USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 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 185 MET CE :methyl -136:sc= -0.923 (180deg=-3.2!) USER MOD Set 1.2: A 194 TYR OH : rot 180:sc= -0.0216 USER MOD Single : A 89 SER OG : rot 40:sc= 0.583 USER MOD Single : A 90 SER OG : rot 180:sc=-0.00619 USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= -1.55 (180deg=-2.06) USER MOD Single : A 103 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0628) USER MOD Single : A 104 MET CE :methyl -128:sc= -2.63! (180deg=-5.27!) USER MOD Single : A 113 CYS SG : rot -10:sc= 0.61 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 TYR OH : rot 130:sc= 0 USER MOD Single : A 176 CYS SG : rot 140:sc= 0.475 USER MOD Single : A 177 SER OG : rot -140:sc= 1.28 USER MOD Single : A 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN : amide:sc= -1.57! K(o=-1.6!,f=-1.1) USER MOD Single : A 182 ASN : amide:sc= -5.3! C(o=-5.3!,f=-10!) USER MOD Single : A 184 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 186 CYS SG : rot 180:sc= -0.701 USER MOD Single : A 187 GLN : amide:sc= -2.34! C(o=-2.3!,f=-1.9!) USER MOD Single : A 189 SER OG : rot -53:sc= 0.212 USER MOD Single : A 191 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 193 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -161:sc= -0.0797 (180deg=-0.441) USER MOD Single : A 198 LYS NZ :NH3+ -156:sc= 0.386 (180deg=0.186) USER MOD Single : A 209 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.636 4.543 4.021 1.00 1.90 N ATOM 389 CA ILE A 78 -6.649 3.542 4.402 1.00 1.74 C ATOM 390 C ILE A 78 -5.924 3.966 5.677 1.00 1.48 C ATOM 391 O ILE A 78 -5.520 5.124 5.814 1.00 1.42 O ATOM 392 CB ILE A 78 -5.629 3.322 3.257 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.348 2.792 2.012 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.521 2.364 3.681 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.444 2.609 0.813 1.00 2.45 C ATOM 0 HA ILE A 78 -7.169 2.603 4.591 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.167 4.281 3.021 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -6.814 1.836 2.253 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.151 3.480 1.748 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.821 2.230 2.856 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.994 2.776 4.541 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.955 1.401 3.949 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.026 2.231 -0.027 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -4.998 3.566 0.544 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -4.656 1.897 1.057 1.00 2.45 H new ATOM 407 N PRO A 79 -5.791 3.043 6.645 1.00 1.44 N ATOM 408 CA PRO A 79 -5.121 3.317 7.920 1.00 1.27 C ATOM 409 C PRO A 79 -3.634 3.606 7.748 1.00 1.11 C ATOM 410 O PRO A 79 -2.883 2.782 7.219 1.00 1.23 O ATOM 411 CB PRO A 79 -5.326 2.028 8.723 1.00 1.50 C ATOM 412 CG PRO A 79 -5.577 0.974 7.702 1.00 1.75 C ATOM 413 CD PRO A 79 -6.296 1.658 6.577 1.00 1.70 C ATOM 0 HA PRO A 79 -5.528 4.204 8.405 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.448 1.794 9.324 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -6.167 2.120 9.410 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -4.642 0.533 7.357 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -6.178 0.164 8.115 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -6.072 1.195 5.616 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.377 1.617 6.707 1.00 1.70 H new ATOM 421 N ILE A 80 -3.218 4.783 8.192 1.00 0.93 N ATOM 422 CA ILE A 80 -1.820 5.177 8.124 1.00 0.82 C ATOM 423 C ILE A 80 -1.294 5.475 9.527 1.00 0.72 C ATOM 424 O ILE A 80 -2.065 5.823 10.427 1.00 0.74 O ATOM 425 CB ILE A 80 -1.588 6.426 7.226 1.00 0.86 C ATOM 426 CG1 ILE A 80 -2.206 7.694 7.839 1.00 0.89 C ATOM 427 CG2 ILE A 80 -2.147 6.193 5.828 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.706 7.807 7.665 1.00 0.99 C ATOM 0 H ILE A 80 -3.833 5.484 8.605 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.282 4.341 7.678 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.511 6.580 7.158 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.973 7.718 8.904 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.734 8.567 7.389 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.975 7.078 5.215 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.649 5.336 5.375 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -3.218 5.999 5.892 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -4.057 8.730 8.127 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.949 7.817 6.603 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -4.193 6.955 8.140 1.00 0.99 H new ATOM 440 N PRO A 81 0.018 5.309 9.744 1.00 0.68 N ATOM 441 CA PRO A 81 0.661 5.708 10.993 1.00 0.67 C ATOM 442 C PRO A 81 0.620 7.220 11.169 1.00 0.64 C ATOM 443 O PRO A 81 0.640 7.973 10.195 1.00 0.61 O ATOM 444 CB PRO A 81 2.107 5.219 10.849 1.00 0.69 C ATOM 445 CG PRO A 81 2.080 4.247 9.721 1.00 0.71 C ATOM 446 CD PRO A 81 0.976 4.703 8.812 1.00 0.73 C ATOM 0 HA PRO A 81 0.162 5.288 11.867 1.00 0.67 H new ATOM 0 HB2 PRO A 81 2.784 6.047 10.639 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.456 4.747 11.767 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.036 4.230 9.197 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.896 3.235 10.082 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.331 5.421 8.073 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.535 3.871 8.262 1.00 0.73 H new ATOM 454 N ALA A 82 0.592 7.655 12.417 1.00 0.75 N ATOM 455 CA ALA A 82 0.406 9.059 12.759 1.00 0.80 C ATOM 456 C ALA A 82 1.639 9.903 12.442 1.00 0.71 C ATOM 457 O ALA A 82 1.709 11.067 12.831 1.00 0.78 O ATOM 458 CB ALA A 82 0.041 9.196 14.229 1.00 1.04 C ATOM 0 H ALA A 82 0.698 7.044 13.227 1.00 0.75 H new ATOM 0 HA ALA A 82 -0.410 9.436 12.143 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -0.096 10.249 14.473 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -0.884 8.655 14.426 1.00 1.04 H new ATOM 0 HB3 ALA A 82 0.841 8.782 14.843 1.00 1.04 H new ATOM 464 N ASP A 83 2.619 9.319 11.762 1.00 0.67 N ATOM 465 CA ASP A 83 3.838 10.042 11.427 1.00 0.70 C ATOM 466 C ASP A 83 3.954 10.263 9.920 1.00 0.55 C ATOM 467 O ASP A 83 4.911 10.869 9.437 1.00 0.60 O ATOM 468 CB ASP A 83 5.060 9.288 11.950 1.00 0.88 C ATOM 469 CG ASP A 83 6.247 10.202 12.143 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.147 11.164 12.929 1.00 1.39 O ATOM 471 OD2 ASP A 83 7.289 9.956 11.497 1.00 1.66 O ATOM 0 H ASP A 83 2.593 8.353 11.434 1.00 0.67 H new ATOM 0 HA ASP A 83 3.793 11.020 11.906 1.00 0.70 H new ATOM 0 HB2 ASP A 83 4.813 8.809 12.898 1.00 0.88 H new ATOM 0 HB3 ASP A 83 5.323 8.494 11.251 1.00 0.88 H new ATOM 476 N PHE A 84 2.953 9.803 9.184 1.00 0.45 N ATOM 477 CA PHE A 84 2.925 9.959 7.737 1.00 0.41 C ATOM 478 C PHE A 84 1.522 10.356 7.326 1.00 0.40 C ATOM 479 O PHE A 84 0.547 9.800 7.831 1.00 0.56 O ATOM 480 CB PHE A 84 3.323 8.658 7.019 1.00 0.42 C ATOM 481 CG PHE A 84 4.586 8.030 7.543 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.544 7.117 8.579 1.00 0.66 C ATOM 483 CD2 PHE A 84 5.817 8.359 6.996 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.702 6.539 9.061 1.00 0.87 C ATOM 485 CE2 PHE A 84 6.979 7.786 7.473 1.00 0.98 C ATOM 486 CZ PHE A 84 6.919 6.874 8.514 1.00 1.00 C ATOM 0 H PHE A 84 2.144 9.315 9.569 1.00 0.45 H new ATOM 0 HA PHE A 84 3.645 10.726 7.453 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.508 7.941 7.111 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.447 8.865 5.956 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.593 6.852 9.018 1.00 0.66 H new ATOM 0 HD2 PHE A 84 5.867 9.072 6.187 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.652 5.823 9.868 1.00 0.87 H new ATOM 0 HE2 PHE A 84 7.931 8.048 7.036 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.825 6.427 8.895 1.00 1.00 H new ATOM 496 N GLU A 85 1.401 11.319 6.435 1.00 0.39 N ATOM 497 CA GLU A 85 0.087 11.784 6.043 1.00 0.44 C ATOM 498 C GLU A 85 -0.112 11.662 4.539 1.00 0.39 C ATOM 499 O GLU A 85 0.728 12.100 3.752 1.00 0.40 O ATOM 500 CB GLU A 85 -0.136 13.228 6.496 1.00 0.61 C ATOM 501 CG GLU A 85 -1.575 13.691 6.340 1.00 1.15 C ATOM 502 CD GLU A 85 -1.813 15.066 6.920 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.857 15.195 8.159 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.956 16.026 6.139 1.00 2.27 O ATOM 0 H GLU A 85 2.182 11.788 5.976 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.650 11.150 6.535 1.00 0.44 H new ATOM 0 HB2 GLU A 85 0.158 13.323 7.541 1.00 0.61 H new ATOM 0 HB3 GLU A 85 0.515 13.887 5.921 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -1.837 13.697 5.282 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -2.237 12.976 6.828 1.00 1.15 H new ATOM 511 N LEU A 86 -1.223 11.062 4.143 1.00 0.41 N ATOM 512 CA LEU A 86 -1.544 10.909 2.735 1.00 0.43 C ATOM 513 C LEU A 86 -2.201 12.172 2.227 1.00 0.44 C ATOM 514 O LEU A 86 -3.137 12.687 2.838 1.00 0.48 O ATOM 515 CB LEU A 86 -2.460 9.704 2.524 1.00 0.52 C ATOM 516 CG LEU A 86 -2.709 9.285 1.067 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.076 7.813 1.003 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.820 10.115 0.436 1.00 0.70 C ATOM 0 H LEU A 86 -1.919 10.672 4.779 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.625 10.737 2.175 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -2.035 8.853 3.057 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.423 9.921 2.987 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.790 9.458 0.508 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.250 7.526 -0.034 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.261 7.217 1.412 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.981 7.638 1.585 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.973 9.795 -0.595 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.743 9.976 1.000 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.541 11.168 0.451 1.00 0.70 H new ATOM 530 N ARG A 87 -1.701 12.662 1.116 1.00 0.47 N ATOM 531 CA ARG A 87 -2.171 13.905 0.547 1.00 0.55 C ATOM 532 C ARG A 87 -2.163 13.803 -0.969 1.00 0.61 C ATOM 533 O ARG A 87 -1.142 13.444 -1.562 1.00 0.66 O ATOM 534 CB ARG A 87 -1.259 15.046 0.994 1.00 0.62 C ATOM 535 CG ARG A 87 -1.277 15.315 2.489 1.00 0.69 C ATOM 536 CD ARG A 87 -0.199 16.311 2.883 1.00 1.04 C ATOM 537 NE ARG A 87 -0.136 16.521 4.327 1.00 1.63 N ATOM 538 CZ ARG A 87 0.919 17.029 4.964 1.00 2.32 C ATOM 539 NH1 ARG A 87 1.992 17.411 4.280 1.00 2.62 N ATOM 540 NH2 ARG A 87 0.893 17.161 6.286 1.00 3.21 N ATOM 0 H ARG A 87 -0.958 12.211 0.582 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.187 14.102 0.888 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.237 14.818 0.690 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.552 15.956 0.470 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.255 15.700 2.780 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.128 14.381 3.031 1.00 0.69 H new ATOM 0 HD2 ARG A 87 0.768 15.955 2.528 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -0.390 17.263 2.388 1.00 1.04 H new ATOM 0 HE ARG A 87 -0.951 16.263 4.883 1.00 1.63 H new ATOM 0 HH11 ARG A 87 2.010 17.316 3.265 1.00 2.62 H new ATOM 0 HH12 ARG A 87 2.798 17.799 4.770 1.00 2.62 H new ATOM 0 HH21 ARG A 87 0.067 16.874 6.811 1.00 3.21 H new ATOM 0 HH22 ARG A 87 1.699 17.549 6.776 1.00 3.21 H new ATOM 554 N GLU A 88 -3.288 14.097 -1.599 1.00 0.73 N ATOM 555 CA GLU A 88 -3.360 14.030 -3.047 1.00 0.84 C ATOM 556 C GLU A 88 -2.766 15.293 -3.654 1.00 0.87 C ATOM 557 O GLU A 88 -3.320 16.385 -3.517 1.00 0.98 O ATOM 558 CB GLU A 88 -4.804 13.842 -3.521 1.00 1.06 C ATOM 559 CG GLU A 88 -4.921 13.623 -5.023 1.00 1.61 C ATOM 560 CD GLU A 88 -6.350 13.431 -5.484 1.00 1.96 C ATOM 561 OE1 GLU A 88 -6.976 14.418 -5.927 1.00 2.46 O ATOM 562 OE2 GLU A 88 -6.855 12.293 -5.419 1.00 2.21 O ATOM 0 H GLU A 88 -4.152 14.381 -1.138 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.783 13.167 -3.379 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.242 12.990 -3.001 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.388 14.719 -3.242 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -4.489 14.478 -5.544 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -4.334 12.749 -5.304 1.00 1.61 H new ATOM 569 N SER A 89 -1.632 15.132 -4.315 1.00 0.85 N ATOM 570 CA SER A 89 -0.964 16.236 -4.982 1.00 0.95 C ATOM 571 C SER A 89 0.041 15.689 -5.985 1.00 0.90 C ATOM 572 O SER A 89 1.148 15.307 -5.613 1.00 1.11 O ATOM 573 CB SER A 89 -0.261 17.134 -3.955 1.00 1.03 C ATOM 574 OG SER A 89 0.635 16.386 -3.143 1.00 1.58 O ATOM 0 H SER A 89 -1.151 14.237 -4.404 1.00 0.85 H new ATOM 0 HA SER A 89 -1.705 16.837 -5.510 1.00 0.95 H new ATOM 0 HB2 SER A 89 0.285 17.923 -4.472 1.00 1.03 H new ATOM 0 HB3 SER A 89 -1.005 17.622 -3.325 1.00 1.03 H new ATOM 0 HG SER A 89 1.105 15.727 -3.696 1.00 1.58 H new ATOM 580 N SER A 90 -0.358 15.619 -7.248 1.00 0.86 N ATOM 581 CA SER A 90 0.505 15.063 -8.276 1.00 0.88 C ATOM 582 C SER A 90 1.706 15.969 -8.522 1.00 0.87 C ATOM 583 O SER A 90 1.588 17.021 -9.153 1.00 1.02 O ATOM 584 CB SER A 90 -0.281 14.870 -9.572 1.00 1.13 C ATOM 585 OG SER A 90 -1.440 14.080 -9.356 1.00 1.86 O ATOM 0 H SER A 90 -1.267 15.938 -7.582 1.00 0.86 H new ATOM 0 HA SER A 90 0.870 14.095 -7.932 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.569 15.841 -9.974 1.00 1.13 H new ATOM 0 HB3 SER A 90 0.354 14.392 -10.318 1.00 1.13 H new ATOM 0 HG SER A 90 -1.925 13.973 -10.201 1.00 1.86 H new ATOM 591 N ILE A 91 2.856 15.557 -8.007 1.00 0.86 N ATOM 592 CA ILE A 91 4.099 16.269 -8.245 1.00 1.01 C ATOM 593 C ILE A 91 4.730 15.761 -9.541 1.00 1.09 C ATOM 594 O ILE A 91 4.965 14.561 -9.698 1.00 1.08 O ATOM 595 CB ILE A 91 5.069 16.132 -7.032 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.418 16.838 -7.288 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.285 14.670 -6.662 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.469 15.978 -7.967 1.00 1.45 C ATOM 0 H ILE A 91 2.952 14.729 -7.419 1.00 0.86 H new ATOM 0 HA ILE A 91 3.890 17.333 -8.355 1.00 1.01 H new ATOM 0 HB ILE A 91 4.595 16.632 -6.187 1.00 1.10 H new ATOM 0 HG12 ILE A 91 6.239 17.721 -7.902 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.815 17.188 -6.335 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.966 14.606 -5.813 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.330 14.217 -6.396 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.714 14.139 -7.512 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.381 16.559 -8.105 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.683 15.108 -7.347 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.098 15.649 -8.938 1.00 1.45 H new ATOM 610 N PRO A 92 4.963 16.673 -10.503 1.00 1.24 N ATOM 611 CA PRO A 92 5.523 16.331 -11.815 1.00 1.37 C ATOM 612 C PRO A 92 6.787 15.488 -11.716 1.00 1.47 C ATOM 613 O PRO A 92 7.792 15.917 -11.147 1.00 1.61 O ATOM 614 CB PRO A 92 5.837 17.692 -12.431 1.00 1.58 C ATOM 615 CG PRO A 92 4.870 18.621 -11.793 1.00 1.59 C ATOM 616 CD PRO A 92 4.687 18.118 -10.388 1.00 1.37 C ATOM 0 HA PRO A 92 4.831 15.727 -12.403 1.00 1.37 H new ATOM 0 HB2 PRO A 92 6.866 17.991 -12.230 1.00 1.58 H new ATOM 0 HB3 PRO A 92 5.716 17.675 -13.514 1.00 1.58 H new ATOM 0 HG2 PRO A 92 5.249 19.643 -11.796 1.00 1.59 H new ATOM 0 HG3 PRO A 92 3.923 18.630 -12.332 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.373 18.604 -9.695 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.678 18.306 -10.022 1.00 1.37 H new ATOM 624 N GLY A 93 6.729 14.290 -12.276 1.00 1.47 N ATOM 625 CA GLY A 93 7.865 13.397 -12.243 1.00 1.62 C ATOM 626 C GLY A 93 7.651 12.213 -11.322 1.00 1.58 C ATOM 627 O GLY A 93 8.326 11.190 -11.458 1.00 1.74 O ATOM 0 H GLY A 93 5.909 13.919 -12.756 1.00 1.47 H new ATOM 0 HA2 GLY A 93 8.068 13.036 -13.251 1.00 1.62 H new ATOM 0 HA3 GLY A 93 8.747 13.949 -11.919 1.00 1.62 H new ATOM 631 N ALA A 94 6.715 12.337 -10.386 1.00 1.40 N ATOM 632 CA ALA A 94 6.418 11.241 -9.473 1.00 1.40 C ATOM 633 C ALA A 94 4.916 10.986 -9.383 1.00 1.27 C ATOM 634 O ALA A 94 4.412 9.998 -9.919 1.00 1.38 O ATOM 635 CB ALA A 94 7.002 11.515 -8.093 1.00 1.41 C ATOM 0 H ALA A 94 6.155 13.177 -10.241 1.00 1.40 H new ATOM 0 HA ALA A 94 6.885 10.340 -9.871 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.768 10.684 -7.427 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.084 11.624 -8.171 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.572 12.433 -7.692 1.00 1.41 H new ATOM 641 N GLY A 95 4.200 11.885 -8.724 1.00 1.09 N ATOM 642 CA GLY A 95 2.773 11.722 -8.558 1.00 1.02 C ATOM 643 C GLY A 95 2.326 11.937 -7.126 1.00 0.91 C ATOM 644 O GLY A 95 2.674 12.942 -6.515 1.00 1.02 O ATOM 0 H GLY A 95 4.586 12.729 -8.300 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.252 12.426 -9.207 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.485 10.721 -8.878 1.00 1.02 H new ATOM 648 N LEU A 96 1.539 11.004 -6.600 1.00 0.79 N ATOM 649 CA LEU A 96 1.046 11.094 -5.227 1.00 0.70 C ATOM 650 C LEU A 96 1.882 10.219 -4.302 1.00 0.65 C ATOM 651 O LEU A 96 2.521 9.273 -4.752 1.00 0.99 O ATOM 652 CB LEU A 96 -0.412 10.631 -5.154 1.00 0.77 C ATOM 653 CG LEU A 96 -1.271 11.000 -6.357 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.613 10.288 -6.294 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.473 12.499 -6.418 1.00 2.31 C ATOM 0 H LEU A 96 1.227 10.174 -7.104 1.00 0.79 H new ATOM 0 HA LEU A 96 1.119 12.135 -4.912 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.427 9.548 -5.036 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -0.867 11.056 -4.259 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.754 10.680 -7.261 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -3.212 10.564 -7.161 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -2.453 9.210 -6.292 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -3.137 10.579 -5.384 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.088 12.748 -7.282 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.971 12.836 -5.509 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -0.506 12.993 -6.507 1.00 2.31 H new ATOM 667 N GLY A 97 1.852 10.532 -3.014 1.00 0.59 N ATOM 668 CA GLY A 97 2.542 9.726 -2.027 1.00 0.57 C ATOM 669 C GLY A 97 2.077 10.058 -0.624 1.00 0.52 C ATOM 670 O GLY A 97 1.192 10.901 -0.450 1.00 0.55 O ATOM 0 H GLY A 97 1.357 11.338 -2.632 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.367 8.669 -2.230 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.616 9.892 -2.105 1.00 0.57 H new ATOM 674 N VAL A 98 2.637 9.388 0.377 1.00 0.48 N ATOM 675 CA VAL A 98 2.341 9.729 1.761 1.00 0.46 C ATOM 676 C VAL A 98 3.503 10.518 2.350 1.00 0.47 C ATOM 677 O VAL A 98 4.639 10.046 2.407 1.00 0.67 O ATOM 678 CB VAL A 98 2.015 8.497 2.644 1.00 0.47 C ATOM 679 CG1 VAL A 98 0.794 7.770 2.109 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.197 7.544 2.753 1.00 0.53 C ATOM 0 H VAL A 98 3.291 8.614 0.257 1.00 0.48 H new ATOM 0 HA VAL A 98 1.438 10.339 1.754 1.00 0.46 H new ATOM 0 HB VAL A 98 1.799 8.863 3.648 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.578 6.908 2.740 1.00 0.49 H new ATOM 0 HG12 VAL A 98 -0.062 8.445 2.112 1.00 0.49 H new ATOM 0 HG13 VAL A 98 0.988 7.435 1.090 1.00 0.49 H new ATOM 0 HG21 VAL A 98 2.924 6.696 3.381 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.470 7.188 1.760 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.045 8.065 3.197 1.00 0.53 H new ATOM 690 N TRP A 99 3.211 11.729 2.771 1.00 0.38 N ATOM 691 CA TRP A 99 4.238 12.669 3.167 1.00 0.39 C ATOM 692 C TRP A 99 4.659 12.441 4.610 1.00 0.35 C ATOM 693 O TRP A 99 3.857 12.593 5.536 1.00 0.38 O ATOM 694 CB TRP A 99 3.728 14.101 2.975 1.00 0.44 C ATOM 695 CG TRP A 99 3.231 14.363 1.583 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.016 14.007 1.070 1.00 0.66 C ATOM 697 CD2 TRP A 99 3.933 15.025 0.524 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.921 14.403 -0.241 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.084 15.031 -0.600 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.195 15.616 0.417 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.459 15.599 -1.813 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.564 16.178 -0.791 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.699 16.169 -1.891 1.00 1.06 C ATOM 0 H TRP A 99 2.260 12.089 2.849 1.00 0.38 H new ATOM 0 HA TRP A 99 5.114 12.514 2.537 1.00 0.39 H new ATOM 0 HB2 TRP A 99 2.923 14.293 3.685 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.531 14.801 3.206 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.242 13.489 1.617 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.116 14.254 -0.849 1.00 0.69 H new ATOM 0 HE3 TRP A 99 5.868 15.633 1.261 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.794 15.590 -2.664 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.539 16.633 -0.888 1.00 1.13 H new ATOM 0 HH2 TRP A 99 5.017 16.621 -2.819 1.00 1.06 H new ATOM 714 N ALA A 100 5.908 12.034 4.793 1.00 0.39 N ATOM 715 CA ALA A 100 6.484 11.923 6.117 1.00 0.42 C ATOM 716 C ALA A 100 6.761 13.318 6.657 1.00 0.43 C ATOM 717 O ALA A 100 7.577 14.056 6.100 1.00 0.49 O ATOM 718 CB ALA A 100 7.765 11.098 6.078 1.00 0.54 C ATOM 0 H ALA A 100 6.540 11.775 4.035 1.00 0.39 H new ATOM 0 HA ALA A 100 5.781 11.414 6.776 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.182 11.026 7.082 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.543 10.098 5.705 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.487 11.579 5.418 1.00 0.54 H new ATOM 724 N LYS A 101 6.068 13.688 7.725 1.00 0.47 N ATOM 725 CA LYS A 101 6.197 15.024 8.273 1.00 0.57 C ATOM 726 C LYS A 101 7.265 15.031 9.359 1.00 0.56 C ATOM 727 O LYS A 101 7.528 16.051 10.002 1.00 0.63 O ATOM 728 CB LYS A 101 4.844 15.499 8.812 1.00 0.69 C ATOM 729 CG LYS A 101 3.660 14.865 8.087 1.00 1.17 C ATOM 730 CD LYS A 101 3.202 13.602 8.800 1.00 0.84 C ATOM 731 CE LYS A 101 2.345 13.955 9.976 1.00 0.88 C ATOM 732 NZ LYS A 101 2.188 12.834 10.925 1.00 1.68 N ATOM 0 H LYS A 101 5.415 13.084 8.224 1.00 0.47 H new ATOM 0 HA LYS A 101 6.506 15.716 7.490 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.780 15.266 9.875 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.782 16.583 8.719 1.00 0.69 H new ATOM 0 HG2 LYS A 101 2.836 15.577 8.035 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.941 14.627 7.061 1.00 1.17 H new ATOM 0 HD2 LYS A 101 2.644 12.969 8.111 1.00 0.84 H new ATOM 0 HD3 LYS A 101 4.068 13.028 9.131 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.782 14.807 10.496 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.362 14.267 9.623 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 1.358 13.004 11.529 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 2.056 11.948 10.397 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 3.039 12.760 11.519 1.00 1.68 H new ATOM 746 N ARG A 102 7.877 13.872 9.549 1.00 0.54 N ATOM 747 CA ARG A 102 9.023 13.729 10.425 1.00 0.58 C ATOM 748 C ARG A 102 10.155 13.089 9.633 1.00 0.54 C ATOM 749 O ARG A 102 9.915 12.480 8.589 1.00 0.54 O ATOM 750 CB ARG A 102 8.688 12.860 11.638 1.00 0.72 C ATOM 751 CG ARG A 102 9.657 13.031 12.792 1.00 0.83 C ATOM 752 CD ARG A 102 9.366 12.042 13.900 1.00 1.16 C ATOM 753 NE ARG A 102 8.014 12.188 14.431 1.00 1.80 N ATOM 754 CZ ARG A 102 7.721 12.705 15.624 1.00 2.52 C ATOM 755 NH1 ARG A 102 8.675 13.232 16.382 1.00 2.75 N ATOM 756 NH2 ARG A 102 6.466 12.716 16.050 1.00 3.50 N ATOM 0 H ARG A 102 7.590 13.004 9.097 1.00 0.54 H new ATOM 0 HA ARG A 102 9.317 14.713 10.791 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.682 13.101 11.981 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.679 11.813 11.334 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.678 12.893 12.437 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.589 14.047 13.180 1.00 0.83 H new ATOM 0 HD2 ARG A 102 9.498 11.028 13.523 1.00 1.16 H new ATOM 0 HD3 ARG A 102 10.087 12.179 14.706 1.00 1.16 H new ATOM 0 HE ARG A 102 7.239 11.872 13.848 1.00 1.80 H new ATOM 0 HH11 ARG A 102 9.640 13.243 16.053 1.00 2.75 H new ATOM 0 HH12 ARG A 102 8.443 13.626 17.294 1.00 2.75 H new ATOM 0 HH21 ARG A 102 5.725 12.329 15.465 1.00 3.50 H new ATOM 0 HH22 ARG A 102 6.241 13.111 16.963 1.00 3.50 H new ATOM 770 N LYS A 103 11.376 13.223 10.125 1.00 0.59 N ATOM 771 CA LYS A 103 12.542 12.702 9.425 1.00 0.63 C ATOM 772 C LYS A 103 12.563 11.175 9.449 1.00 0.68 C ATOM 773 O LYS A 103 11.965 10.546 10.323 1.00 0.82 O ATOM 774 CB LYS A 103 13.838 13.259 10.046 1.00 0.73 C ATOM 775 CG LYS A 103 14.369 12.481 11.251 1.00 0.98 C ATOM 776 CD LYS A 103 13.338 12.366 12.363 1.00 1.17 C ATOM 777 CE LYS A 103 13.869 11.564 13.545 1.00 2.05 C ATOM 778 NZ LYS A 103 14.985 12.260 14.241 1.00 2.40 N ATOM 0 H LYS A 103 11.587 13.689 11.008 1.00 0.59 H new ATOM 0 HA LYS A 103 12.480 13.026 8.386 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.611 13.279 9.278 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.662 14.291 10.349 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.670 11.483 10.933 1.00 0.98 H new ATOM 0 HG3 LYS A 103 15.261 12.975 11.635 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.053 13.363 12.699 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.437 11.890 11.976 1.00 1.17 H new ATOM 0 HE2 LYS A 103 13.059 11.383 14.252 1.00 2.05 H new ATOM 0 HE3 LYS A 103 14.212 10.590 13.196 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 15.235 11.737 15.105 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 15.812 12.305 13.612 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 14.689 13.225 14.493 1.00 2.40 H new ATOM 792 N MET A 104 13.244 10.595 8.481 1.00 0.73 N ATOM 793 CA MET A 104 13.510 9.167 8.471 1.00 0.83 C ATOM 794 C MET A 104 15.013 8.960 8.472 1.00 0.87 C ATOM 795 O MET A 104 15.744 9.802 7.960 1.00 0.93 O ATOM 796 CB MET A 104 12.873 8.502 7.252 1.00 0.85 C ATOM 797 CG MET A 104 11.367 8.343 7.370 1.00 0.97 C ATOM 798 SD MET A 104 10.583 8.000 5.787 1.00 1.22 S ATOM 799 CE MET A 104 10.940 9.531 4.940 1.00 0.92 C ATOM 0 H MET A 104 13.628 11.097 7.681 1.00 0.73 H new ATOM 0 HA MET A 104 13.072 8.706 9.357 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.100 9.093 6.365 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.324 7.521 7.105 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.144 7.534 8.065 1.00 0.97 H new ATOM 0 HG3 MET A 104 10.941 9.253 7.793 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.018 9.943 4.529 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.374 10.243 5.642 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.646 9.343 4.131 1.00 0.92 H new ATOM 809 N GLU A 105 15.473 7.875 9.063 1.00 0.90 N ATOM 810 CA GLU A 105 16.900 7.678 9.260 1.00 0.93 C ATOM 811 C GLU A 105 17.416 6.431 8.556 1.00 0.89 C ATOM 812 O GLU A 105 16.652 5.649 7.989 1.00 1.13 O ATOM 813 CB GLU A 105 17.209 7.607 10.750 1.00 1.08 C ATOM 814 CG GLU A 105 16.808 8.866 11.495 1.00 1.64 C ATOM 815 CD GLU A 105 17.117 8.789 12.966 1.00 1.94 C ATOM 816 OE1 GLU A 105 16.292 8.234 13.721 1.00 2.25 O ATOM 817 OE2 GLU A 105 18.189 9.274 13.378 1.00 2.31 O ATOM 0 H GLU A 105 14.885 7.119 9.414 1.00 0.90 H new ATOM 0 HA GLU A 105 17.413 8.531 8.816 1.00 0.93 H new ATOM 0 HB2 GLU A 105 16.689 6.753 11.184 1.00 1.08 H new ATOM 0 HB3 GLU A 105 18.276 7.434 10.887 1.00 1.08 H new ATOM 0 HG2 GLU A 105 17.327 9.721 11.062 1.00 1.64 H new ATOM 0 HG3 GLU A 105 15.740 9.040 11.360 1.00 1.64 H new ATOM 824 N ALA A 106 18.730 6.272 8.596 1.00 0.78 N ATOM 825 CA ALA A 106 19.406 5.171 7.932 1.00 0.78 C ATOM 826 C ALA A 106 19.068 3.830 8.566 1.00 0.76 C ATOM 827 O ALA A 106 19.383 3.586 9.733 1.00 0.78 O ATOM 828 CB ALA A 106 20.909 5.396 7.966 1.00 0.84 C ATOM 0 H ALA A 106 19.358 6.905 9.091 1.00 0.78 H new ATOM 0 HA ALA A 106 19.059 5.143 6.899 1.00 0.78 H new ATOM 0 HB1 ALA A 106 21.412 4.568 7.467 1.00 0.84 H new ATOM 0 HB2 ALA A 106 21.149 6.328 7.454 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.245 5.454 9.001 1.00 0.84 H new ATOM 834 N GLY A 107 18.411 2.974 7.799 1.00 0.83 N ATOM 835 CA GLY A 107 18.196 1.610 8.231 1.00 0.91 C ATOM 836 C GLY A 107 16.828 1.376 8.834 1.00 0.87 C ATOM 837 O GLY A 107 16.530 0.267 9.273 1.00 1.04 O ATOM 0 H GLY A 107 18.022 3.200 6.884 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.328 0.943 7.379 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.958 1.345 8.964 1.00 0.91 H new ATOM 841 N GLU A 108 15.989 2.402 8.864 1.00 0.71 N ATOM 842 CA GLU A 108 14.653 2.238 9.417 1.00 0.74 C ATOM 843 C GLU A 108 13.693 1.723 8.356 1.00 0.61 C ATOM 844 O GLU A 108 14.003 1.728 7.167 1.00 0.61 O ATOM 845 CB GLU A 108 14.123 3.541 10.012 1.00 0.87 C ATOM 846 CG GLU A 108 13.857 4.644 9.000 1.00 0.85 C ATOM 847 CD GLU A 108 12.964 5.717 9.585 1.00 1.78 C ATOM 848 OE1 GLU A 108 11.743 5.683 9.335 1.00 2.62 O ATOM 849 OE2 GLU A 108 13.476 6.583 10.326 1.00 2.13 O ATOM 0 H GLU A 108 16.203 3.338 8.520 1.00 0.71 H new ATOM 0 HA GLU A 108 14.723 1.505 10.221 1.00 0.74 H new ATOM 0 HB2 GLU A 108 13.198 3.329 10.548 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.841 3.907 10.746 1.00 0.87 H new ATOM 0 HG2 GLU A 108 14.801 5.086 8.683 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.388 4.221 8.111 1.00 0.85 H new ATOM 856 N ARG A 109 12.533 1.270 8.793 1.00 0.63 N ATOM 857 CA ARG A 109 11.531 0.747 7.898 1.00 0.56 C ATOM 858 C ARG A 109 10.195 1.429 8.148 1.00 0.46 C ATOM 859 O ARG A 109 9.857 1.737 9.290 1.00 0.55 O ATOM 860 CB ARG A 109 11.407 -0.756 8.126 1.00 0.73 C ATOM 861 CG ARG A 109 10.124 -1.355 7.595 1.00 0.80 C ATOM 862 CD ARG A 109 9.351 -2.059 8.693 1.00 1.22 C ATOM 863 NE ARG A 109 9.163 -1.224 9.880 1.00 2.02 N ATOM 864 CZ ARG A 109 8.261 -1.473 10.826 1.00 2.71 C ATOM 865 NH1 ARG A 109 7.460 -2.529 10.724 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.156 -0.664 11.874 1.00 3.62 N ATOM 0 H ARG A 109 12.264 1.256 9.777 1.00 0.63 H new ATOM 0 HA ARG A 109 11.823 0.939 6.866 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.252 -1.256 7.653 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.475 -0.958 9.195 1.00 0.73 H new ATOM 0 HG2 ARG A 109 9.507 -0.570 7.158 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.353 -2.062 6.797 1.00 0.80 H new ATOM 0 HD2 ARG A 109 8.377 -2.361 8.309 1.00 1.22 H new ATOM 0 HD3 ARG A 109 9.878 -2.970 8.975 1.00 1.22 H new ATOM 0 HE ARG A 109 9.758 -0.403 9.989 1.00 2.02 H new ATOM 0 HH11 ARG A 109 7.536 -3.151 9.919 1.00 2.91 H new ATOM 0 HH12 ARG A 109 6.769 -2.717 11.451 1.00 2.91 H new ATOM 0 HH21 ARG A 109 8.767 0.149 11.954 1.00 3.62 H new ATOM 0 HH22 ARG A 109 7.464 -0.855 12.599 1.00 3.62 H new ATOM 880 N LEU A 110 9.438 1.669 7.089 1.00 0.38 N ATOM 881 CA LEU A 110 8.087 2.176 7.249 1.00 0.39 C ATOM 882 C LEU A 110 7.156 0.992 7.419 1.00 0.49 C ATOM 883 O LEU A 110 7.147 0.084 6.590 1.00 0.53 O ATOM 884 CB LEU A 110 7.633 3.008 6.049 1.00 0.35 C ATOM 885 CG LEU A 110 8.596 4.095 5.560 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.834 5.120 4.728 1.00 0.39 C ATOM 887 CD2 LEU A 110 9.314 4.773 6.725 1.00 0.41 C ATOM 0 H LEU A 110 9.732 1.523 6.123 1.00 0.38 H new ATOM 0 HA LEU A 110 8.065 2.829 8.121 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.437 2.329 5.219 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.685 3.483 6.303 1.00 0.35 H new ATOM 0 HG LEU A 110 9.358 3.624 4.939 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.522 5.892 4.382 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.380 4.626 3.869 1.00 0.39 H new ATOM 0 HD13 LEU A 110 7.054 5.576 5.338 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.989 5.538 6.341 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.580 5.235 7.386 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.886 4.031 7.281 1.00 0.41 H new ATOM 899 N GLY A 111 6.382 0.992 8.483 1.00 0.61 N ATOM 900 CA GLY A 111 5.595 -0.176 8.800 1.00 0.77 C ATOM 901 C GLY A 111 4.215 0.159 9.315 1.00 0.88 C ATOM 902 O GLY A 111 3.993 1.256 9.830 1.00 1.02 O ATOM 0 H GLY A 111 6.282 1.773 9.131 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.503 -0.797 7.909 1.00 0.77 H new ATOM 0 HA3 GLY A 111 6.121 -0.769 9.548 1.00 0.77 H new ATOM 906 N PRO A 112 3.264 -0.777 9.197 1.00 1.23 N ATOM 907 CA PRO A 112 3.512 -2.081 8.572 1.00 1.24 C ATOM 908 C PRO A 112 3.555 -1.991 7.049 1.00 1.05 C ATOM 909 O PRO A 112 2.968 -1.088 6.452 1.00 1.19 O ATOM 910 CB PRO A 112 2.323 -2.921 9.028 1.00 1.78 C ATOM 911 CG PRO A 112 1.223 -1.942 9.260 1.00 2.10 C ATOM 912 CD PRO A 112 1.877 -0.647 9.675 1.00 1.83 C ATOM 0 HA PRO A 112 4.478 -2.498 8.858 1.00 1.24 H new ATOM 0 HB2 PRO A 112 2.045 -3.654 8.271 1.00 1.78 H new ATOM 0 HB3 PRO A 112 2.557 -3.474 9.938 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.630 -1.804 8.356 1.00 2.10 H new ATOM 0 HG3 PRO A 112 0.544 -2.299 10.035 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.379 0.213 9.226 1.00 1.83 H new ATOM 0 HD3 PRO A 112 1.839 -0.509 10.756 1.00 1.83 H new ATOM 920 N CYS A 113 4.264 -2.927 6.433 1.00 1.00 N ATOM 921 CA CYS A 113 4.442 -2.924 4.989 1.00 1.00 C ATOM 922 C CYS A 113 3.369 -3.762 4.303 1.00 1.17 C ATOM 923 O CYS A 113 3.104 -3.595 3.115 1.00 1.67 O ATOM 924 CB CYS A 113 5.825 -3.452 4.627 1.00 1.05 C ATOM 925 SG CYS A 113 7.192 -2.575 5.424 1.00 2.00 S ATOM 0 H CYS A 113 4.726 -3.700 6.913 1.00 1.00 H new ATOM 0 HA CYS A 113 4.349 -1.896 4.640 1.00 1.00 H new ATOM 0 HB2 CYS A 113 5.880 -4.507 4.896 1.00 1.05 H new ATOM 0 HB3 CYS A 113 5.952 -3.392 3.546 1.00 1.05 H new ATOM 0 HG CYS A 113 6.740 -1.503 6.004 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.250 -2.286 4.672 1.00 1.30 N ATOM 1693 CA GLY A 166 0.815 -1.514 4.069 1.00 1.24 C ATOM 1694 C GLY A 166 0.379 -0.902 2.758 1.00 1.03 C ATOM 1695 O GLY A 166 1.198 -0.419 1.977 1.00 1.05 O ATOM 0 HA2 GLY A 166 1.128 -0.726 4.754 1.00 1.24 H new ATOM 0 HA3 GLY A 166 1.681 -2.154 3.903 1.00 1.24 H new ATOM 1699 N SER A 167 -0.928 -0.915 2.527 1.00 0.98 N ATOM 1700 CA SER A 167 -1.513 -0.362 1.314 1.00 0.99 C ATOM 1701 C SER A 167 -1.283 1.148 1.245 1.00 0.78 C ATOM 1702 O SER A 167 -1.382 1.760 0.185 1.00 0.86 O ATOM 1703 CB SER A 167 -3.011 -0.679 1.272 1.00 1.17 C ATOM 1704 OG SER A 167 -3.561 -0.440 -0.011 1.00 1.82 O ATOM 0 H SER A 167 -1.610 -1.309 3.175 1.00 0.98 H new ATOM 0 HA SER A 167 -1.029 -0.817 0.450 1.00 0.99 H new ATOM 0 HB2 SER A 167 -3.170 -1.721 1.548 1.00 1.17 H new ATOM 0 HB3 SER A 167 -3.533 -0.071 2.011 1.00 1.17 H new ATOM 0 HG SER A 167 -4.517 -0.654 -0.002 1.00 1.82 H new ATOM 1710 N TRP A 168 -0.955 1.744 2.381 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.652 3.166 2.437 1.00 0.51 C ATOM 1712 C TRP A 168 0.727 3.438 1.835 1.00 0.42 C ATOM 1713 O TRP A 168 1.023 4.546 1.391 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.705 3.666 3.886 1.00 0.56 C ATOM 1715 CG TRP A 168 0.314 3.029 4.786 1.00 0.55 C ATOM 1716 CD1 TRP A 168 0.284 1.763 5.294 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.508 3.634 5.292 1.00 0.49 C ATOM 1718 NE1 TRP A 168 1.396 1.536 6.069 1.00 0.70 N ATOM 1719 CE2 TRP A 168 2.161 2.673 6.088 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.091 4.895 5.147 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.368 2.935 6.732 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.289 5.155 5.787 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.915 4.179 6.571 1.00 0.50 C ATOM 0 H TRP A 168 -0.892 1.264 3.279 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.400 3.704 1.855 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.557 4.746 3.893 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.700 3.478 4.289 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.501 1.043 5.113 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.616 0.664 6.551 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.614 5.654 4.545 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.854 2.184 7.336 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.749 6.126 5.680 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.850 4.413 7.059 1.00 0.50 H new ATOM 1734 N LEU A 169 1.554 2.403 1.800 1.00 0.41 N ATOM 1735 CA LEU A 169 2.928 2.532 1.345 1.00 0.38 C ATOM 1736 C LEU A 169 3.047 2.386 -0.163 1.00 0.39 C ATOM 1737 O LEU A 169 4.021 2.841 -0.761 1.00 0.41 O ATOM 1738 CB LEU A 169 3.806 1.498 2.042 1.00 0.44 C ATOM 1739 CG LEU A 169 4.188 1.841 3.476 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.817 0.644 4.160 1.00 0.66 C ATOM 1741 CD2 LEU A 169 5.141 3.022 3.495 1.00 0.55 C ATOM 0 H LEU A 169 1.293 1.459 2.084 1.00 0.41 H new ATOM 0 HA LEU A 169 3.267 3.535 1.603 1.00 0.38 H new ATOM 0 HB2 LEU A 169 3.285 0.540 2.040 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.718 1.366 1.460 1.00 0.44 H new ATOM 0 HG LEU A 169 3.284 2.111 4.021 1.00 0.46 H new ATOM 0 HD11 LEU A 169 5.083 0.908 5.183 1.00 0.66 H new ATOM 0 HD12 LEU A 169 4.107 -0.183 4.172 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.714 0.345 3.618 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.407 3.258 4.525 1.00 0.55 H new ATOM 0 HD22 LEU A 169 6.042 2.771 2.936 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.659 3.886 3.038 1.00 0.55 H new ATOM 1753 N LYS A 170 2.051 1.776 -0.793 1.00 0.44 N ATOM 1754 CA LYS A 170 2.098 1.574 -2.237 1.00 0.52 C ATOM 1755 C LYS A 170 1.897 2.898 -2.971 1.00 0.50 C ATOM 1756 O LYS A 170 2.006 2.967 -4.195 1.00 0.61 O ATOM 1757 CB LYS A 170 1.061 0.529 -2.684 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.394 0.940 -2.488 1.00 0.74 C ATOM 1759 CD LYS A 170 -0.988 1.566 -3.742 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.457 1.909 -3.551 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.079 2.432 -4.795 1.00 1.48 N ATOM 0 H LYS A 170 1.213 1.417 -0.336 1.00 0.44 H new ATOM 0 HA LYS A 170 3.085 1.190 -2.495 1.00 0.52 H new ATOM 0 HB2 LYS A 170 1.221 0.308 -3.739 1.00 0.66 H new ATOM 0 HB3 LYS A 170 1.239 -0.395 -2.134 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -0.982 0.066 -2.207 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.462 1.649 -1.663 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.433 2.469 -3.997 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.880 0.877 -4.580 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.996 1.020 -3.224 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.555 2.651 -2.759 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.080 2.652 -4.617 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.583 3.295 -5.095 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.010 1.715 -5.545 1.00 1.48 H new ATOM 1775 N TYR A 171 1.617 3.949 -2.207 1.00 0.45 N ATOM 1776 CA TYR A 171 1.418 5.271 -2.771 1.00 0.52 C ATOM 1777 C TYR A 171 2.744 5.960 -3.082 1.00 0.53 C ATOM 1778 O TYR A 171 2.847 6.652 -4.089 1.00 0.68 O ATOM 1779 CB TYR A 171 0.584 6.142 -1.829 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.888 5.793 -1.823 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.766 6.370 -2.729 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.396 4.884 -0.903 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -3.111 6.052 -2.718 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.737 4.561 -0.887 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.593 5.156 -1.829 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.931 4.828 -1.778 1.00 1.97 O ATOM 0 H TYR A 171 1.523 3.906 -1.192 1.00 0.45 H new ATOM 0 HA TYR A 171 0.878 5.143 -3.709 1.00 0.52 H new ATOM 0 HB2 TYR A 171 0.976 6.045 -0.816 1.00 0.56 H new ATOM 0 HB3 TYR A 171 0.700 7.187 -2.117 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.393 7.078 -3.454 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.730 4.423 -0.189 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.780 6.522 -3.424 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.123 3.861 -0.161 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.029 3.853 -1.786 1.00 1.97 H new ATOM 1796 N ILE A 172 3.755 5.768 -2.233 1.00 0.43 N ATOM 1797 CA ILE A 172 5.048 6.418 -2.450 1.00 0.46 C ATOM 1798 C ILE A 172 5.670 5.935 -3.758 1.00 0.56 C ATOM 1799 O ILE A 172 5.707 4.734 -4.032 1.00 0.67 O ATOM 1800 CB ILE A 172 6.043 6.191 -1.281 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.368 5.470 -0.100 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.645 7.519 -0.848 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.952 5.796 1.265 1.00 0.54 C ATOM 0 H ILE A 172 3.706 5.178 -1.402 1.00 0.43 H new ATOM 0 HA ILE A 172 4.853 7.489 -2.503 1.00 0.46 H new ATOM 0 HB ILE A 172 6.847 5.543 -1.632 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.308 5.724 -0.096 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.438 4.394 -0.262 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.342 7.352 -0.027 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.174 7.970 -1.688 1.00 0.57 H new ATOM 0 HG23 ILE A 172 5.850 8.188 -0.518 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.413 5.242 2.033 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.005 5.515 1.287 1.00 0.54 H new ATOM 0 HD13 ILE A 172 5.858 6.865 1.455 1.00 0.54 H new ATOM 1815 N ARG A 173 6.130 6.876 -4.573 1.00 0.71 N ATOM 1816 CA ARG A 173 6.629 6.555 -5.904 1.00 0.92 C ATOM 1817 C ARG A 173 8.116 6.853 -6.027 1.00 0.69 C ATOM 1818 O ARG A 173 8.776 7.157 -5.036 1.00 0.61 O ATOM 1819 CB ARG A 173 5.849 7.335 -6.960 1.00 1.38 C ATOM 1820 CG ARG A 173 4.370 7.002 -6.983 1.00 1.82 C ATOM 1821 CD ARG A 173 3.643 7.786 -8.054 1.00 2.22 C ATOM 1822 NE ARG A 173 2.210 7.512 -8.064 1.00 2.79 N ATOM 1823 CZ ARG A 173 1.356 8.059 -8.926 1.00 3.52 C ATOM 1824 NH1 ARG A 173 1.795 8.893 -9.858 1.00 3.84 N ATOM 1825 NH2 ARG A 173 0.065 7.770 -8.856 1.00 4.34 N ATOM 0 H ARG A 173 6.168 7.867 -4.336 1.00 0.71 H new ATOM 0 HA ARG A 173 6.486 5.487 -6.067 1.00 0.92 H new ATOM 0 HB2 ARG A 173 5.971 8.403 -6.776 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.276 7.130 -7.942 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.239 5.934 -7.159 1.00 1.82 H new ATOM 0 HG3 ARG A 173 3.931 7.220 -6.009 1.00 1.82 H new ATOM 0 HD2 ARG A 173 3.806 8.852 -7.895 1.00 2.22 H new ATOM 0 HD3 ARG A 173 4.064 7.542 -9.029 1.00 2.22 H new ATOM 0 HE ARG A 173 1.841 6.863 -7.369 1.00 2.79 H new ATOM 0 HH11 ARG A 173 2.789 9.116 -9.915 1.00 3.84 H new ATOM 0 HH12 ARG A 173 1.139 9.311 -10.518 1.00 3.84 H new ATOM 0 HH21 ARG A 173 -0.276 7.128 -8.141 1.00 4.34 H new ATOM 0 HH22 ARG A 173 -0.588 8.190 -9.517 1.00 4.34 H new ATOM 1839 N VAL A 174 8.637 6.764 -7.251 1.00 0.70 N ATOM 1840 CA VAL A 174 10.058 6.972 -7.494 1.00 0.63 C ATOM 1841 C VAL A 174 10.388 8.462 -7.453 1.00 0.55 C ATOM 1842 O VAL A 174 9.618 9.293 -7.935 1.00 0.62 O ATOM 1843 CB VAL A 174 10.503 6.384 -8.855 1.00 0.73 C ATOM 1844 CG1 VAL A 174 12.021 6.273 -8.921 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.862 5.026 -9.104 1.00 1.07 C ATOM 0 H VAL A 174 8.094 6.549 -8.087 1.00 0.70 H new ATOM 0 HA VAL A 174 10.601 6.451 -6.706 1.00 0.63 H new ATOM 0 HB VAL A 174 10.168 7.065 -9.637 1.00 0.73 H new ATOM 0 HG11 VAL A 174 12.314 5.858 -9.885 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.464 7.262 -8.802 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.373 5.620 -8.123 1.00 0.98 H new ATOM 0 HG21 VAL A 174 10.193 4.638 -10.067 1.00 1.07 H new ATOM 0 HG22 VAL A 174 10.156 4.335 -8.314 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.777 5.131 -9.109 1.00 1.07 H new ATOM 1855 N ALA A 175 11.539 8.784 -6.873 1.00 0.53 N ATOM 1856 CA ALA A 175 11.958 10.167 -6.682 1.00 0.57 C ATOM 1857 C ALA A 175 12.105 10.904 -8.004 1.00 0.52 C ATOM 1858 O ALA A 175 12.630 10.365 -8.980 1.00 0.57 O ATOM 1859 CB ALA A 175 13.268 10.213 -5.913 1.00 0.71 C ATOM 0 H ALA A 175 12.206 8.096 -6.523 1.00 0.53 H new ATOM 0 HA ALA A 175 11.179 10.670 -6.109 1.00 0.57 H new ATOM 0 HB1 ALA A 175 13.573 11.250 -5.775 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.135 9.742 -4.939 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.037 9.680 -6.472 1.00 0.71 H new ATOM 1865 N CYS A 176 11.640 12.147 -8.012 1.00 0.62 N ATOM 1866 CA CYS A 176 11.724 13.010 -9.182 1.00 0.69 C ATOM 1867 C CYS A 176 13.166 13.480 -9.406 1.00 0.68 C ATOM 1868 O CYS A 176 13.478 14.111 -10.416 1.00 0.84 O ATOM 1869 CB CYS A 176 10.791 14.210 -8.990 1.00 0.85 C ATOM 1870 SG CYS A 176 10.604 15.264 -10.447 1.00 1.88 S ATOM 0 H CYS A 176 11.194 12.585 -7.206 1.00 0.62 H new ATOM 0 HA CYS A 176 11.415 12.449 -10.064 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.808 13.844 -8.695 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.167 14.816 -8.166 1.00 0.85 H new ATOM 0 HG CYS A 176 9.364 15.641 -10.554 1.00 1.88 H new ATOM 1876 N SER A 177 14.039 13.161 -8.459 1.00 0.63 N ATOM 1877 CA SER A 177 15.445 13.520 -8.554 1.00 0.71 C ATOM 1878 C SER A 177 16.322 12.283 -8.384 1.00 0.65 C ATOM 1879 O SER A 177 16.046 11.419 -7.546 1.00 0.66 O ATOM 1880 CB SER A 177 15.783 14.561 -7.484 1.00 0.88 C ATOM 1881 OG SER A 177 17.178 14.803 -7.414 1.00 1.63 O ATOM 0 H SER A 177 13.794 12.650 -7.611 1.00 0.63 H new ATOM 0 HA SER A 177 15.638 13.945 -9.539 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.262 15.493 -7.705 1.00 0.88 H new ATOM 0 HB3 SER A 177 15.424 14.217 -6.514 1.00 0.88 H new ATOM 0 HG SER A 177 17.447 14.895 -6.476 1.00 1.63 H new ATOM 1887 N CYS A 178 17.381 12.205 -9.181 1.00 0.71 N ATOM 1888 CA CYS A 178 18.294 11.072 -9.137 1.00 0.76 C ATOM 1889 C CYS A 178 19.391 11.308 -8.108 1.00 0.71 C ATOM 1890 O CYS A 178 20.044 10.370 -7.656 1.00 0.77 O ATOM 1891 CB CYS A 178 18.908 10.833 -10.517 1.00 1.00 C ATOM 1892 SG CYS A 178 17.694 10.576 -11.830 1.00 1.96 S ATOM 0 H CYS A 178 17.628 12.917 -9.868 1.00 0.71 H new ATOM 0 HA CYS A 178 17.730 10.186 -8.844 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.534 11.687 -10.777 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.562 9.962 -10.466 1.00 1.00 H new ATOM 0 HG CYS A 178 18.310 10.385 -12.959 1.00 1.96 H new ATOM 1898 N ASP A 179 19.584 12.562 -7.730 1.00 0.76 N ATOM 1899 CA ASP A 179 20.590 12.910 -6.732 1.00 0.88 C ATOM 1900 C ASP A 179 20.034 12.732 -5.332 1.00 0.82 C ATOM 1901 O ASP A 179 20.777 12.704 -4.352 1.00 0.99 O ATOM 1902 CB ASP A 179 21.063 14.352 -6.914 1.00 1.08 C ATOM 1903 CG ASP A 179 22.015 14.512 -8.076 1.00 1.81 C ATOM 1904 OD1 ASP A 179 21.540 14.685 -9.217 1.00 2.40 O ATOM 1905 OD2 ASP A 179 23.243 14.467 -7.858 1.00 2.42 O ATOM 0 H ASP A 179 19.060 13.356 -8.097 1.00 0.76 H new ATOM 0 HA ASP A 179 21.440 12.241 -6.869 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.198 14.997 -7.067 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.553 14.687 -6.000 1.00 1.08 H new ATOM 1910 N ASP A 180 18.721 12.612 -5.245 1.00 0.70 N ATOM 1911 CA ASP A 180 18.045 12.509 -3.961 1.00 0.75 C ATOM 1912 C ASP A 180 17.480 11.114 -3.748 1.00 0.60 C ATOM 1913 O ASP A 180 16.599 10.921 -2.918 1.00 0.64 O ATOM 1914 CB ASP A 180 16.937 13.559 -3.840 1.00 0.92 C ATOM 1915 CG ASP A 180 17.486 14.975 -3.870 1.00 1.41 C ATOM 1916 OD1 ASP A 180 17.372 15.635 -4.925 1.00 2.12 O ATOM 1917 OD2 ASP A 180 18.019 15.443 -2.841 1.00 1.55 O ATOM 0 H ASP A 180 18.098 12.583 -6.052 1.00 0.70 H new ATOM 0 HA ASP A 180 18.785 12.698 -3.183 1.00 0.75 H new ATOM 0 HB2 ASP A 180 16.225 13.429 -4.655 1.00 0.92 H new ATOM 0 HB3 ASP A 180 16.390 13.402 -2.910 1.00 0.92 H new ATOM 1922 N GLN A 181 17.971 10.149 -4.525 1.00 0.51 N ATOM 1923 CA GLN A 181 17.520 8.765 -4.405 1.00 0.46 C ATOM 1924 C GLN A 181 17.681 8.263 -2.972 1.00 0.46 C ATOM 1925 O GLN A 181 18.793 8.147 -2.459 1.00 0.56 O ATOM 1926 CB GLN A 181 18.316 7.858 -5.346 1.00 0.56 C ATOM 1927 CG GLN A 181 18.093 8.137 -6.825 1.00 0.62 C ATOM 1928 CD GLN A 181 16.732 7.685 -7.318 1.00 0.70 C ATOM 1929 OE1 GLN A 181 16.557 6.535 -7.720 1.00 1.35 O ATOM 1930 NE2 GLN A 181 15.769 8.589 -7.321 1.00 0.98 N ATOM 0 H GLN A 181 18.680 10.301 -5.243 1.00 0.51 H new ATOM 0 HA GLN A 181 16.465 8.736 -4.678 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.378 7.967 -5.124 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.052 6.821 -5.141 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.202 9.206 -7.007 1.00 0.62 H new ATOM 0 HG3 GLN A 181 18.868 7.634 -7.404 1.00 0.62 H new ATOM 0 HE21 GLN A 181 15.954 9.532 -6.979 1.00 0.98 H new ATOM 0 HE22 GLN A 181 14.841 8.344 -7.665 1.00 0.98 H new ATOM 1939 N ASN A 182 16.562 7.962 -2.339 1.00 0.40 N ATOM 1940 CA ASN A 182 16.554 7.472 -0.974 1.00 0.41 C ATOM 1941 C ASN A 182 15.444 6.444 -0.813 1.00 0.36 C ATOM 1942 O ASN A 182 14.857 6.289 0.258 1.00 0.42 O ATOM 1943 CB ASN A 182 16.368 8.636 0.008 1.00 0.49 C ATOM 1944 CG ASN A 182 15.015 9.305 -0.089 1.00 0.99 C ATOM 1945 OD1 ASN A 182 14.796 10.155 -0.939 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.129 8.967 0.824 1.00 0.93 N ATOM 0 H ASN A 182 15.635 8.050 -2.756 1.00 0.40 H new ATOM 0 HA ASN A 182 17.510 6.996 -0.753 1.00 0.41 H new ATOM 0 HB2 ASN A 182 16.509 8.268 1.024 1.00 0.49 H new ATOM 0 HB3 ASN A 182 17.144 9.379 -0.173 1.00 0.49 H new ATOM 0 HD21 ASN A 182 13.216 9.421 0.841 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.356 8.251 1.515 1.00 0.93 H new ATOM 1953 N LEU A 183 15.190 5.722 -1.890 1.00 0.34 N ATOM 1954 CA LEU A 183 14.070 4.802 -1.954 1.00 0.35 C ATOM 1955 C LEU A 183 14.562 3.368 -2.108 1.00 0.36 C ATOM 1956 O LEU A 183 15.329 3.064 -3.024 1.00 0.39 O ATOM 1957 CB LEU A 183 13.152 5.147 -3.140 1.00 0.39 C ATOM 1958 CG LEU A 183 12.967 6.634 -3.456 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.152 7.194 -4.229 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.694 6.840 -4.250 1.00 0.81 C ATOM 0 H LEU A 183 15.752 5.757 -2.741 1.00 0.34 H new ATOM 0 HA LEU A 183 13.510 4.895 -1.024 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.547 4.656 -4.030 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.170 4.715 -2.947 1.00 0.39 H new ATOM 0 HG LEU A 183 12.899 7.169 -2.509 1.00 0.46 H new ATOM 0 HD11 LEU A 183 13.985 8.251 -4.435 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.060 7.079 -3.637 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.261 6.654 -5.169 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.570 7.900 -4.470 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.753 6.280 -5.183 1.00 0.81 H new ATOM 0 HD23 LEU A 183 10.842 6.488 -3.669 1.00 0.81 H new ATOM 1972 N THR A 184 14.147 2.491 -1.208 1.00 0.37 N ATOM 1973 CA THR A 184 14.461 1.077 -1.338 1.00 0.41 C ATOM 1974 C THR A 184 13.332 0.203 -0.793 1.00 0.41 C ATOM 1975 O THR A 184 12.943 0.312 0.373 1.00 0.45 O ATOM 1976 CB THR A 184 15.784 0.727 -0.620 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.862 1.470 -1.204 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.088 -0.759 -0.712 1.00 0.49 C ATOM 0 H THR A 184 13.595 2.731 -0.384 1.00 0.37 H new ATOM 0 HA THR A 184 14.576 0.874 -2.403 1.00 0.41 H new ATOM 0 HB THR A 184 15.676 0.990 0.432 1.00 0.45 H new ATOM 0 HG1 THR A 184 17.699 1.247 -0.746 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.025 -0.971 -0.197 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.281 -1.325 -0.246 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.176 -1.048 -1.759 1.00 0.49 H new ATOM 1986 N MET A 185 12.798 -0.651 -1.654 1.00 0.49 N ATOM 1987 CA MET A 185 11.809 -1.633 -1.245 1.00 0.51 C ATOM 1988 C MET A 185 12.397 -3.027 -1.376 1.00 0.60 C ATOM 1989 O MET A 185 12.952 -3.380 -2.417 1.00 0.90 O ATOM 1990 CB MET A 185 10.540 -1.531 -2.095 1.00 0.77 C ATOM 1991 CG MET A 185 9.448 -2.503 -1.670 1.00 1.01 C ATOM 1992 SD MET A 185 8.126 -2.660 -2.888 1.00 1.35 S ATOM 1993 CE MET A 185 7.547 -0.971 -3.004 1.00 1.03 C ATOM 0 H MET A 185 13.036 -0.682 -2.645 1.00 0.49 H new ATOM 0 HA MET A 185 11.540 -1.436 -0.207 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.153 -0.514 -2.037 1.00 0.77 H new ATOM 0 HB3 MET A 185 10.795 -1.716 -3.139 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.891 -3.484 -1.495 1.00 1.01 H new ATOM 0 HG3 MET A 185 9.023 -2.171 -0.723 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.457 -0.959 -3.003 1.00 1.03 H new ATOM 0 HE2 MET A 185 7.917 -0.400 -2.152 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.914 -0.523 -3.928 1.00 1.03 H new ATOM 2003 N CYS A 186 12.284 -3.808 -0.323 1.00 0.55 N ATOM 2004 CA CYS A 186 12.784 -5.168 -0.330 1.00 0.81 C ATOM 2005 C CYS A 186 11.618 -6.137 -0.175 1.00 0.71 C ATOM 2006 O CYS A 186 10.513 -5.733 0.194 1.00 0.65 O ATOM 2007 CB CYS A 186 13.804 -5.354 0.800 1.00 1.10 C ATOM 2008 SG CYS A 186 14.692 -6.928 0.752 1.00 1.73 S ATOM 0 H CYS A 186 11.848 -3.523 0.554 1.00 0.55 H new ATOM 0 HA CYS A 186 13.284 -5.372 -1.277 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.528 -4.541 0.757 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.288 -5.271 1.756 1.00 1.10 H new ATOM 0 HG CYS A 186 15.529 -6.985 1.745 1.00 1.73 H new ATOM 2014 N GLN A 187 11.857 -7.403 -0.464 1.00 0.81 N ATOM 2015 CA GLN A 187 10.829 -8.419 -0.330 1.00 0.79 C ATOM 2016 C GLN A 187 11.384 -9.589 0.470 1.00 0.87 C ATOM 2017 O GLN A 187 12.189 -10.375 -0.026 1.00 1.01 O ATOM 2018 CB GLN A 187 10.345 -8.861 -1.719 1.00 0.95 C ATOM 2019 CG GLN A 187 9.041 -9.651 -1.713 1.00 1.08 C ATOM 2020 CD GLN A 187 9.233 -11.126 -1.423 1.00 1.47 C ATOM 2021 OE1 GLN A 187 10.266 -11.707 -1.749 1.00 1.93 O ATOM 2022 NE2 GLN A 187 8.243 -11.746 -0.813 1.00 1.60 N ATOM 0 H GLN A 187 12.756 -7.753 -0.794 1.00 0.81 H new ATOM 0 HA GLN A 187 9.969 -8.015 0.204 1.00 0.79 H new ATOM 0 HB2 GLN A 187 10.216 -7.977 -2.343 1.00 0.95 H new ATOM 0 HB3 GLN A 187 11.121 -9.469 -2.184 1.00 0.95 H new ATOM 0 HG2 GLN A 187 8.370 -9.226 -0.966 1.00 1.08 H new ATOM 0 HG3 GLN A 187 8.552 -9.539 -2.681 1.00 1.08 H new ATOM 0 HE21 GLN A 187 7.400 -11.232 -0.557 1.00 1.60 H new ATOM 0 HE22 GLN A 187 8.320 -12.740 -0.597 1.00 1.60 H new ATOM 2031 N ILE A 188 10.958 -9.685 1.718 1.00 0.82 N ATOM 2032 CA ILE A 188 11.474 -10.689 2.639 1.00 0.92 C ATOM 2033 C ILE A 188 10.341 -11.317 3.431 1.00 0.95 C ATOM 2034 O ILE A 188 9.361 -10.644 3.749 1.00 0.87 O ATOM 2035 CB ILE A 188 12.507 -10.093 3.622 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.965 -8.812 4.259 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.820 -9.816 2.913 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.847 -8.252 5.356 1.00 1.11 C ATOM 0 H ILE A 188 10.248 -9.074 2.122 1.00 0.82 H new ATOM 0 HA ILE A 188 11.970 -11.449 2.035 1.00 0.92 H new ATOM 0 HB ILE A 188 12.688 -10.822 4.412 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.842 -8.056 3.483 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.975 -9.012 4.669 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.535 -9.397 3.621 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.216 -10.746 2.505 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.653 -9.106 2.103 1.00 1.07 H new ATOM 0 HD11 ILE A 188 12.396 -7.345 5.758 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.950 -8.989 6.152 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.831 -8.018 4.948 1.00 1.11 H new ATOM 2050 N SER A 189 10.460 -12.612 3.706 1.00 1.12 N ATOM 2051 CA SER A 189 9.482 -13.335 4.513 1.00 1.23 C ATOM 2052 C SER A 189 8.116 -13.327 3.825 1.00 1.13 C ATOM 2053 O SER A 189 7.071 -13.279 4.478 1.00 1.15 O ATOM 2054 CB SER A 189 9.397 -12.717 5.918 1.00 1.31 C ATOM 2055 OG SER A 189 8.687 -13.554 6.816 1.00 1.86 O ATOM 0 H SER A 189 11.234 -13.189 3.377 1.00 1.12 H new ATOM 0 HA SER A 189 9.802 -14.372 4.615 1.00 1.23 H new ATOM 0 HB2 SER A 189 10.403 -12.543 6.301 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.905 -11.746 5.860 1.00 1.31 H new ATOM 0 HG SER A 189 7.814 -13.780 6.432 1.00 1.86 H new ATOM 2061 N GLU A 190 8.147 -13.367 2.493 1.00 1.11 N ATOM 2062 CA GLU A 190 6.937 -13.366 1.674 1.00 1.13 C ATOM 2063 C GLU A 190 6.074 -12.137 1.933 1.00 0.96 C ATOM 2064 O GLU A 190 4.856 -12.182 1.797 1.00 1.05 O ATOM 2065 CB GLU A 190 6.132 -14.649 1.892 1.00 1.34 C ATOM 2066 CG GLU A 190 6.815 -15.881 1.326 1.00 1.74 C ATOM 2067 CD GLU A 190 7.078 -15.759 -0.161 1.00 2.26 C ATOM 2068 OE1 GLU A 190 6.192 -16.128 -0.962 1.00 2.66 O ATOM 2069 OE2 GLU A 190 8.179 -15.304 -0.537 1.00 2.83 O ATOM 0 H GLU A 190 9.011 -13.401 1.953 1.00 1.11 H new ATOM 0 HA GLU A 190 7.253 -13.327 0.631 1.00 1.13 H new ATOM 0 HB2 GLU A 190 5.966 -14.790 2.960 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.151 -14.539 1.429 1.00 1.34 H new ATOM 0 HG2 GLU A 190 7.758 -16.043 1.848 1.00 1.74 H new ATOM 0 HG3 GLU A 190 6.193 -16.757 1.512 1.00 1.74 H new ATOM 2076 N GLN A 191 6.708 -11.036 2.297 1.00 0.81 N ATOM 2077 CA GLN A 191 5.996 -9.785 2.486 1.00 0.71 C ATOM 2078 C GLN A 191 6.820 -8.626 1.951 1.00 0.61 C ATOM 2079 O GLN A 191 8.006 -8.777 1.646 1.00 0.65 O ATOM 2080 CB GLN A 191 5.653 -9.556 3.961 1.00 0.78 C ATOM 2081 CG GLN A 191 6.858 -9.411 4.872 1.00 0.87 C ATOM 2082 CD GLN A 191 6.471 -9.029 6.284 1.00 1.15 C ATOM 2083 OE1 GLN A 191 6.230 -9.890 7.132 1.00 1.75 O ATOM 2084 NE2 GLN A 191 6.402 -7.733 6.548 1.00 1.46 N ATOM 0 H GLN A 191 7.712 -10.983 2.467 1.00 0.81 H new ATOM 0 HA GLN A 191 5.060 -9.844 1.930 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.041 -8.658 4.043 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.045 -10.389 4.313 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.411 -10.350 4.891 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.529 -8.655 4.465 1.00 0.87 H new ATOM 0 HE21 GLN A 191 6.609 -7.052 5.818 1.00 1.46 H new ATOM 0 HE22 GLN A 191 6.142 -7.416 7.482 1.00 1.46 H new ATOM 2093 N ILE A 192 6.179 -7.477 1.826 1.00 0.56 N ATOM 2094 CA ILE A 192 6.831 -6.283 1.323 1.00 0.50 C ATOM 2095 C ILE A 192 7.595 -5.619 2.461 1.00 0.47 C ATOM 2096 O ILE A 192 7.239 -5.797 3.625 1.00 0.61 O ATOM 2097 CB ILE A 192 5.802 -5.291 0.732 1.00 0.65 C ATOM 2098 CG1 ILE A 192 4.818 -6.019 -0.194 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.506 -4.174 -0.027 1.00 0.64 C ATOM 2100 CD1 ILE A 192 5.473 -6.715 -1.368 1.00 1.01 C ATOM 0 H ILE A 192 5.197 -7.347 2.069 1.00 0.56 H new ATOM 0 HA ILE A 192 7.518 -6.568 0.526 1.00 0.50 H new ATOM 0 HB ILE A 192 5.243 -4.852 1.559 1.00 0.65 H new ATOM 0 HG12 ILE A 192 4.265 -6.756 0.389 1.00 0.89 H new ATOM 0 HG13 ILE A 192 4.091 -5.300 -0.571 1.00 0.89 H new ATOM 0 HG21 ILE A 192 5.764 -3.487 -0.435 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.167 -3.634 0.651 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.092 -4.600 -0.841 1.00 0.64 H new ATOM 0 HD11 ILE A 192 4.710 -7.205 -1.973 1.00 1.01 H new ATOM 0 HD12 ILE A 192 6.003 -5.982 -1.976 1.00 1.01 H new ATOM 0 HD13 ILE A 192 6.179 -7.460 -1.001 1.00 1.01 H new ATOM 2112 N TYR A 193 8.658 -4.898 2.138 1.00 0.48 N ATOM 2113 CA TYR A 193 9.448 -4.227 3.156 1.00 0.68 C ATOM 2114 C TYR A 193 9.954 -2.881 2.641 1.00 0.50 C ATOM 2115 O TYR A 193 10.668 -2.818 1.640 1.00 0.47 O ATOM 2116 CB TYR A 193 10.621 -5.125 3.560 1.00 1.05 C ATOM 2117 CG TYR A 193 11.236 -4.781 4.894 1.00 1.54 C ATOM 2118 CD1 TYR A 193 12.490 -4.192 4.978 1.00 2.35 C ATOM 2119 CD2 TYR A 193 10.560 -5.061 6.075 1.00 1.86 C ATOM 2120 CE1 TYR A 193 13.055 -3.891 6.203 1.00 3.17 C ATOM 2121 CE2 TYR A 193 11.114 -4.761 7.302 1.00 2.49 C ATOM 2122 CZ TYR A 193 12.362 -4.177 7.361 1.00 3.09 C ATOM 2123 OH TYR A 193 12.920 -3.879 8.584 1.00 3.94 O ATOM 0 H TYR A 193 8.991 -4.764 1.183 1.00 0.48 H new ATOM 0 HA TYR A 193 8.824 -4.039 4.029 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.279 -6.160 3.587 1.00 1.05 H new ATOM 0 HB3 TYR A 193 11.391 -5.064 2.791 1.00 1.05 H new ATOM 0 HD1 TYR A 193 13.033 -3.965 4.072 1.00 2.35 H new ATOM 0 HD2 TYR A 193 9.584 -5.521 6.032 1.00 1.86 H new ATOM 0 HE1 TYR A 193 14.033 -3.435 6.253 1.00 3.17 H new ATOM 0 HE2 TYR A 193 10.574 -4.982 8.211 1.00 2.49 H new ATOM 0 HH TYR A 193 12.303 -4.142 9.298 1.00 3.94 H new ATOM 2133 N TYR A 194 9.574 -1.805 3.320 1.00 0.49 N ATOM 2134 CA TYR A 194 10.025 -0.464 2.951 1.00 0.41 C ATOM 2135 C TYR A 194 11.151 -0.031 3.871 1.00 0.40 C ATOM 2136 O TYR A 194 10.935 0.185 5.058 1.00 0.49 O ATOM 2137 CB TYR A 194 8.863 0.538 3.042 1.00 0.56 C ATOM 2138 CG TYR A 194 7.852 0.406 1.921 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.087 -0.745 1.786 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.661 1.432 1.001 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.163 -0.872 0.770 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.737 1.310 -0.018 1.00 0.85 C ATOM 2143 CZ TYR A 194 5.992 0.155 -0.131 1.00 0.80 C ATOM 2144 OH TYR A 194 5.068 0.030 -1.142 1.00 0.92 O ATOM 0 H TYR A 194 8.954 -1.833 4.130 1.00 0.49 H new ATOM 0 HA TYR A 194 10.386 -0.487 1.923 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.353 0.403 3.996 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.267 1.550 3.037 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.218 -1.555 2.489 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.244 2.337 1.085 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.576 -1.774 0.681 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.598 2.116 -0.724 1.00 0.85 H new ATOM 0 HH TYR A 194 5.070 0.843 -1.690 1.00 0.92 H new ATOM 2154 N LYS A 195 12.343 0.118 3.320 1.00 0.37 N ATOM 2155 CA LYS A 195 13.514 0.429 4.124 1.00 0.38 C ATOM 2156 C LYS A 195 14.106 1.764 3.700 1.00 0.39 C ATOM 2157 O LYS A 195 14.340 1.999 2.513 1.00 0.43 O ATOM 2158 CB LYS A 195 14.548 -0.702 3.997 1.00 0.40 C ATOM 2159 CG LYS A 195 15.817 -0.498 4.820 1.00 0.43 C ATOM 2160 CD LYS A 195 16.915 0.194 4.021 1.00 0.46 C ATOM 2161 CE LYS A 195 17.503 -0.721 2.959 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.122 -1.936 3.553 1.00 1.11 N ATOM 0 H LYS A 195 12.526 0.029 2.321 1.00 0.37 H new ATOM 0 HA LYS A 195 13.220 0.511 5.171 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.081 -1.639 4.300 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.824 -0.808 2.948 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.584 0.096 5.704 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.179 -1.464 5.172 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.511 1.088 3.547 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.705 0.521 4.697 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.720 -1.017 2.261 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.252 -0.176 2.385 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.777 -2.363 2.867 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.644 -1.674 4.413 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.378 -2.622 3.795 1.00 1.11 H new ATOM 2176 N VAL A 196 14.341 2.637 4.669 1.00 0.41 N ATOM 2177 CA VAL A 196 14.888 3.949 4.384 1.00 0.45 C ATOM 2178 C VAL A 196 16.402 3.948 4.553 1.00 0.43 C ATOM 2179 O VAL A 196 16.969 3.199 5.352 1.00 0.41 O ATOM 2180 CB VAL A 196 14.272 5.056 5.252 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.281 6.368 4.486 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.859 4.697 5.681 1.00 0.68 C ATOM 0 H VAL A 196 14.161 2.458 5.657 1.00 0.41 H new ATOM 0 HA VAL A 196 14.632 4.168 3.347 1.00 0.45 H new ATOM 0 HB VAL A 196 14.872 5.163 6.156 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.844 7.153 5.103 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.307 6.635 4.233 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.699 6.259 3.571 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.450 5.500 6.294 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.234 4.560 4.798 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.878 3.773 6.259 1.00 0.68 H new ATOM 2192 N ILE A 197 17.029 4.814 3.790 1.00 0.47 N ATOM 2193 CA ILE A 197 18.463 4.755 3.521 1.00 0.45 C ATOM 2194 C ILE A 197 19.245 5.706 4.402 1.00 0.45 C ATOM 2195 O ILE A 197 20.292 5.359 4.942 1.00 0.49 O ATOM 2196 CB ILE A 197 18.731 5.156 2.061 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.472 4.938 1.231 1.00 0.60 C ATOM 2198 CG2 ILE A 197 19.904 4.381 1.486 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.061 3.493 1.104 1.00 0.62 C ATOM 0 H ILE A 197 16.559 5.593 3.329 1.00 0.47 H new ATOM 0 HA ILE A 197 18.783 3.733 3.723 1.00 0.45 H new ATOM 0 HB ILE A 197 18.995 6.213 2.031 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.652 5.500 1.679 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.632 5.348 0.234 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.070 4.686 0.453 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.799 4.587 2.073 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.686 3.314 1.519 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.157 3.424 0.499 1.00 0.62 H new ATOM 0 HD12 ILE A 197 17.861 2.928 0.627 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.867 3.081 2.095 1.00 0.62 H new ATOM 2211 N LYS A 198 18.738 6.919 4.506 1.00 0.47 N ATOM 2212 CA LYS A 198 19.433 7.989 5.203 1.00 0.49 C ATOM 2213 C LYS A 198 18.431 9.018 5.701 1.00 0.48 C ATOM 2214 O LYS A 198 17.227 8.830 5.530 1.00 0.49 O ATOM 2215 CB LYS A 198 20.479 8.630 4.274 1.00 0.59 C ATOM 2216 CG LYS A 198 19.929 9.069 2.930 1.00 0.75 C ATOM 2217 CD LYS A 198 19.440 10.501 2.979 1.00 0.94 C ATOM 2218 CE LYS A 198 18.635 10.853 1.749 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.204 12.275 1.756 1.00 1.38 N ATOM 0 H LYS A 198 17.837 7.192 4.113 1.00 0.47 H new ATOM 0 HA LYS A 198 19.956 7.580 6.067 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.914 9.494 4.776 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.287 7.918 4.108 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.703 8.972 2.168 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.110 8.412 2.637 1.00 0.75 H new ATOM 0 HD2 LYS A 198 18.829 10.648 3.870 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.292 11.175 3.063 1.00 0.94 H new ATOM 0 HE2 LYS A 198 19.231 10.659 0.857 1.00 0.98 H new ATOM 0 HE3 LYS A 198 17.758 10.208 1.693 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 17.358 12.384 1.160 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.982 12.566 2.730 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.970 12.872 1.383 1.00 1.38 H new ATOM 2233 N ASP A 199 18.922 10.085 6.319 1.00 0.52 N ATOM 2234 CA ASP A 199 18.057 11.137 6.849 1.00 0.56 C ATOM 2235 C ASP A 199 17.207 11.764 5.755 1.00 0.55 C ATOM 2236 O ASP A 199 17.719 12.255 4.746 1.00 0.67 O ATOM 2237 CB ASP A 199 18.882 12.215 7.546 1.00 0.67 C ATOM 2238 CG ASP A 199 18.041 13.388 8.011 1.00 1.56 C ATOM 2239 OD1 ASP A 199 17.928 14.375 7.256 1.00 2.23 O ATOM 2240 OD2 ASP A 199 17.481 13.323 9.124 1.00 2.13 O ATOM 0 H ASP A 199 19.918 10.247 6.467 1.00 0.52 H new ATOM 0 HA ASP A 199 17.390 10.673 7.576 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.393 11.777 8.404 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.653 12.574 6.864 1.00 0.67 H new ATOM 2245 N ILE A 200 15.903 11.729 5.950 1.00 0.52 N ATOM 2246 CA ILE A 200 14.979 12.314 4.990 1.00 0.55 C ATOM 2247 C ILE A 200 14.393 13.597 5.539 1.00 0.54 C ATOM 2248 O ILE A 200 14.009 13.665 6.709 1.00 0.57 O ATOM 2249 CB ILE A 200 13.817 11.368 4.614 1.00 0.63 C ATOM 2250 CG1 ILE A 200 14.333 9.997 4.177 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.975 11.983 3.503 1.00 0.80 C ATOM 2252 CD1 ILE A 200 15.504 10.060 3.223 1.00 0.88 C ATOM 0 H ILE A 200 15.457 11.303 6.762 1.00 0.52 H new ATOM 0 HA ILE A 200 15.562 12.507 4.089 1.00 0.55 H new ATOM 0 HB ILE A 200 13.199 11.231 5.502 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.627 9.431 5.061 1.00 0.69 H new ATOM 0 HG13 ILE A 200 13.520 9.448 3.703 1.00 0.69 H new ATOM 0 HG21 ILE A 200 12.160 11.306 3.247 1.00 0.80 H new ATOM 0 HG22 ILE A 200 12.564 12.934 3.842 1.00 0.80 H new ATOM 0 HG23 ILE A 200 13.598 12.149 2.624 1.00 0.80 H new ATOM 0 HD11 ILE A 200 15.813 9.049 2.959 1.00 0.88 H new ATOM 0 HD12 ILE A 200 15.210 10.597 2.321 1.00 0.88 H new ATOM 0 HD13 ILE A 200 16.334 10.580 3.700 1.00 0.88 H new ATOM 2264 N GLU A 201 14.325 14.602 4.692 1.00 0.55 N ATOM 2265 CA GLU A 201 13.776 15.890 5.071 1.00 0.57 C ATOM 2266 C GLU A 201 12.252 15.859 4.998 1.00 0.49 C ATOM 2267 O GLU A 201 11.685 15.531 3.956 1.00 0.55 O ATOM 2268 CB GLU A 201 14.328 16.979 4.155 1.00 0.68 C ATOM 2269 CG GLU A 201 15.830 17.167 4.277 1.00 0.81 C ATOM 2270 CD GLU A 201 16.384 18.083 3.212 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.125 19.302 3.272 1.00 1.51 O ATOM 2272 OE2 GLU A 201 17.086 17.586 2.303 1.00 2.06 O ATOM 0 H GLU A 201 14.647 14.552 3.725 1.00 0.55 H new ATOM 0 HA GLU A 201 14.068 16.110 6.098 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.083 16.733 3.122 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.832 17.922 4.384 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.064 17.575 5.260 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.322 16.196 4.209 1.00 0.81 H new ATOM 2279 N PRO A 202 11.574 16.161 6.118 1.00 0.43 N ATOM 2280 CA PRO A 202 10.113 16.244 6.155 1.00 0.43 C ATOM 2281 C PRO A 202 9.571 17.148 5.055 1.00 0.45 C ATOM 2282 O PRO A 202 9.893 18.336 4.998 1.00 0.51 O ATOM 2283 CB PRO A 202 9.825 16.846 7.531 1.00 0.49 C ATOM 2284 CG PRO A 202 10.996 16.462 8.365 1.00 0.49 C ATOM 2285 CD PRO A 202 12.176 16.431 7.435 1.00 0.45 C ATOM 0 HA PRO A 202 9.640 15.275 5.996 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.717 17.929 7.474 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.897 16.455 7.948 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.153 17.179 9.171 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.841 15.489 8.831 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.717 17.377 7.442 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.888 15.655 7.717 1.00 0.45 H new ATOM 2293 N GLY A 203 8.749 16.582 4.188 1.00 0.44 N ATOM 2294 CA GLY A 203 8.241 17.333 3.062 1.00 0.52 C ATOM 2295 C GLY A 203 8.570 16.679 1.738 1.00 0.54 C ATOM 2296 O GLY A 203 8.092 17.113 0.691 1.00 0.70 O ATOM 0 H GLY A 203 8.424 15.617 4.244 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.160 17.436 3.155 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.659 18.339 3.081 1.00 0.52 H new ATOM 2300 N GLU A 204 9.399 15.646 1.775 1.00 0.48 N ATOM 2301 CA GLU A 204 9.655 14.842 0.589 1.00 0.51 C ATOM 2302 C GLU A 204 9.549 13.359 0.927 1.00 0.39 C ATOM 2303 O GLU A 204 10.217 12.860 1.834 1.00 0.40 O ATOM 2304 CB GLU A 204 11.025 15.175 -0.019 1.00 0.65 C ATOM 2305 CG GLU A 204 12.188 15.058 0.954 1.00 0.71 C ATOM 2306 CD GLU A 204 13.510 15.442 0.326 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.391 14.566 0.205 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.674 16.619 -0.061 1.00 1.27 O ATOM 0 H GLU A 204 9.904 15.346 2.609 1.00 0.48 H new ATOM 0 HA GLU A 204 8.899 15.080 -0.159 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.205 14.510 -0.864 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.997 16.191 -0.413 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.001 15.696 1.817 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.248 14.034 1.322 1.00 0.71 H new ATOM 2315 N GLU A 205 8.678 12.669 0.213 1.00 0.47 N ATOM 2316 CA GLU A 205 8.445 11.251 0.433 1.00 0.51 C ATOM 2317 C GLU A 205 8.997 10.412 -0.712 1.00 0.43 C ATOM 2318 O GLU A 205 8.339 10.232 -1.733 1.00 0.49 O ATOM 2319 CB GLU A 205 6.948 10.968 0.606 1.00 0.80 C ATOM 2320 CG GLU A 205 6.022 12.063 0.073 1.00 1.49 C ATOM 2321 CD GLU A 205 6.163 12.305 -1.418 1.00 2.41 C ATOM 2322 OE1 GLU A 205 6.959 13.180 -1.811 1.00 2.84 O ATOM 2323 OE2 GLU A 205 5.464 11.620 -2.202 1.00 2.92 O ATOM 0 H GLU A 205 8.113 13.073 -0.534 1.00 0.47 H new ATOM 0 HA GLU A 205 8.970 10.973 1.347 1.00 0.51 H new ATOM 0 HB2 GLU A 205 6.709 10.032 0.101 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.741 10.821 1.666 1.00 0.80 H new ATOM 0 HG2 GLU A 205 4.989 11.792 0.293 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.228 12.992 0.605 1.00 1.49 H new ATOM 2330 N LEU A 206 10.199 9.892 -0.554 1.00 0.37 N ATOM 2331 CA LEU A 206 10.755 9.033 -1.583 1.00 0.36 C ATOM 2332 C LEU A 206 10.948 7.619 -1.039 1.00 0.36 C ATOM 2333 O LEU A 206 11.930 7.342 -0.358 1.00 0.39 O ATOM 2334 CB LEU A 206 12.105 9.568 -2.095 1.00 0.41 C ATOM 2335 CG LEU A 206 12.177 11.048 -2.513 1.00 0.44 C ATOM 2336 CD1 LEU A 206 10.970 11.458 -3.337 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.351 11.950 -1.300 1.00 0.84 C ATOM 0 H LEU A 206 10.798 10.044 0.257 1.00 0.37 H new ATOM 0 HA LEU A 206 10.051 9.018 -2.415 1.00 0.36 H new ATOM 0 HB2 LEU A 206 12.848 9.403 -1.315 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.402 8.963 -2.951 1.00 0.41 H new ATOM 0 HG LEU A 206 13.055 11.167 -3.148 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.058 12.509 -3.613 1.00 0.90 H new ATOM 0 HD12 LEU A 206 10.922 10.849 -4.240 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.063 11.311 -2.751 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.399 12.990 -1.624 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.505 11.819 -0.625 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.273 11.689 -0.781 1.00 0.84 H new ATOM 2349 N LEU A 207 10.010 6.732 -1.362 1.00 0.37 N ATOM 2350 CA LEU A 207 10.082 5.316 -0.987 1.00 0.40 C ATOM 2351 C LEU A 207 9.454 4.474 -2.095 1.00 0.43 C ATOM 2352 O LEU A 207 8.252 4.551 -2.321 1.00 0.53 O ATOM 2353 CB LEU A 207 9.335 5.037 0.334 1.00 0.43 C ATOM 2354 CG LEU A 207 10.052 5.400 1.651 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.521 4.998 1.618 1.00 0.49 C ATOM 2356 CD2 LEU A 207 9.894 6.878 1.977 1.00 0.44 C ATOM 0 H LEU A 207 9.174 6.973 -1.894 1.00 0.37 H new ATOM 0 HA LEU A 207 11.132 5.057 -0.848 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.390 5.579 0.306 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.093 3.975 0.365 1.00 0.43 H new ATOM 0 HG LEU A 207 9.575 4.831 2.448 1.00 0.45 H new ATOM 0 HD11 LEU A 207 11.994 5.269 2.562 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.600 3.921 1.469 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.022 5.516 0.800 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.410 7.102 2.911 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.323 7.476 1.173 1.00 0.44 H new ATOM 0 HD23 LEU A 207 8.836 7.116 2.082 1.00 0.44 H new ATOM 2368 N VAL A 208 10.247 3.675 -2.788 1.00 0.43 N ATOM 2369 CA VAL A 208 9.730 2.905 -3.907 1.00 0.50 C ATOM 2370 C VAL A 208 10.580 1.667 -4.155 1.00 0.57 C ATOM 2371 O VAL A 208 11.724 1.584 -3.702 1.00 0.59 O ATOM 2372 CB VAL A 208 9.685 3.755 -5.195 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.068 3.857 -5.819 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.673 3.191 -6.182 1.00 0.88 C ATOM 0 H VAL A 208 11.241 3.543 -2.599 1.00 0.43 H new ATOM 0 HA VAL A 208 8.717 2.599 -3.647 1.00 0.50 H new ATOM 0 HB VAL A 208 9.362 4.762 -4.930 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.015 4.460 -6.725 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.753 4.325 -5.112 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.429 2.859 -6.068 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.660 3.807 -7.081 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.951 2.171 -6.445 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.682 3.191 -5.727 1.00 0.88 H new ATOM 2384 N HIS A 209 10.001 0.702 -4.847 1.00 0.69 N ATOM 2385 CA HIS A 209 10.760 -0.400 -5.400 1.00 0.82 C ATOM 2386 C HIS A 209 11.419 0.065 -6.691 1.00 0.94 C ATOM 2387 O HIS A 209 10.756 0.654 -7.543 1.00 1.09 O ATOM 2388 CB HIS A 209 9.837 -1.591 -5.681 1.00 1.02 C ATOM 2389 CG HIS A 209 10.535 -2.790 -6.251 1.00 1.20 C ATOM 2390 ND1 HIS A 209 10.510 -3.061 -7.600 1.00 1.42 N ATOM 2391 CD2 HIS A 209 11.244 -3.754 -5.619 1.00 1.41 C ATOM 2392 CE1 HIS A 209 11.200 -4.175 -7.755 1.00 1.54 C ATOM 2393 NE2 HIS A 209 11.662 -4.631 -6.585 1.00 1.55 N ATOM 0 H HIS A 209 9.000 0.662 -5.039 1.00 0.69 H new ATOM 0 HA HIS A 209 11.521 -0.718 -4.687 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.343 -1.880 -4.753 1.00 1.02 H new ATOM 0 HB3 HIS A 209 9.057 -1.276 -6.374 1.00 1.02 H new ATOM 0 HD2 HIS A 209 11.442 -3.819 -4.559 1.00 1.41 H new ATOM 0 HE1 HIS A 209 11.370 -4.658 -8.706 1.00 1.54 H new ATOM 0 HE2 HIS A 209 12.220 -5.472 -6.440 1.00 1.55 H new ATOM 2401 N VAL A 210 12.721 -0.146 -6.812 1.00 1.14 N ATOM 2402 CA VAL A 210 13.416 0.148 -8.056 1.00 1.45 C ATOM 2403 C VAL A 210 12.926 -0.800 -9.146 1.00 1.58 C ATOM 2404 O VAL A 210 13.418 -1.924 -9.287 1.00 1.82 O ATOM 2405 CB VAL A 210 14.945 0.019 -7.899 1.00 1.92 C ATOM 2406 CG1 VAL A 210 15.654 0.433 -9.181 1.00 2.56 C ATOM 2407 CG2 VAL A 210 15.437 0.849 -6.721 1.00 2.44 C ATOM 0 H VAL A 210 13.314 -0.517 -6.070 1.00 1.14 H new ATOM 0 HA VAL A 210 13.197 1.180 -8.331 1.00 1.45 H new ATOM 0 HB VAL A 210 15.180 -1.027 -7.701 1.00 1.92 H new ATOM 0 HG11 VAL A 210 16.731 0.335 -9.049 1.00 2.56 H new ATOM 0 HG12 VAL A 210 15.329 -0.208 -10.000 1.00 2.56 H new ATOM 0 HG13 VAL A 210 15.410 1.470 -9.413 1.00 2.56 H new ATOM 0 HG21 VAL A 210 16.518 0.744 -6.628 1.00 2.44 H new ATOM 0 HG22 VAL A 210 15.187 1.897 -6.885 1.00 2.44 H new ATOM 0 HG23 VAL A 210 14.959 0.501 -5.806 1.00 2.44 H new