLU A 204 10.857 14.847 0.346 1.00 0.65 C ATOM 2305 CG GLU A 204 12.065 14.862 1.269 1.00 0.71 C ATOM 2306 CD GLU A 204 13.298 15.416 0.593 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.122 14.616 0.103 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.448 16.654 0.539 1.00 1.27 O ATOM 0 H GLU A 204 9.910 14.880 2.998 1.00 0.48 H new ATOM 0 HA GLU A 204 8.747 14.469 0.308 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.087 14.233 -0.525 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.678 15.859 -0.016 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.838 15.460 2.151 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.268 13.848 1.615 1.00 0.71 H new ATOM 2315 N GLU A 205 8.877 12.048 0.574 1.00 0.47 N ATOM 2316 CA GLU A 205 8.899 10.600 0.694 1.00 0.51 C ATOM 2317 C GLU A 205 9.446 9.950 -0.576 1.00 0.43 C ATOM 2318 O GLU A 205 8.824 10.027 -1.631 1.00 0.49 O ATOM 2319 CB GLU A 205 7.494 10.075 1.012 1.00 0.80 C ATOM 2320 CG GLU A 205 6.392 10.704 0.166 1.00 1.49 C ATOM 2321 CD GLU A 205 5.740 9.722 -0.785 1.00 2.41 C ATOM 2322 OE1 GLU A 205 5.988 9.819 -2.004 1.00 2.84 O ATOM 2323 OE2 GLU A 205 4.996 8.839 -0.317 1.00 2.92 O ATOM 0 H GLU A 205 8.187 12.402 -0.088 1.00 0.47 H new ATOM 0 HA GLU A 205 9.565 10.334 1.515 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.479 8.995 0.866 1.00 0.80 H new ATOM 0 HB3 GLU A 205 7.279 10.257 2.065 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.631 11.123 0.824 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.809 11.532 -0.406 1.00 1.49 H new ATOM 2330 N LEU A 206 10.621 9.339 -0.491 1.00 0.37 N ATOM 2331 CA LEU A 206 11.138 8.579 -1.621 1.00 0.36 C ATOM 2332 C LEU A 206 11.404 7.135 -1.190 1.00 0.36 C ATOM 2333 O LEU A 206 12.446 6.850 -0.610 1.00 0.39 O ATOM 2334 CB LEU A 206 12.458 9.181 -2.161 1.00 0.41 C ATOM 2335 CG LEU A 206 12.499 10.687 -2.474 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.284 11.132 -3.276 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.663 11.500 -1.197 1.00 0.84 C ATOM 0 H LEU A 206 11.224 9.353 0.332 1.00 0.37 H new ATOM 0 HA LEU A 206 10.389 8.616 -2.412 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.241 8.971 -1.433 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.719 8.645 -3.073 1.00 0.41 H new ATOM 0 HG LEU A 206 13.371 10.872 -3.101 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.352 12.201 -3.476 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.252 10.588 -4.220 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.377 10.926 -2.707 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.689 12.562 -1.442 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.824 11.303 -0.530 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.593 11.218 -0.703 1.00 0.84 H new ATOM 2349 N LEU A 207 10.474 6.232 -1.494 1.00 0.37 N ATOM 2350 CA LEU A 207 10.636 4.798 -1.220 1.00 0.40 C ATOM 2351 C LEU A 207 9.914 3.983 -2.293 1.00 0.43 C ATOM 2352 O LEU A 207 8.690 3.883 -2.284 1.00 0.53 O ATOM 2353 CB LEU A 207 10.072 4.400 0.165 1.00 0.43 C ATOM 2354 CG LEU A 207 10.959 4.663 1.392 1.00 0.45 C ATOM 2355 CD1 LEU A 207 12.411 4.315 1.108 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.817 6.100 1.877 1.00 0.44 C ATOM 0 H LEU A 207 9.586 6.469 -1.937 1.00 0.37 H new ATOM 0 HA LEU A 207 11.706 4.588 -1.227 1.00 0.40 H new ATOM 0 HB2 LEU A 207 9.131 4.930 0.310 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.838 3.336 0.140 1.00 0.43 H new ATOM 0 HG LEU A 207 10.616 4.010 2.194 1.00 0.45 H new ATOM 0 HD11 LEU A 207 13.013 4.512 1.995 1.00 0.49 H new ATOM 0 HD12 LEU A 207 12.488 3.260 0.845 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.776 4.923 0.280 1.00 0.49 H new ATOM 0 HD21 LEU A 207 11.456 6.256 2.746 1.00 0.44 H new ATOM 0 HD22 LEU A 207 11.113 6.784 1.081 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.779 6.291 2.151 1.00 0.44 H new ATOM 2368 N VAL A 208 10.681 3.372 -3.180 1.00 0.43 N ATOM 2369 CA VAL A 208 10.171 2.536 -4.263 1.00 0.50 C ATOM 2370 C VAL A 208 11.263 1.551 -4.651 1.00 0.57 C ATOM 2371 O VAL A 208 12.438 1.800 -4.377 1.00 0.59 O ATOM 2372 CB VAL A 208 9.778 3.368 -5.517 1.00 0.48 C ATOM 2373 CG1 VAL A 208 9.050 2.507 -6.540 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.931 4.550 -5.123 1.00 0.88 C ATOM 0 H VAL A 208 11.699 3.442 -3.170 1.00 0.43 H new ATOM 0 HA VAL A 208 9.273 2.029 -3.911 1.00 0.50 H new ATOM 0 HB VAL A 208 10.695 3.736 -5.978 1.00 0.48 H new ATOM 0 HG11 VAL A 208 8.787 3.115 -7.406 1.00 0.91 H new ATOM 0 HG12 VAL A 208 9.698 1.689 -6.854 1.00 0.91 H new ATOM 0 HG13 VAL A 208 8.143 2.100 -6.093 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.666 5.120 -6.013 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.023 4.200 -4.633 1.00 0.88 H new ATOM 0 HG23 VAL A 208 9.491 5.187 -4.438 1.00 0.88 H new ATOM 2384 N HIS A 209 10.899 0.437 -5.260 1.00 0.69 N ATOM 2385 CA HIS A 209 11.897 -0.473 -5.783 1.00 0.82 C ATOM 2386 C HIS A 209 12.222 -0.072 -7.210 1.00 0.94 C ATOM 2387 O HIS A 209 11.393 -0.207 -8.106 1.00 1.09 O ATOM 2388 CB HIS A 209 11.399 -1.920 -5.743 1.00 1.02 C ATOM 2389 CG HIS A 209 12.507 -2.931 -5.702 1.00 1.20 C ATOM 2390 ND1 HIS A 209 12.603 -3.936 -6.632 1.00 1.42 N ATOM 2391 CD2 HIS A 209 13.518 -3.064 -4.810 1.00 1.41 C ATOM 2392 CE1 HIS A 209 13.657 -4.653 -6.287 1.00 1.54 C ATOM 2393 NE2 HIS A 209 14.245 -4.164 -5.185 1.00 1.55 N ATOM 0 H HIS A 209 9.932 0.145 -5.403 1.00 0.69 H new ATOM 0 HA HIS A 209 12.792 -0.414 -5.164 1.00 0.82 H new ATOM 0 HB2 HIS A 209 10.763 -2.053 -4.868 1.00 1.02 H new ATOM 0 HB3 HIS A 209 10.779 -2.107 -6.619 1.00 1.02 H new ATOM 0 HD2 HIS A 209 13.714 -2.424 -3.963 1.00 1.41 H new ATOM 0 HE1 HIS A 209 14.002 -5.524 -6.825 1.00 1.54 H new ATOM 0 HE2 HIS A 209 15.071 -4.537 -4.718 1.00 1.55 H new ATOM 2401 N VAL A 210 13.418 0.450 -7.409 1.00 1.14 N ATOM 2402 CA VAL A 210 13.850 0.875 -8.726 1.00 1.45 C ATOM 2403 C VAL A 210 15.159 0.195 -9.108 1.00 1.58 C ATOM 2404 O VAL A 210 16.252 0.655 -8.764 1.00 1.82 O ATOM 2405 CB VAL A 210 14.000 2.415 -8.802 1.00 1.92 C ATOM 2406 CG1 VAL A 210 12.632 3.072 -8.896 1.00 2.56 C ATOM 2407 CG2 VAL A 210 14.755 2.955 -7.592 1.00 2.44 C ATOM 0 H VAL A 210 14.109 0.590 -6.672 1.00 1.14 H new ATOM 0 HA VAL A 210 13.080 0.577 -9.438 1.00 1.45 H new ATOM 0 HB VAL A 210 14.575 2.653 -9.697 1.00 1.92 H new ATOM 0 HG11 VAL A 210 12.751 4.154 -8.949 1.00 2.56 H new ATOM 0 HG12 VAL A 210 12.120 2.719 -9.791 1.00 2.56 H new ATOM 0 HG13 VAL A 210 12.043 2.814 -8.016 1.00 2.56 H new ATOM 0 HG21 VAL A 210 14.845 4.038 -7.673 1.00 2.44 H new ATOM 0 HG22 VAL A 210 14.211 2.703 -6.682 1.00 2.44 H new ATOM 0 HG23 VAL A 210 15.749 2.510 -7.555 1.00 2.44 H new