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 Single : A 89 SER OG : rot -110:sc= 0.643 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= -0.147 (180deg=-0.619) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -152:sc= -3.39! (180deg=-4.67!) USER MOD Single : A 113 CYS SG : rot -26:sc= 0.0148 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 172:sc=-0.00108 (180deg=-0.0815) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot -31:sc= -0.0106 USER MOD Single : A 177 SER OG : rot -133:sc= 1.22 USER MOD Single : A 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN :FLIP amide:sc= -0.0698 F(o=-2.9!,f=-0.07) USER MOD Single : A 182 ASN : amide:sc= -5.75! C(o=-5.8!,f=-8.3!) USER MOD Single : A 184 THR OG1 : rot 180:sc= -0.0032 USER MOD Single : A 185 MET CE :methyl 150:sc= -0.209 (180deg=-1.13) USER MOD Single : A 186 CYS SG : rot 180:sc= -0.333 USER MOD Single : A 187 GLN : amide:sc= -1.81! C(o=-1.8!,f=-2.8!) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 191 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 193 TYR OH : rot 140:sc= -0.522 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -177:sc= -0.657 (180deg=-0.668) USER MOD Single : A 198 LYS NZ :NH3+ 167:sc= 0.272 (180deg=0.207) USER MOD Single : A 209 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -8.581 5.922 5.372 1.00 1.90 N ATOM 389 CA ILE A 78 -7.455 5.002 5.316 1.00 1.74 C ATOM 390 C ILE A 78 -6.600 5.138 6.574 1.00 1.48 C ATOM 391 O ILE A 78 -6.175 6.239 6.924 1.00 1.42 O ATOM 392 CB ILE A 78 -6.585 5.266 4.065 1.00 1.86 C ATOM 393 CG1 ILE A 78 -7.427 5.108 2.793 1.00 2.18 C ATOM 394 CG2 ILE A 78 -5.384 4.329 4.034 1.00 1.84 C ATOM 395 CD1 ILE A 78 -6.672 5.415 1.518 1.00 2.45 C ATOM 0 HA ILE A 78 -7.851 3.988 5.255 1.00 1.74 H new ATOM 0 HB ILE A 78 -6.213 6.289 4.112 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.805 4.087 2.743 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -8.294 5.766 2.858 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.786 4.533 3.145 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.776 4.487 4.925 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -5.729 3.295 4.010 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -7.334 5.281 0.662 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -6.317 6.445 1.544 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.821 4.740 1.428 1.00 2.45 H new ATOM 407 N PRO A 79 -6.358 4.025 7.284 1.00 1.44 N ATOM 408 CA PRO A 79 -5.537 4.036 8.491 1.00 1.27 C ATOM 409 C PRO A 79 -4.044 4.087 8.174 1.00 1.11 C ATOM 410 O PRO A 79 -3.489 3.162 7.574 1.00 1.23 O ATOM 411 CB PRO A 79 -5.899 2.714 9.168 1.00 1.50 C ATOM 412 CG PRO A 79 -6.284 1.805 8.049 1.00 1.75 C ATOM 413 CD PRO A 79 -6.871 2.678 6.969 1.00 1.70 C ATOM 0 HA PRO A 79 -5.724 4.914 9.110 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -5.055 2.314 9.730 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -6.720 2.843 9.873 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -5.417 1.259 7.677 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.009 1.063 8.384 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -6.557 2.353 5.977 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.961 2.652 6.983 1.00 1.70 H new ATOM 421 N ILE A 80 -3.398 5.173 8.575 1.00 0.93 N ATOM 422 CA ILE A 80 -1.970 5.335 8.369 1.00 0.82 C ATOM 423 C ILE A 80 -1.313 5.786 9.668 1.00 0.72 C ATOM 424 O ILE A 80 -1.934 6.498 10.464 1.00 0.74 O ATOM 425 CB ILE A 80 -1.635 6.359 7.245 1.00 0.86 C ATOM 426 CG1 ILE A 80 -2.026 7.792 7.643 1.00 0.89 C ATOM 427 CG2 ILE A 80 -2.330 5.975 5.945 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.503 8.095 7.515 1.00 0.99 C ATOM 0 H ILE A 80 -3.846 5.958 9.048 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.582 4.366 8.056 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.555 6.333 7.097 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.720 7.966 8.675 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.468 8.493 7.022 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -2.083 6.703 5.172 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.996 4.986 5.632 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -3.409 5.961 6.100 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.690 9.126 7.816 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.814 7.957 6.480 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -4.070 7.421 8.157 1.00 0.99 H new ATOM 440 N PRO A 81 -0.065 5.357 9.916 1.00 0.68 N ATOM 441 CA PRO A 81 0.699 5.775 11.096 1.00 0.67 C ATOM 442 C PRO A 81 0.823 7.294 11.178 1.00 0.64 C ATOM 443 O PRO A 81 1.073 7.961 10.173 1.00 0.61 O ATOM 444 CB PRO A 81 2.074 5.135 10.886 1.00 0.69 C ATOM 445 CG PRO A 81 1.831 3.997 9.955 1.00 0.71 C ATOM 446 CD PRO A 81 0.697 4.423 9.069 1.00 0.73 C ATOM 0 HA PRO A 81 0.219 5.469 12.026 1.00 0.67 H new ATOM 0 HB2 PRO A 81 2.781 5.848 10.462 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.497 4.790 11.829 1.00 0.69 H new ATOM 0 HG2 PRO A 81 2.723 3.775 9.368 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.578 3.090 10.505 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.056 4.906 8.160 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.088 3.574 8.759 1.00 0.73 H new ATOM 454 N ALA A 82 0.660 7.828 12.384 1.00 0.75 N ATOM 455 CA ALA A 82 0.602 9.273 12.602 1.00 0.80 C ATOM 456 C ALA A 82 1.919 9.971 12.271 1.00 0.71 C ATOM 457 O ALA A 82 1.972 11.200 12.189 1.00 0.78 O ATOM 458 CB ALA A 82 0.202 9.562 14.039 1.00 1.04 C ATOM 0 H ALA A 82 0.564 7.276 13.236 1.00 0.75 H new ATOM 0 HA ALA A 82 -0.149 9.673 11.921 1.00 0.80 H new ATOM 0 HB1 ALA A 82 0.161 10.640 14.195 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -0.778 9.128 14.238 1.00 1.04 H new ATOM 0 HB3 ALA A 82 0.936 9.125 14.716 1.00 1.04 H new ATOM 464 N ASP A 83 2.978 9.194 12.085 1.00 0.67 N ATOM 465 CA ASP A 83 4.283 9.749 11.745 1.00 0.70 C ATOM 466 C ASP A 83 4.419 9.978 10.238 1.00 0.55 C ATOM 467 O ASP A 83 5.381 10.594 9.778 1.00 0.60 O ATOM 468 CB ASP A 83 5.418 8.864 12.280 1.00 0.88 C ATOM 469 CG ASP A 83 5.193 7.377 12.071 1.00 1.05 C ATOM 470 OD1 ASP A 83 4.306 6.806 12.747 1.00 1.39 O ATOM 471 OD2 ASP A 83 5.930 6.765 11.277 1.00 1.66 O ATOM 0 H ASP A 83 2.960 8.177 12.164 1.00 0.67 H new ATOM 0 HA ASP A 83 4.363 10.722 12.231 1.00 0.70 H new ATOM 0 HB2 ASP A 83 6.350 9.152 11.793 1.00 0.88 H new ATOM 0 HB3 ASP A 83 5.543 9.056 13.346 1.00 0.88 H new ATOM 476 N PHE A 84 3.437 9.511 9.473 1.00 0.45 N ATOM 477 CA PHE A 84 3.353 9.838 8.055 1.00 0.41 C ATOM 478 C PHE A 84 2.035 10.549 7.809 1.00 0.40 C ATOM 479 O PHE A 84 1.131 10.473 8.640 1.00 0.56 O ATOM 480 CB PHE A 84 3.439 8.592 7.164 1.00 0.42 C ATOM 481 CG PHE A 84 4.501 7.620 7.575 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.163 6.443 8.221 1.00 0.66 C ATOM 483 CD2 PHE A 84 5.835 7.882 7.317 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.138 5.541 8.598 1.00 0.87 C ATOM 485 CE2 PHE A 84 6.814 6.986 7.693 1.00 0.98 C ATOM 486 CZ PHE A 84 6.465 5.813 8.335 1.00 1.00 C ATOM 0 H PHE A 84 2.689 8.906 9.812 1.00 0.45 H new ATOM 0 HA PHE A 84 4.199 10.475 7.797 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.474 8.085 7.172 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.626 8.905 6.137 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.126 6.228 8.432 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.113 8.798 6.816 1.00 0.79 H new ATOM 0 HE1 PHE A 84 4.863 4.624 9.098 1.00 0.87 H new ATOM 0 HE2 PHE A 84 7.852 7.201 7.486 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.230 5.110 8.630 1.00 1.00 H new ATOM 496 N GLU A 85 1.909 11.251 6.697 1.00 0.39 N ATOM 497 CA GLU A 85 0.662 11.929 6.413 1.00 0.44 C ATOM 498 C GLU A 85 0.214 11.690 4.983 1.00 0.39 C ATOM 499 O GLU A 85 0.919 12.032 4.034 1.00 0.40 O ATOM 500 CB GLU A 85 0.778 13.430 6.683 1.00 0.61 C ATOM 501 CG GLU A 85 -0.566 14.136 6.738 1.00 1.15 C ATOM 502 CD GLU A 85 -1.454 13.604 7.846 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.630 14.311 8.860 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.974 12.478 7.712 1.00 2.27 O ATOM 0 H GLU A 85 2.637 11.364 5.992 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.091 11.512 7.081 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.300 13.583 7.628 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.389 13.886 5.904 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.406 15.204 6.885 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.074 14.019 5.781 1.00 1.15 H new ATOM 511 N LEU A 86 -0.963 11.104 4.839 1.00 0.41 N ATOM 512 CA LEU A 86 -1.534 10.866 3.528 1.00 0.43 C ATOM 513 C LEU A 86 -2.253 12.117 3.069 1.00 0.44 C ATOM 514 O LEU A 86 -3.112 12.646 3.774 1.00 0.48 O ATOM 515 CB LEU A 86 -2.489 9.672 3.567 1.00 0.52 C ATOM 516 CG LEU A 86 -2.906 9.106 2.203 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.405 7.686 2.362 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.986 9.961 1.552 1.00 0.70 C ATOM 0 H LEU A 86 -1.541 10.785 5.616 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.739 10.630 2.821 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -2.020 8.874 4.142 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.388 9.968 4.107 1.00 0.52 H new ATOM 0 HG LEU A 86 -2.029 9.115 1.555 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.699 7.292 1.389 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.612 7.066 2.780 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -4.265 7.675 3.032 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -4.258 9.532 0.588 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.864 9.991 2.197 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.609 10.973 1.405 1.00 0.70 H new ATOM 530 N ARG A 87 -1.904 12.578 1.888 1.00 0.47 N ATOM 531 CA ARG A 87 -2.408 13.842 1.388 1.00 0.55 C ATOM 532 C ARG A 87 -2.533 13.810 -0.122 1.00 0.61 C ATOM 533 O ARG A 87 -1.779 13.114 -0.800 1.00 0.66 O ATOM 534 CB ARG A 87 -1.468 14.980 1.791 1.00 0.62 C ATOM 535 CG ARG A 87 -1.552 15.369 3.255 1.00 0.69 C ATOM 536 CD ARG A 87 -0.589 16.497 3.584 1.00 1.04 C ATOM 537 NE ARG A 87 -0.788 17.661 2.716 1.00 1.63 N ATOM 538 CZ ARG A 87 0.176 18.522 2.388 1.00 2.32 C ATOM 539 NH1 ARG A 87 1.404 18.367 2.869 1.00 2.62 N ATOM 540 NH2 ARG A 87 -0.094 19.546 1.587 1.00 3.21 N ATOM 0 H ARG A 87 -1.270 12.095 1.252 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.393 14.009 1.823 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.443 14.687 1.563 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.693 15.855 1.181 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.570 15.676 3.494 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.326 14.503 3.877 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -0.721 16.794 4.624 1.00 1.04 H new ATOM 0 HD3 ARG A 87 0.436 16.140 3.482 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.722 17.823 2.339 1.00 1.63 H new ATOM 0 HH11 ARG A 87 1.613 17.587 3.492 1.00 2.62 H new ATOM 0 HH12 ARG A 87 2.138 19.028 2.615 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -1.038 19.674 1.223 1.00 3.21 H new ATOM 0 HH22 ARG A 87 0.643 20.205 1.336 1.00 3.21 H new ATOM 554 N GLU A 88 -3.496 14.550 -0.643 1.00 0.73 N ATOM 555 CA GLU A 88 -3.613 14.721 -2.076 1.00 0.84 C ATOM 556 C GLU A 88 -2.653 15.814 -2.515 1.00 0.87 C ATOM 557 O GLU A 88 -2.826 16.984 -2.169 1.00 0.98 O ATOM 558 CB GLU A 88 -5.045 15.086 -2.454 1.00 1.06 C ATOM 559 CG GLU A 88 -6.069 14.054 -2.020 1.00 1.61 C ATOM 560 CD GLU A 88 -7.489 14.509 -2.282 1.00 1.96 C ATOM 561 OE1 GLU A 88 -7.984 15.386 -1.546 1.00 2.46 O ATOM 562 OE2 GLU A 88 -8.121 13.979 -3.222 1.00 2.21 O ATOM 0 H GLU A 88 -4.204 15.039 -0.096 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.362 13.787 -2.579 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.297 16.047 -2.005 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.105 15.214 -3.535 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.886 13.119 -2.549 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -5.946 13.848 -0.957 1.00 1.61 H new ATOM 569 N SER A 89 -1.634 15.427 -3.256 1.00 0.85 N ATOM 570 CA SER A 89 -0.605 16.354 -3.687 1.00 0.95 C ATOM 571 C SER A 89 -0.050 15.918 -5.031 1.00 0.90 C ATOM 572 O SER A 89 0.989 15.265 -5.098 1.00 1.11 O ATOM 573 CB SER A 89 0.519 16.415 -2.649 1.00 1.03 C ATOM 574 OG SER A 89 0.012 16.734 -1.360 1.00 1.58 O ATOM 0 H SER A 89 -1.496 14.468 -3.575 1.00 0.85 H new ATOM 0 HA SER A 89 -1.042 17.347 -3.788 1.00 0.95 H new ATOM 0 HB2 SER A 89 1.036 15.456 -2.612 1.00 1.03 H new ATOM 0 HB3 SER A 89 1.254 17.162 -2.949 1.00 1.03 H new ATOM 0 HG SER A 89 0.297 17.638 -1.111 1.00 1.58 H new ATOM 580 N SER A 90 -0.759 16.262 -6.093 1.00 0.86 N ATOM 581 CA SER A 90 -0.362 15.875 -7.434 1.00 0.88 C ATOM 582 C SER A 90 0.955 16.543 -7.826 1.00 0.87 C ATOM 583 O SER A 90 0.998 17.740 -8.118 1.00 1.02 O ATOM 584 CB SER A 90 -1.465 16.256 -8.422 1.00 1.13 C ATOM 585 OG SER A 90 -2.707 15.686 -8.035 1.00 1.86 O ATOM 0 H SER A 90 -1.617 16.812 -6.050 1.00 0.86 H new ATOM 0 HA SER A 90 -0.211 14.796 -7.458 1.00 0.88 H new ATOM 0 HB2 SER A 90 -1.557 17.341 -8.471 1.00 1.13 H new ATOM 0 HB3 SER A 90 -1.198 15.914 -9.422 1.00 1.13 H new ATOM 0 HG SER A 90 -3.400 15.943 -8.679 1.00 1.86 H new ATOM 591 N ILE A 91 2.027 15.769 -7.813 1.00 0.86 N ATOM 592 CA ILE A 91 3.327 16.266 -8.226 1.00 1.01 C ATOM 593 C ILE A 91 3.686 15.698 -9.602 1.00 1.09 C ATOM 594 O ILE A 91 3.782 14.481 -9.777 1.00 1.08 O ATOM 595 CB ILE A 91 4.417 15.955 -7.155 1.00 1.10 C ATOM 596 CG1 ILE A 91 5.820 16.409 -7.607 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.409 14.480 -6.782 1.00 1.07 C ATOM 598 CD1 ILE A 91 6.601 15.379 -8.406 1.00 1.45 C ATOM 0 H ILE A 91 2.022 14.792 -7.520 1.00 0.86 H new ATOM 0 HA ILE A 91 3.282 17.352 -8.312 1.00 1.01 H new ATOM 0 HB ILE A 91 4.168 16.532 -6.264 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.717 17.312 -8.209 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.400 16.679 -6.725 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.178 14.290 -6.034 1.00 1.07 H new ATOM 0 HG22 ILE A 91 3.434 14.213 -6.376 1.00 1.07 H new ATOM 0 HG23 ILE A 91 4.609 13.879 -7.669 1.00 1.07 H new ATOM 0 HD11 ILE A 91 7.573 15.790 -8.678 1.00 1.45 H new ATOM 0 HD12 ILE A 91 6.742 14.482 -7.803 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.049 15.125 -9.311 1.00 1.45 H new ATOM 610 N PRO A 92 3.845 16.583 -10.605 1.00 1.24 N ATOM 611 CA PRO A 92 4.119 16.185 -11.991 1.00 1.37 C ATOM 612 C PRO A 92 5.338 15.280 -12.112 1.00 1.47 C ATOM 613 O PRO A 92 6.441 15.638 -11.695 1.00 1.61 O ATOM 614 CB PRO A 92 4.373 17.512 -12.708 1.00 1.58 C ATOM 615 CG PRO A 92 3.675 18.533 -11.884 1.00 1.59 C ATOM 616 CD PRO A 92 3.765 18.050 -10.465 1.00 1.37 C ATOM 0 HA PRO A 92 3.294 15.609 -12.410 1.00 1.37 H new ATOM 0 HB2 PRO A 92 5.440 17.724 -12.780 1.00 1.58 H new ATOM 0 HB3 PRO A 92 3.983 17.492 -13.726 1.00 1.58 H new ATOM 0 HG2 PRO A 92 4.144 19.511 -11.994 1.00 1.59 H new ATOM 0 HG3 PRO A 92 2.636 18.641 -12.194 1.00 1.59 H new ATOM 0 HD2 PRO A 92 4.642 18.453 -9.959 1.00 1.37 H new ATOM 0 HD3 PRO A 92 2.894 18.351 -9.883 1.00 1.37 H new ATOM 624 N GLY A 93 5.125 14.102 -12.678 1.00 1.47 N ATOM 625 CA GLY A 93 6.200 13.152 -12.849 1.00 1.62 C ATOM 626 C GLY A 93 6.072 11.978 -11.906 1.00 1.58 C ATOM 627 O GLY A 93 6.693 10.936 -12.113 1.00 1.74 O ATOM 0 H GLY A 93 4.219 13.787 -13.024 1.00 1.47 H new ATOM 0 HA2 GLY A 93 6.206 12.792 -13.878 1.00 1.62 H new ATOM 0 HA3 GLY A 93 7.155 13.650 -12.680 1.00 1.62 H new ATOM 631 N ALA A 94 5.252 12.139 -10.879 1.00 1.40 N ATOM 632 CA ALA A 94 5.070 11.096 -9.883 1.00 1.40 C ATOM 633 C ALA A 94 3.589 10.840 -9.613 1.00 1.27 C ATOM 634 O ALA A 94 3.090 9.731 -9.817 1.00 1.38 O ATOM 635 CB ALA A 94 5.791 11.473 -8.601 1.00 1.41 C ATOM 0 H ALA A 94 4.702 12.982 -10.714 1.00 1.40 H new ATOM 0 HA ALA A 94 5.498 10.172 -10.272 1.00 1.40 H new ATOM 0 HB1 ALA A 94 5.650 10.687 -7.860 1.00 1.41 H new ATOM 0 HB2 ALA A 94 6.855 11.594 -8.804 1.00 1.41 H new ATOM 0 HB3 ALA A 94 5.386 12.410 -8.218 1.00 1.41 H new ATOM 641 N GLY A 95 2.889 11.869 -9.165 1.00 1.09 N ATOM 642 CA GLY A 95 1.478 11.740 -8.878 1.00 1.02 C ATOM 643 C GLY A 95 1.153 12.087 -7.443 1.00 0.91 C ATOM 644 O GLY A 95 1.527 13.154 -6.964 1.00 1.02 O ATOM 0 H GLY A 95 3.276 12.797 -8.994 1.00 1.09 H new ATOM 0 HA2 GLY A 95 0.912 12.391 -9.544 1.00 1.02 H new ATOM 0 HA3 GLY A 95 1.159 10.718 -9.084 1.00 1.02 H new ATOM 648 N LEU A 96 0.454 11.189 -6.763 1.00 0.79 N ATOM 649 CA LEU A 96 0.136 11.367 -5.349 1.00 0.70 C ATOM 650 C LEU A 96 1.233 10.772 -4.471 1.00 0.65 C ATOM 651 O LEU A 96 2.021 9.951 -4.938 1.00 0.99 O ATOM 652 CB LEU A 96 -1.232 10.750 -4.997 1.00 0.77 C ATOM 653 CG LEU A 96 -1.586 9.423 -5.680 1.00 1.35 C ATOM 654 CD1 LEU A 96 -0.616 8.323 -5.288 1.00 2.05 C ATOM 655 CD2 LEU A 96 -3.013 9.022 -5.334 1.00 2.31 C ATOM 0 H LEU A 96 0.094 10.325 -7.168 1.00 0.79 H new ATOM 0 HA LEU A 96 0.078 12.438 -5.156 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -1.269 10.598 -3.918 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -2.006 11.477 -5.243 1.00 0.77 H new ATOM 0 HG LEU A 96 -1.508 9.565 -6.758 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -0.895 7.396 -5.789 1.00 2.05 H new ATOM 0 HD12 LEU A 96 0.394 8.606 -5.584 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -0.650 8.176 -4.208 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -3.255 8.079 -5.824 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -3.106 8.905 -4.254 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -3.701 9.795 -5.676 1.00 2.31 H new ATOM 667 N GLY A 97 1.294 11.210 -3.220 1.00 0.59 N ATOM 668 CA GLY A 97 2.259 10.670 -2.281 1.00 0.57 C ATOM 669 C GLY A 97 1.874 10.977 -0.847 1.00 0.52 C ATOM 670 O GLY A 97 0.920 11.725 -0.608 1.00 0.55 O ATOM 0 H GLY A 97 0.688 11.935 -2.836 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.334 9.591 -2.415 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.244 11.086 -2.491 1.00 0.57 H new ATOM 674 N VAL A 98 2.594 10.407 0.109 1.00 0.48 N ATOM 675 CA VAL A 98 2.359 10.710 1.512 1.00 0.46 C ATOM 676 C VAL A 98 3.586 11.394 2.105 1.00 0.47 C ATOM 677 O VAL A 98 4.716 10.942 1.942 1.00 0.67 O ATOM 678 CB VAL A 98 1.976 9.464 2.361 1.00 0.47 C ATOM 679 CG1 VAL A 98 0.854 8.684 1.696 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.168 8.558 2.632 1.00 0.53 C ATOM 0 H VAL A 98 3.342 9.735 -0.061 1.00 0.48 H new ATOM 0 HA VAL A 98 1.499 11.379 1.548 1.00 0.46 H new ATOM 0 HB VAL A 98 1.627 9.833 3.326 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.602 7.817 2.307 1.00 0.49 H new ATOM 0 HG12 VAL A 98 -0.023 9.323 1.594 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.177 8.352 0.709 1.00 0.49 H new ATOM 0 HG21 VAL A 98 2.847 7.703 3.228 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.580 8.207 1.686 1.00 0.53 H new ATOM 0 HG23 VAL A 98 3.931 9.114 3.176 1.00 0.53 H new ATOM 690 N TRP A 99 3.365 12.498 2.785 1.00 0.38 N ATOM 691 CA TRP A 99 4.465 13.296 3.281 1.00 0.39 C ATOM 692 C TRP A 99 4.735 12.980 4.743 1.00 0.35 C ATOM 693 O TRP A 99 3.930 13.300 5.617 1.00 0.38 O ATOM 694 CB TRP A 99 4.158 14.786 3.095 1.00 0.44 C ATOM 695 CG TRP A 99 3.694 15.126 1.708 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.503 15.695 1.365 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.395 14.901 0.477 1.00 0.62 C ATOM 698 NE1 TRP A 99 2.424 15.851 0.004 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.571 15.367 -0.565 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.640 14.354 0.153 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.953 15.304 -1.903 1.00 0.82 C ATOM 702 CZ3 TRP A 99 6.017 14.290 -1.176 1.00 1.13 C ATOM 703 CH2 TRP A 99 5.176 14.764 -2.189 1.00 1.06 C ATOM 0 H TRP A 99 2.438 12.862 3.006 1.00 0.38 H new ATOM 0 HA TRP A 99 5.362 13.052 2.711 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.392 15.085 3.811 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.052 15.366 3.324 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.732 15.982 2.065 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.638 16.261 -0.501 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.297 13.987 0.928 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 3.306 15.669 -2.687 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.976 13.867 -1.436 1.00 1.13 H new ATOM 0 HH2 TRP A 99 5.500 14.702 -3.218 1.00 1.06 H new ATOM 714 N ALA A 100 5.855 12.313 4.999 1.00 0.39 N ATOM 715 CA ALA A 100 6.265 12.018 6.363 1.00 0.42 C ATOM 716 C ALA A 100 6.562 13.318 7.105 1.00 0.43 C ATOM 717 O ALA A 100 7.466 14.060 6.726 1.00 0.49 O ATOM 718 CB ALA A 100 7.483 11.091 6.371 1.00 0.54 C ATOM 0 H ALA A 100 6.492 11.968 4.281 1.00 0.39 H new ATOM 0 HA ALA A 100 5.452 11.503 6.875 1.00 0.42 H new ATOM 0 HB1 ALA A 100 7.774 10.882 7.400 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.233 10.157 5.868 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.310 11.573 5.850 1.00 0.54 H new ATOM 724 N LYS A 101 5.779 13.603 8.148 1.00 0.47 N ATOM 725 CA LYS A 101 5.934 14.848 8.904 1.00 0.57 C ATOM 726 C LYS A 101 7.104 14.740 9.872 1.00 0.56 C ATOM 727 O LYS A 101 7.436 15.687 10.588 1.00 0.63 O ATOM 728 CB LYS A 101 4.654 15.205 9.675 1.00 0.69 C ATOM 729 CG LYS A 101 4.250 14.177 10.722 1.00 1.17 C ATOM 730 CD LYS A 101 3.250 13.175 10.172 1.00 0.84 C ATOM 731 CE LYS A 101 1.871 13.783 10.014 1.00 0.88 C ATOM 732 NZ LYS A 101 1.332 14.292 11.300 1.00 1.68 N ATOM 0 H LYS A 101 5.035 12.993 8.487 1.00 0.47 H new ATOM 0 HA LYS A 101 6.131 15.644 8.186 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.794 16.169 10.164 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.836 15.324 8.964 1.00 0.69 H new ATOM 0 HG2 LYS A 101 5.136 13.650 11.075 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.818 14.686 11.584 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.598 12.807 9.207 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.193 12.315 10.839 1.00 0.84 H new ATOM 0 HE2 LYS A 101 1.916 14.599 9.293 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.190 13.035 9.607 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.295 14.350 11.243 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.601 13.646 12.069 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 1.722 15.237 11.490 1.00 1.68 H new ATOM 746 N ARG A 102 7.707 13.568 9.897 1.00 0.54 N ATOM 747 CA ARG A 102 8.893 13.330 10.687 1.00 0.58 C ATOM 748 C ARG A 102 9.966 12.740 9.793 1.00 0.54 C ATOM 749 O ARG A 102 9.659 12.142 8.761 1.00 0.54 O ATOM 750 CB ARG A 102 8.591 12.362 11.831 1.00 0.72 C ATOM 751 CG ARG A 102 9.750 12.195 12.800 1.00 0.83 C ATOM 752 CD ARG A 102 9.599 10.946 13.641 1.00 1.16 C ATOM 753 NE ARG A 102 9.529 9.744 12.812 1.00 1.80 N ATOM 754 CZ ARG A 102 8.798 8.674 13.111 1.00 2.52 C ATOM 755 NH1 ARG A 102 8.130 8.622 14.258 1.00 2.75 N ATOM 756 NH2 ARG A 102 8.742 7.652 12.269 1.00 3.50 N ATOM 0 H ARG A 102 7.387 12.756 9.370 1.00 0.54 H new ATOM 0 HA ARG A 102 9.235 14.273 11.114 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.718 12.718 12.378 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.331 11.389 11.415 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.686 12.148 12.244 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.809 13.067 13.451 1.00 0.83 H new ATOM 0 HD2 ARG A 102 10.441 10.866 14.329 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.697 11.023 14.249 1.00 1.16 H new ATOM 0 HE ARG A 102 10.075 9.725 11.951 1.00 1.80 H new ATOM 0 HH11 ARG A 102 8.177 9.404 14.911 1.00 2.75 H new ATOM 0 HH12 ARG A 102 7.570 7.800 14.485 1.00 2.75 H new ATOM 0 HH21 ARG A 102 9.260 7.686 11.391 1.00 3.50 H new ATOM 0 HH22 ARG A 102 8.181 6.832 12.499 1.00 3.50 H new ATOM 770 N LYS A 103 11.216 12.910 10.177 1.00 0.59 N ATOM 771 CA LYS A 103 12.313 12.328 9.436 1.00 0.63 C ATOM 772 C LYS A 103 12.503 10.878 9.850 1.00 0.68 C ATOM 773 O LYS A 103 12.081 10.472 10.936 1.00 0.82 O ATOM 774 CB LYS A 103 13.597 13.142 9.653 1.00 0.73 C ATOM 775 CG LYS A 103 13.738 13.734 11.047 1.00 0.98 C ATOM 776 CD LYS A 103 13.766 12.658 12.111 1.00 1.17 C ATOM 777 CE LYS A 103 15.160 12.088 12.301 1.00 2.05 C ATOM 778 NZ LYS A 103 15.231 11.164 13.462 1.00 2.40 N ATOM 0 H LYS A 103 11.495 13.447 10.998 1.00 0.59 H new ATOM 0 HA LYS A 103 12.080 12.353 8.371 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.456 12.502 9.455 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.627 13.951 8.923 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.653 14.324 11.101 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.909 14.415 11.239 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.411 13.071 13.055 1.00 1.17 H new ATOM 0 HD3 LYS A 103 13.080 11.857 11.836 1.00 1.17 H new ATOM 0 HE2 LYS A 103 15.461 11.558 11.397 1.00 2.05 H new ATOM 0 HE3 LYS A 103 15.869 12.904 12.443 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 16.200 10.798 13.555 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 14.969 11.675 14.329 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 14.574 10.371 13.315 1.00 2.40 H new ATOM 792 N MET A 104 13.101 10.097 8.979 1.00 0.73 N ATOM 793 CA MET A 104 13.385 8.720 9.270 1.00 0.83 C ATOM 794 C MET A 104 14.853 8.417 9.025 1.00 0.87 C ATOM 795 O MET A 104 15.506 9.084 8.226 1.00 0.93 O ATOM 796 CB MET A 104 12.469 7.821 8.452 1.00 0.85 C ATOM 797 CG MET A 104 11.900 8.446 7.197 1.00 0.97 C ATOM 798 SD MET A 104 13.141 8.890 5.983 1.00 1.22 S ATOM 799 CE MET A 104 12.088 9.674 4.778 1.00 0.92 C ATOM 0 H MET A 104 13.401 10.402 8.053 1.00 0.73 H new ATOM 0 HA MET A 104 13.190 8.523 10.324 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.022 6.924 8.173 1.00 0.85 H new ATOM 0 HB3 MET A 104 11.642 7.501 9.085 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.194 7.750 6.744 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.337 9.338 7.470 1.00 0.97 H new ATOM 0 HE1 MET A 104 12.531 9.573 3.787 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.108 9.198 4.787 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.980 10.731 5.022 1.00 0.92 H new ATOM 809 N GLU A 105 15.368 7.436 9.747 1.00 0.90 N ATOM 810 CA GLU A 105 16.796 7.165 9.767 1.00 0.93 C ATOM 811 C GLU A 105 17.152 5.920 8.961 1.00 0.89 C ATOM 812 O GLU A 105 16.280 5.192 8.487 1.00 1.13 O ATOM 813 CB GLU A 105 17.273 7.012 11.212 1.00 1.08 C ATOM 814 CG GLU A 105 16.491 5.976 12.007 1.00 1.64 C ATOM 815 CD GLU A 105 16.976 5.844 13.434 1.00 1.94 C ATOM 816 OE1 GLU A 105 16.417 6.515 14.326 1.00 2.25 O ATOM 817 OE2 GLU A 105 17.921 5.066 13.672 1.00 2.31 O ATOM 0 H GLU A 105 14.814 6.810 10.331 1.00 0.90 H new ATOM 0 HA GLU A 105 17.302 8.010 9.301 1.00 0.93 H new ATOM 0 HB2 GLU A 105 18.327 6.736 11.210 1.00 1.08 H new ATOM 0 HB3 GLU A 105 17.197 7.976 11.715 1.00 1.08 H new ATOM 0 HG2 GLU A 105 15.436 6.248 12.010 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.569 5.009 11.511 1.00 1.64 H new ATOM 824 N ALA A 106 18.449 5.686 8.826 1.00 0.78 N ATOM 825 CA ALA A 106 18.970 4.577 8.042 1.00 0.78 C ATOM 826 C ALA A 106 18.536 3.218 8.585 1.00 0.76 C ATOM 827 O ALA A 106 18.704 2.923 9.771 1.00 0.78 O ATOM 828 CB ALA A 106 20.486 4.651 8.006 1.00 0.84 C ATOM 0 H ALA A 106 19.171 6.262 9.258 1.00 0.78 H new ATOM 0 HA ALA A 106 18.559 4.668 7.037 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.877 3.820 7.419 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.794 5.593 7.552 1.00 0.84 H new ATOM 0 HB3 ALA A 106 20.877 4.593 9.022 1.00 0.84 H new ATOM 834 N GLY A 107 17.966 2.401 7.713 1.00 0.83 N ATOM 835 CA GLY A 107 17.696 1.019 8.049 1.00 0.91 C ATOM 836 C GLY A 107 16.304 0.791 8.597 1.00 0.87 C ATOM 837 O GLY A 107 15.956 -0.335 8.950 1.00 1.04 O ATOM 0 H GLY A 107 17.684 2.673 6.771 1.00 0.83 H new ATOM 0 HA2 GLY A 107 17.833 0.404 7.160 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.427 0.683 8.785 1.00 0.91 H new ATOM 841 N GLU A 108 15.507 1.841 8.691 1.00 0.71 N ATOM 842 CA GLU A 108 14.154 1.692 9.202 1.00 0.74 C ATOM 843 C GLU A 108 13.182 1.326 8.084 1.00 0.61 C ATOM 844 O GLU A 108 13.520 1.403 6.901 1.00 0.61 O ATOM 845 CB GLU A 108 13.689 2.949 9.921 1.00 0.87 C ATOM 846 CG GLU A 108 13.368 4.113 9.009 1.00 0.85 C ATOM 847 CD GLU A 108 12.187 4.890 9.537 1.00 1.78 C ATOM 848 OE1 GLU A 108 11.094 4.792 8.949 1.00 2.62 O ATOM 849 OE2 GLU A 108 12.339 5.570 10.573 1.00 2.13 O ATOM 0 H GLU A 108 15.766 2.791 8.425 1.00 0.71 H new ATOM 0 HA GLU A 108 14.168 0.877 9.925 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.803 2.709 10.508 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.463 3.257 10.624 1.00 0.87 H new ATOM 0 HG2 GLU A 108 14.235 4.769 8.928 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.150 3.747 8.006 1.00 0.85 H new ATOM 856 N ARG A 109 11.975 0.934 8.470 1.00 0.63 N ATOM 857 CA ARG A 109 10.995 0.431 7.524 1.00 0.56 C ATOM 858 C ARG A 109 9.659 1.159 7.640 1.00 0.46 C ATOM 859 O ARG A 109 9.124 1.323 8.737 1.00 0.55 O ATOM 860 CB ARG A 109 10.800 -1.066 7.768 1.00 0.73 C ATOM 861 CG ARG A 109 9.754 -1.728 6.882 1.00 0.80 C ATOM 862 CD ARG A 109 8.422 -1.877 7.599 1.00 1.22 C ATOM 863 NE ARG A 109 8.500 -2.766 8.757 1.00 2.02 N ATOM 864 CZ ARG A 109 8.333 -2.370 10.022 1.00 2.71 C ATOM 865 NH1 ARG A 109 8.181 -1.082 10.318 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.341 -3.265 10.998 1.00 3.62 N ATOM 0 H ARG A 109 11.653 0.956 9.437 1.00 0.63 H new ATOM 0 HA ARG A 109 11.368 0.608 6.515 1.00 0.56 H new ATOM 0 HB2 ARG A 109 11.754 -1.571 7.619 1.00 0.73 H new ATOM 0 HB3 ARG A 109 10.520 -1.216 8.811 1.00 0.73 H new ATOM 0 HG2 ARG A 109 9.616 -1.136 5.977 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.111 -2.709 6.569 1.00 0.80 H new ATOM 0 HD2 ARG A 109 8.077 -0.895 7.923 1.00 1.22 H new ATOM 0 HD3 ARG A 109 7.679 -2.262 6.900 1.00 1.22 H new ATOM 0 HE ARG A 109 8.695 -3.753 8.588 1.00 2.02 H new ATOM 0 HH11 ARG A 109 8.191 -0.383 9.575 1.00 2.91 H new ATOM 0 HH12 ARG A 109 8.054 -0.793 11.288 1.00 2.91 H new ATOM 0 HH21 ARG A 109 8.474 -4.253 10.783 1.00 3.62 H new ATOM 0 HH22 ARG A 109 8.214 -2.966 11.965 1.00 3.62 H new ATOM 880 N LEU A 110 9.104 1.565 6.499 1.00 0.38 N ATOM 881 CA LEU A 110 7.764 2.139 6.471 1.00 0.39 C ATOM 882 C LEU A 110 6.749 1.009 6.350 1.00 0.49 C ATOM 883 O LEU A 110 6.995 0.026 5.647 1.00 0.53 O ATOM 884 CB LEU A 110 7.547 3.099 5.285 1.00 0.35 C ATOM 885 CG LEU A 110 8.596 4.188 5.041 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.989 5.298 4.187 1.00 0.39 C ATOM 887 CD2 LEU A 110 9.128 4.758 6.349 1.00 0.41 C ATOM 0 H LEU A 110 9.560 1.507 5.588 1.00 0.38 H new ATOM 0 HA LEU A 110 7.640 2.708 7.392 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.472 2.498 4.379 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.583 3.589 5.424 1.00 0.35 H new ATOM 0 HG LEU A 110 9.438 3.739 4.514 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.736 6.073 4.013 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.665 4.886 3.231 1.00 0.39 H new ATOM 0 HD13 LEU A 110 7.133 5.729 4.706 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.870 5.528 6.136 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.306 5.194 6.917 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.589 3.961 6.932 1.00 0.41 H new ATOM 899 N GLY A 111 5.625 1.138 7.029 1.00 0.61 N ATOM 900 CA GLY A 111 4.585 0.137 6.921 1.00 0.77 C ATOM 901 C GLY A 111 4.300 -0.551 8.239 1.00 0.88 C ATOM 902 O GLY A 111 4.085 0.124 9.246 1.00 1.02 O ATOM 0 H GLY A 111 5.411 1.916 7.653 1.00 0.61 H new ATOM 0 HA2 GLY A 111 3.671 0.606 6.555 1.00 0.77 H new ATOM 0 HA3 GLY A 111 4.879 -0.609 6.182 1.00 0.77 H new ATOM 906 N PRO A 112 4.309 -1.898 8.284 1.00 1.23 N ATOM 907 CA PRO A 112 4.631 -2.757 7.127 1.00 1.24 C ATOM 908 C PRO A 112 3.568 -2.698 6.034 1.00 1.05 C ATOM 909 O PRO A 112 2.379 -2.570 6.314 1.00 1.19 O ATOM 910 CB PRO A 112 4.682 -4.160 7.736 1.00 1.78 C ATOM 911 CG PRO A 112 3.796 -4.080 8.925 1.00 2.10 C ATOM 912 CD PRO A 112 3.989 -2.697 9.480 1.00 1.83 C ATOM 0 HA PRO A 112 5.555 -2.446 6.639 1.00 1.24 H new ATOM 0 HB2 PRO A 112 4.332 -4.913 7.030 1.00 1.78 H new ATOM 0 HB3 PRO A 112 5.699 -4.435 8.016 1.00 1.78 H new ATOM 0 HG2 PRO A 112 2.755 -4.250 8.650 1.00 2.10 H new ATOM 0 HG3 PRO A 112 4.060 -4.839 9.662 1.00 2.10 H new ATOM 0 HD2 PRO A 112 3.090 -2.334 9.979 1.00 1.83 H new ATOM 0 HD3 PRO A 112 4.795 -2.666 10.213 1.00 1.83 H new ATOM 920 N CYS A 113 4.018 -2.800 4.790 1.00 1.00 N ATOM 921 CA CYS A 113 3.139 -2.684 3.633 1.00 1.00 C ATOM 922 C CYS A 113 2.275 -3.931 3.477 1.00 1.17 C ATOM 923 O CYS A 113 1.186 -3.879 2.905 1.00 1.67 O ATOM 924 CB CYS A 113 3.971 -2.464 2.368 1.00 1.05 C ATOM 925 SG CYS A 113 2.997 -2.147 0.879 1.00 2.00 S ATOM 0 H CYS A 113 4.997 -2.965 4.555 1.00 1.00 H new ATOM 0 HA CYS A 113 2.481 -1.829 3.787 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.645 -1.623 2.533 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.594 -3.343 2.200 1.00 1.05 H new ATOM 0 HG CYS A 113 1.817 -2.677 1.011 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.806 -0.185 5.951 1.00 1.30 N ATOM 1693 CA GLY A 166 0.456 -0.557 5.341 1.00 1.24 C ATOM 1694 C GLY A 166 0.453 -0.352 3.840 1.00 1.03 C ATOM 1695 O GLY A 166 1.450 0.077 3.259 1.00 1.05 O ATOM 0 HA2 GLY A 166 1.259 0.033 5.784 1.00 1.24 H new ATOM 0 HA3 GLY A 166 0.669 -1.603 5.562 1.00 1.24 H new ATOM 1699 N SER A 167 -0.680 -0.636 3.218 1.00 0.98 N ATOM 1700 CA SER A 167 -0.818 -0.545 1.773 1.00 0.99 C ATOM 1701 C SER A 167 -0.774 0.905 1.286 1.00 0.78 C ATOM 1702 O SER A 167 -0.608 1.152 0.093 1.00 0.86 O ATOM 1703 CB SER A 167 -2.119 -1.211 1.339 1.00 1.17 C ATOM 1704 OG SER A 167 -2.215 -2.523 1.871 1.00 1.82 O ATOM 0 H SER A 167 -1.528 -0.935 3.699 1.00 0.98 H new ATOM 0 HA SER A 167 0.027 -1.064 1.321 1.00 0.99 H new ATOM 0 HB2 SER A 167 -2.968 -0.615 1.674 1.00 1.17 H new ATOM 0 HB3 SER A 167 -2.167 -1.250 0.251 1.00 1.17 H new ATOM 0 HG SER A 167 -3.057 -2.932 1.582 1.00 1.82 H new ATOM 1710 N TRP A 168 -0.922 1.859 2.208 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.824 3.286 1.876 1.00 0.51 C ATOM 1712 C TRP A 168 0.516 3.612 1.215 1.00 0.42 C ATOM 1713 O TRP A 168 0.678 4.656 0.587 1.00 0.43 O ATOM 1714 CB TRP A 168 -1.004 4.147 3.132 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.064 3.792 4.245 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.321 2.953 5.285 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.275 4.268 4.436 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.780 2.857 6.100 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.770 3.658 5.603 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.105 5.143 3.730 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.055 3.895 6.077 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.380 5.380 4.206 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.844 4.757 5.367 1.00 0.50 C ATOM 0 H TRP A 168 -1.111 1.671 3.193 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.622 3.513 1.169 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.861 5.195 2.867 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -2.029 4.045 3.488 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.256 2.437 5.446 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.848 2.282 6.940 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.756 5.625 2.829 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.417 3.415 6.974 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 4.029 6.058 3.672 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.847 4.961 5.711 1.00 0.50 H new ATOM 1734 N LEU A 169 1.477 2.713 1.362 1.00 0.41 N ATOM 1735 CA LEU A 169 2.784 2.866 0.746 1.00 0.38 C ATOM 1736 C LEU A 169 2.701 2.840 -0.779 1.00 0.39 C ATOM 1737 O LEU A 169 3.663 3.188 -1.462 1.00 0.41 O ATOM 1738 CB LEU A 169 3.735 1.792 1.268 1.00 0.44 C ATOM 1739 CG LEU A 169 4.330 2.096 2.643 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.908 0.841 3.266 1.00 0.66 C ATOM 1741 CD2 LEU A 169 5.402 3.173 2.529 1.00 0.55 C ATOM 0 H LEU A 169 1.372 1.859 1.910 1.00 0.41 H new ATOM 0 HA LEU A 169 3.176 3.845 1.022 1.00 0.38 H new ATOM 0 HB2 LEU A 169 3.201 0.843 1.317 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.548 1.664 0.553 1.00 0.44 H new ATOM 0 HG LEU A 169 3.532 2.463 3.289 1.00 0.46 H new ATOM 0 HD11 LEU A 169 5.326 1.080 4.244 1.00 0.66 H new ATOM 0 HD12 LEU A 169 4.121 0.096 3.380 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.693 0.444 2.623 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.817 3.379 3.516 1.00 0.55 H new ATOM 0 HD22 LEU A 169 6.196 2.828 1.867 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.961 4.084 2.123 1.00 0.55 H new ATOM 1753 N LYS A 170 1.548 2.428 -1.315 1.00 0.44 N ATOM 1754 CA LYS A 170 1.320 2.462 -2.762 1.00 0.52 C ATOM 1755 C LYS A 170 1.352 3.897 -3.281 1.00 0.50 C ATOM 1756 O LYS A 170 1.376 4.129 -4.490 1.00 0.61 O ATOM 1757 CB LYS A 170 -0.019 1.790 -3.125 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.276 2.511 -2.617 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.744 3.642 -3.541 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.082 3.143 -4.942 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.167 2.127 -4.931 1.00 1.48 N ATOM 0 H LYS A 170 0.763 2.069 -0.772 1.00 0.44 H new ATOM 0 HA LYS A 170 2.124 1.903 -3.241 1.00 0.52 H new ATOM 0 HB2 LYS A 170 -0.082 1.707 -4.210 1.00 0.66 H new ATOM 0 HB3 LYS A 170 -0.017 0.775 -2.727 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -2.082 1.786 -2.506 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -1.076 2.920 -1.627 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -2.621 4.123 -3.108 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.964 4.401 -3.606 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.383 3.987 -5.563 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -1.190 2.714 -5.398 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -3.456 1.917 -5.908 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.823 1.257 -4.477 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.982 2.495 -4.401 1.00 1.48 H new ATOM 1775 N TYR A 171 1.327 4.855 -2.362 1.00 0.45 N ATOM 1776 CA TYR A 171 1.371 6.258 -2.725 1.00 0.52 C ATOM 1777 C TYR A 171 2.787 6.693 -3.085 1.00 0.53 C ATOM 1778 O TYR A 171 2.965 7.473 -4.017 1.00 0.68 O ATOM 1779 CB TYR A 171 0.828 7.127 -1.586 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.683 7.119 -1.471 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.439 8.210 -1.875 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.352 6.017 -0.956 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.814 8.205 -1.769 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.729 6.003 -0.847 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.455 7.109 -1.262 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.826 7.097 -1.144 1.00 1.97 O ATOM 0 H TYR A 171 1.276 4.681 -1.358 1.00 0.45 H new ATOM 0 HA TYR A 171 0.740 6.392 -3.604 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.256 6.783 -0.644 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.166 8.153 -1.733 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.942 9.079 -2.280 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.786 5.155 -0.635 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.384 9.066 -2.086 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.235 5.139 -0.442 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.114 6.240 -0.766 1.00 1.97 H new ATOM 1796 N ILE A 172 3.792 6.161 -2.380 1.00 0.43 N ATOM 1797 CA ILE A 172 5.168 6.617 -2.575 1.00 0.46 C ATOM 1798 C ILE A 172 5.603 6.398 -4.020 1.00 0.56 C ATOM 1799 O ILE A 172 5.322 5.352 -4.613 1.00 0.67 O ATOM 1800 CB ILE A 172 6.175 5.901 -1.651 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.543 5.498 -0.306 1.00 0.42 C ATOM 1802 CG2 ILE A 172 7.371 6.814 -1.430 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.808 6.452 0.845 1.00 0.54 C ATOM 0 H ILE A 172 3.680 5.427 -1.681 1.00 0.43 H new ATOM 0 HA ILE A 172 5.171 7.678 -2.326 1.00 0.46 H new ATOM 0 HB ILE A 172 6.493 4.977 -2.134 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.465 5.408 -0.442 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.913 4.510 -0.031 1.00 0.42 H new ATOM 0 HG21 ILE A 172 8.091 6.319 -0.778 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.842 7.036 -2.388 1.00 0.57 H new ATOM 0 HG23 ILE A 172 7.039 7.742 -0.965 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.321 6.079 1.746 1.00 0.54 H new ATOM 0 HD12 ILE A 172 6.882 6.525 1.017 1.00 0.54 H new ATOM 0 HD13 ILE A 172 5.412 7.437 0.599 1.00 0.54 H new ATOM 1815 N ARG A 173 6.278 7.384 -4.589 1.00 0.71 N ATOM 1816 CA ARG A 173 6.651 7.330 -5.994 1.00 0.92 C ATOM 1817 C ARG A 173 8.159 7.200 -6.203 1.00 0.69 C ATOM 1818 O ARG A 173 8.932 7.094 -5.250 1.00 0.61 O ATOM 1819 CB ARG A 173 6.129 8.567 -6.721 1.00 1.38 C ATOM 1820 CG ARG A 173 4.615 8.603 -6.849 1.00 1.82 C ATOM 1821 CD ARG A 173 4.099 7.377 -7.581 1.00 2.22 C ATOM 1822 NE ARG A 173 2.703 7.520 -7.992 1.00 2.79 N ATOM 1823 CZ ARG A 173 1.716 6.752 -7.540 1.00 3.52 C ATOM 1824 NH1 ARG A 173 1.949 5.870 -6.576 1.00 3.84 N ATOM 1825 NH2 ARG A 173 0.489 6.886 -8.030 1.00 4.34 N ATOM 0 H ARG A 173 6.578 8.229 -4.102 1.00 0.71 H new ATOM 0 HA ARG A 173 6.193 6.432 -6.410 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.462 9.458 -6.189 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.571 8.607 -7.717 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.164 8.655 -5.858 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.313 9.504 -7.384 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.717 7.195 -8.460 1.00 2.22 H new ATOM 0 HD3 ARG A 173 4.197 6.504 -6.936 1.00 2.22 H new ATOM 0 HE ARG A 173 2.473 8.251 -8.665 1.00 2.79 H new ATOM 0 HH11 ARG A 173 2.885 5.781 -6.182 1.00 3.84 H new ATOM 0 HH12 ARG A 173 1.192 5.281 -6.230 1.00 3.84 H new ATOM 0 HH21 ARG A 173 0.302 7.579 -8.755 1.00 4.34 H new ATOM 0 HH22 ARG A 173 -0.266 6.296 -7.682 1.00 4.34 H new ATOM 1839 N VAL A 174 8.552 7.199 -7.476 1.00 0.70 N ATOM 1840 CA VAL A 174 9.950 7.079 -7.878 1.00 0.63 C ATOM 1841 C VAL A 174 10.685 8.407 -7.666 1.00 0.55 C ATOM 1842 O VAL A 174 10.056 9.463 -7.577 1.00 0.62 O ATOM 1843 CB VAL A 174 10.047 6.656 -9.371 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.488 6.413 -9.800 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.209 5.415 -9.632 1.00 1.07 C ATOM 0 H VAL A 174 7.905 7.282 -8.260 1.00 0.70 H new ATOM 0 HA VAL A 174 10.420 6.314 -7.260 1.00 0.63 H new ATOM 0 HB VAL A 174 9.657 7.482 -9.966 1.00 0.73 H new ATOM 0 HG11 VAL A 174 11.511 6.120 -10.850 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.067 7.327 -9.666 1.00 0.98 H new ATOM 0 HG13 VAL A 174 11.920 5.618 -9.192 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.290 5.135 -10.682 1.00 1.07 H new ATOM 0 HG22 VAL A 174 9.568 4.596 -9.009 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.166 5.623 -9.392 1.00 1.07 H new ATOM 1855 N ALA A 175 12.013 8.337 -7.570 1.00 0.53 N ATOM 1856 CA ALA A 175 12.844 9.518 -7.375 1.00 0.57 C ATOM 1857 C ALA A 175 12.603 10.562 -8.452 1.00 0.52 C ATOM 1858 O ALA A 175 12.913 10.344 -9.623 1.00 0.57 O ATOM 1859 CB ALA A 175 14.315 9.133 -7.365 1.00 0.71 C ATOM 0 H ALA A 175 12.537 7.464 -7.625 1.00 0.53 H new ATOM 0 HA ALA A 175 12.570 9.951 -6.413 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.924 10.025 -7.219 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.501 8.429 -6.554 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.576 8.668 -8.316 1.00 0.71 H new ATOM 1865 N CYS A 176 12.052 11.699 -8.045 1.00 0.62 N ATOM 1866 CA CYS A 176 11.846 12.818 -8.951 1.00 0.69 C ATOM 1867 C CYS A 176 13.191 13.464 -9.283 1.00 0.68 C ATOM 1868 O CYS A 176 13.338 14.148 -10.296 1.00 0.84 O ATOM 1869 CB CYS A 176 10.898 13.839 -8.316 1.00 0.85 C ATOM 1870 SG CYS A 176 10.330 15.133 -9.445 1.00 1.88 S ATOM 0 H CYS A 176 11.739 11.869 -7.089 1.00 0.62 H new ATOM 0 HA CYS A 176 11.393 12.458 -9.875 1.00 0.69 H new ATOM 0 HB2 CYS A 176 10.030 13.313 -7.919 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.401 14.307 -7.470 1.00 0.85 H new ATOM 0 HG CYS A 176 11.251 15.371 -10.331 1.00 1.88 H new ATOM 1876 N SER A 177 14.172 13.221 -8.426 1.00 0.63 N ATOM 1877 CA SER A 177 15.519 13.728 -8.621 1.00 0.71 C ATOM 1878 C SER A 177 16.509 12.568 -8.559 1.00 0.65 C ATOM 1879 O SER A 177 16.372 11.665 -7.732 1.00 0.66 O ATOM 1880 CB SER A 177 15.838 14.781 -7.557 1.00 0.88 C ATOM 1881 OG SER A 177 17.192 15.194 -7.618 1.00 1.63 O ATOM 0 H SER A 177 14.055 12.667 -7.577 1.00 0.63 H new ATOM 0 HA SER A 177 15.598 14.202 -9.600 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.188 15.645 -7.693 1.00 0.88 H new ATOM 0 HB3 SER A 177 15.626 14.375 -6.568 1.00 0.88 H new ATOM 0 HG SER A 177 17.576 15.191 -6.716 1.00 1.63 H new ATOM 1887 N CYS A 178 17.502 12.604 -9.439 1.00 0.71 N ATOM 1888 CA CYS A 178 18.382 11.463 -9.666 1.00 0.76 C ATOM 1889 C CYS A 178 19.407 11.266 -8.552 1.00 0.71 C ATOM 1890 O CYS A 178 19.781 10.138 -8.251 1.00 0.77 O ATOM 1891 CB CYS A 178 19.096 11.620 -11.008 1.00 1.00 C ATOM 1892 SG CYS A 178 17.973 11.850 -12.406 1.00 1.96 S ATOM 0 H CYS A 178 17.720 13.419 -10.012 1.00 0.71 H new ATOM 0 HA CYS A 178 17.752 10.574 -9.674 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.772 12.473 -10.952 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.710 10.738 -11.188 1.00 1.00 H new ATOM 0 HG CYS A 178 18.663 11.977 -13.501 1.00 1.96 H new ATOM 1898 N ASP A 179 19.874 12.348 -7.946 1.00 0.76 N ATOM 1899 CA ASP A 179 20.881 12.237 -6.888 1.00 0.88 C ATOM 1900 C ASP A 179 20.214 12.056 -5.531 1.00 0.82 C ATOM 1901 O ASP A 179 20.850 11.671 -4.552 1.00 0.99 O ATOM 1902 CB ASP A 179 21.787 13.469 -6.862 1.00 1.08 C ATOM 1903 CG ASP A 179 22.922 13.327 -5.866 1.00 1.81 C ATOM 1904 OD1 ASP A 179 22.856 13.955 -4.790 1.00 2.40 O ATOM 1905 OD2 ASP A 179 23.885 12.588 -6.148 1.00 2.42 O ATOM 0 H ASP A 179 19.581 13.301 -8.160 1.00 0.76 H new ATOM 0 HA ASP A 179 21.493 11.361 -7.101 1.00 0.88 H new ATOM 0 HB2 ASP A 179 22.199 13.636 -7.857 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.194 14.348 -6.611 1.00 1.08 H new ATOM 1910 N ASP A 180 18.918 12.302 -5.497 1.00 0.70 N ATOM 1911 CA ASP A 180 18.140 12.244 -4.263 1.00 0.75 C ATOM 1912 C ASP A 180 17.723 10.821 -3.917 1.00 0.60 C ATOM 1913 O ASP A 180 16.782 10.624 -3.147 1.00 0.64 O ATOM 1914 CB ASP A 180 16.904 13.139 -4.361 1.00 0.92 C ATOM 1915 CG ASP A 180 17.221 14.596 -4.107 1.00 1.41 C ATOM 1916 OD1 ASP A 180 17.683 15.285 -5.043 1.00 2.12 O ATOM 1917 OD2 ASP A 180 17.008 15.060 -2.968 1.00 1.55 O ATOM 0 H ASP A 180 18.370 12.548 -6.321 1.00 0.70 H new ATOM 0 HA ASP A 180 18.785 12.607 -3.463 1.00 0.75 H new ATOM 0 HB2 ASP A 180 16.461 13.034 -5.352 1.00 0.92 H new ATOM 0 HB3 ASP A 180 16.158 12.802 -3.641 1.00 0.92 H new ATOM 1922 N GLN A 181 18.410 9.835 -4.494 1.00 0.51 N ATOM 1923 CA GLN A 181 18.048 8.432 -4.304 1.00 0.46 C ATOM 1924 C GLN A 181 17.958 8.094 -2.823 1.00 0.46 C ATOM 1925 O GLN A 181 18.955 8.123 -2.105 1.00 0.56 O ATOM 1926 CB GLN A 181 19.094 7.515 -4.950 1.00 0.56 C ATOM 1927 CG GLN A 181 19.326 7.765 -6.435 1.00 0.62 C ATOM 1928 CD GLN A 181 18.285 7.135 -7.354 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.072 6.927 -6.862 1.00 1.35 O flip ATOM 1930 NE2 GLN A 181 18.584 6.812 -8.503 1.00 0.98 N flip ATOM 0 H GLN A 181 19.220 9.983 -5.096 1.00 0.51 H new ATOM 0 HA GLN A 181 17.077 8.276 -4.775 1.00 0.46 H new ATOM 0 HB2 GLN A 181 20.040 7.637 -4.422 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.784 6.479 -4.813 1.00 0.56 H new ATOM 0 HG2 GLN A 181 19.344 8.841 -6.611 1.00 0.62 H new ATOM 0 HG3 GLN A 181 20.310 7.382 -6.705 1.00 0.62 H new ATOM 0 HE21 GLN A 181 19.526 6.985 -8.853 1.00 0.98 H new ATOM 0 HE22 GLN A 181 17.889 6.371 -9.106 1.00 0.98 H new ATOM 1939 N ASN A 182 16.753 7.785 -2.379 1.00 0.40 N ATOM 1940 CA ASN A 182 16.522 7.330 -1.030 1.00 0.41 C ATOM 1941 C ASN A 182 15.480 6.213 -1.055 1.00 0.36 C ATOM 1942 O ASN A 182 14.820 5.909 -0.066 1.00 0.42 O ATOM 1943 CB ASN A 182 16.048 8.499 -0.172 1.00 0.49 C ATOM 1944 CG ASN A 182 15.710 8.101 1.244 1.00 0.99 C ATOM 1945 OD1 ASN A 182 16.440 7.350 1.897 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.580 8.589 1.709 1.00 0.93 N ATOM 0 H ASN A 182 15.909 7.844 -2.949 1.00 0.40 H new ATOM 0 HA ASN A 182 17.445 6.942 -0.599 1.00 0.41 H new ATOM 0 HB2 ASN A 182 16.824 9.264 -0.152 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.170 8.948 -0.635 1.00 0.49 H new ATOM 0 HD21 ASN A 182 14.271 8.350 2.651 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.013 9.206 1.127 1.00 0.93 H new ATOM 1953 N LEU A 183 15.368 5.564 -2.197 1.00 0.34 N ATOM 1954 CA LEU A 183 14.307 4.601 -2.400 1.00 0.35 C ATOM 1955 C LEU A 183 14.872 3.190 -2.430 1.00 0.36 C ATOM 1956 O LEU A 183 15.687 2.852 -3.290 1.00 0.39 O ATOM 1957 CB LEU A 183 13.556 4.904 -3.708 1.00 0.39 C ATOM 1958 CG LEU A 183 13.262 6.383 -3.968 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.443 7.061 -4.636 1.00 0.73 C ATOM 1960 CD2 LEU A 183 12.016 6.547 -4.818 1.00 0.81 C ATOM 0 H LEU A 183 15.994 5.685 -2.993 1.00 0.34 H new ATOM 0 HA LEU A 183 13.605 4.676 -1.569 1.00 0.35 H new ATOM 0 HB2 LEU A 183 14.141 4.515 -4.542 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.612 4.359 -3.700 1.00 0.39 H new ATOM 0 HG LEU A 183 13.088 6.861 -3.004 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.209 8.111 -4.810 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.318 6.986 -3.991 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.652 6.573 -5.588 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.829 7.607 -4.988 1.00 0.81 H new ATOM 0 HD22 LEU A 183 12.160 6.045 -5.775 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.163 6.106 -4.302 1.00 0.81 H new ATOM 1972 N THR A 184 14.456 2.371 -1.476 1.00 0.37 N ATOM 1973 CA THR A 184 14.866 0.983 -1.431 1.00 0.41 C ATOM 1974 C THR A 184 13.770 0.121 -0.810 1.00 0.41 C ATOM 1975 O THR A 184 13.166 0.490 0.198 1.00 0.45 O ATOM 1976 CB THR A 184 16.180 0.812 -0.639 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.230 1.554 -1.273 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.581 -0.651 -0.543 1.00 0.49 C ATOM 0 H THR A 184 13.831 2.650 -0.720 1.00 0.37 H new ATOM 0 HA THR A 184 15.039 0.656 -2.456 1.00 0.41 H new ATOM 0 HB THR A 184 16.016 1.190 0.370 1.00 0.45 H new ATOM 0 HG1 THR A 184 18.061 1.443 -0.766 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.510 -0.737 0.020 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.795 -1.211 -0.036 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.725 -1.055 -1.545 1.00 0.49 H new ATOM 1986 N MET A 185 13.499 -1.011 -1.431 1.00 0.49 N ATOM 1987 CA MET A 185 12.505 -1.941 -0.928 1.00 0.51 C ATOM 1988 C MET A 185 13.095 -3.334 -0.837 1.00 0.60 C ATOM 1989 O MET A 185 13.811 -3.775 -1.733 1.00 0.90 O ATOM 1990 CB MET A 185 11.265 -1.948 -1.824 1.00 0.77 C ATOM 1991 CG MET A 185 10.375 -0.730 -1.639 1.00 1.01 C ATOM 1992 SD MET A 185 9.031 -0.653 -2.842 1.00 1.35 S ATOM 1993 CE MET A 185 8.275 -2.261 -2.632 1.00 1.03 C ATOM 0 H MET A 185 13.957 -1.311 -2.292 1.00 0.49 H new ATOM 0 HA MET A 185 12.204 -1.618 0.068 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.580 -2.003 -2.866 1.00 0.77 H new ATOM 0 HB3 MET A 185 10.684 -2.847 -1.619 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.955 -0.742 -0.633 1.00 1.01 H new ATOM 0 HG3 MET A 185 10.981 0.172 -1.720 1.00 1.01 H new ATOM 0 HE1 MET A 185 7.210 -2.194 -2.855 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.744 -2.975 -3.309 1.00 1.03 H new ATOM 0 HE3 MET A 185 8.410 -2.595 -1.603 1.00 1.03 H new ATOM 2003 N CYS A 186 12.803 -4.011 0.254 1.00 0.55 N ATOM 2004 CA CYS A 186 13.327 -5.340 0.489 1.00 0.81 C ATOM 2005 C CYS A 186 12.182 -6.345 0.491 1.00 0.71 C ATOM 2006 O CYS A 186 11.022 -5.981 0.694 1.00 0.65 O ATOM 2007 CB CYS A 186 14.083 -5.375 1.822 1.00 1.10 C ATOM 2008 SG CYS A 186 15.091 -6.854 2.073 1.00 1.73 S ATOM 0 H CYS A 186 12.200 -3.659 0.998 1.00 0.55 H new ATOM 0 HA CYS A 186 14.024 -5.604 -0.307 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.726 -4.497 1.883 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.362 -5.299 2.636 1.00 1.10 H new ATOM 0 HG CYS A 186 15.688 -6.782 3.226 1.00 1.73 H new ATOM 2014 N GLN A 187 12.506 -7.600 0.246 1.00 0.81 N ATOM 2015 CA GLN A 187 11.509 -8.651 0.215 1.00 0.79 C ATOM 2016 C GLN A 187 11.885 -9.726 1.227 1.00 0.87 C ATOM 2017 O GLN A 187 12.813 -10.505 1.009 1.00 1.01 O ATOM 2018 CB GLN A 187 11.413 -9.219 -1.207 1.00 0.95 C ATOM 2019 CG GLN A 187 10.130 -9.984 -1.500 1.00 1.08 C ATOM 2020 CD GLN A 187 10.151 -11.411 -0.994 1.00 1.47 C ATOM 2021 OE1 GLN A 187 11.203 -12.039 -0.901 1.00 1.93 O ATOM 2022 NE2 GLN A 187 8.985 -11.938 -0.678 1.00 1.60 N ATOM 0 H GLN A 187 13.458 -7.917 0.065 1.00 0.81 H new ATOM 0 HA GLN A 187 10.529 -8.257 0.486 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.501 -8.398 -1.918 1.00 0.95 H new ATOM 0 HB3 GLN A 187 12.262 -9.881 -1.377 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.290 -9.458 -1.046 1.00 1.08 H new ATOM 0 HG3 GLN A 187 9.958 -9.991 -2.576 1.00 1.08 H new ATOM 0 HE21 GLN A 187 8.133 -11.384 -0.769 1.00 1.60 H new ATOM 0 HE22 GLN A 187 8.934 -12.900 -0.342 1.00 1.60 H new ATOM 2031 N ILE A 188 11.169 -9.749 2.343 1.00 0.82 N ATOM 2032 CA ILE A 188 11.485 -10.652 3.444 1.00 0.92 C ATOM 2033 C ILE A 188 10.227 -11.349 3.940 1.00 0.95 C ATOM 2034 O ILE A 188 9.167 -10.740 3.994 1.00 0.87 O ATOM 2035 CB ILE A 188 12.140 -9.903 4.632 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.248 -8.744 5.091 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.517 -9.390 4.247 1.00 1.07 C ATOM 2038 CD1 ILE A 188 11.689 -8.105 6.393 1.00 1.11 C ATOM 0 H ILE A 188 10.361 -9.150 2.511 1.00 0.82 H new ATOM 0 HA ILE A 188 12.193 -11.386 3.059 1.00 0.92 H new ATOM 0 HB ILE A 188 12.253 -10.604 5.459 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.230 -7.982 4.312 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.227 -9.108 5.204 1.00 0.96 H new ATOM 0 HG21 ILE A 188 13.960 -8.867 5.094 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.153 -10.230 3.966 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.427 -8.705 3.404 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.007 -7.294 6.649 1.00 1.11 H new ATOM 0 HD12 ILE A 188 11.679 -8.852 7.187 1.00 1.11 H new ATOM 0 HD13 ILE A 188 12.698 -7.709 6.280 1.00 1.11 H new ATOM 2050 N SER A 189 10.352 -12.633 4.269 1.00 1.12 N ATOM 2051 CA SER A 189 9.250 -13.415 4.840 1.00 1.23 C ATOM 2052 C SER A 189 7.989 -13.348 3.971 1.00 1.13 C ATOM 2053 O SER A 189 6.871 -13.519 4.464 1.00 1.15 O ATOM 2054 CB SER A 189 8.942 -12.913 6.251 1.00 1.31 C ATOM 2055 OG SER A 189 10.132 -12.797 7.018 1.00 1.86 O ATOM 0 H SER A 189 11.216 -13.162 4.149 1.00 1.12 H new ATOM 0 HA SER A 189 9.564 -14.458 4.878 1.00 1.23 H new ATOM 0 HB2 SER A 189 8.444 -11.945 6.196 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.253 -13.599 6.743 1.00 1.31 H new ATOM 0 HG SER A 189 9.912 -12.473 7.916 1.00 1.86 H new ATOM 2061 N GLU A 190 8.194 -13.112 2.678 1.00 1.11 N ATOM 2062 CA GLU A 190 7.113 -12.984 1.705 1.00 1.13 C ATOM 2063 C GLU A 190 6.210 -11.782 2.003 1.00 0.96 C ATOM 2064 O GLU A 190 5.045 -11.758 1.610 1.00 1.05 O ATOM 2065 CB GLU A 190 6.300 -14.278 1.619 1.00 1.34 C ATOM 2066 CG GLU A 190 7.136 -15.491 1.232 1.00 1.74 C ATOM 2067 CD GLU A 190 7.827 -15.335 -0.111 1.00 2.26 C ATOM 2068 OE1 GLU A 190 7.340 -15.906 -1.111 1.00 2.66 O ATOM 2069 OE2 GLU A 190 8.849 -14.623 -0.183 1.00 2.83 O ATOM 0 H GLU A 190 9.124 -13.003 2.272 1.00 1.11 H new ATOM 0 HA GLU A 190 7.572 -12.804 0.733 1.00 1.13 H new ATOM 0 HB2 GLU A 190 5.825 -14.465 2.582 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.501 -14.149 0.889 1.00 1.34 H new ATOM 0 HG2 GLU A 190 7.887 -15.668 2.002 1.00 1.74 H new ATOM 0 HG3 GLU A 190 6.495 -16.372 1.204 1.00 1.74 H new ATOM 2076 N GLN A 191 6.760 -10.784 2.683 1.00 0.81 N ATOM 2077 CA GLN A 191 6.062 -9.524 2.896 1.00 0.71 C ATOM 2078 C GLN A 191 6.844 -8.399 2.223 1.00 0.61 C ATOM 2079 O GLN A 191 8.044 -8.532 1.970 1.00 0.65 O ATOM 2080 CB GLN A 191 5.889 -9.227 4.394 1.00 0.78 C ATOM 2081 CG GLN A 191 7.192 -8.910 5.114 1.00 0.87 C ATOM 2082 CD GLN A 191 7.007 -8.589 6.586 1.00 1.15 C ATOM 2083 OE1 GLN A 191 5.870 -8.004 6.937 1.00 1.75 O flip ATOM 2084 NE2 GLN A 191 7.889 -8.861 7.403 1.00 1.46 N flip ATOM 0 H GLN A 191 7.691 -10.824 3.098 1.00 0.81 H new ATOM 0 HA GLN A 191 5.067 -9.597 2.457 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.206 -8.385 4.511 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.420 -10.087 4.873 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.867 -9.760 5.018 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.673 -8.064 4.623 1.00 0.87 H new ATOM 0 HE21 GLN A 191 8.750 -9.311 7.093 1.00 1.46 H new ATOM 0 HE22 GLN A 191 7.758 -8.636 8.389 1.00 1.46 H new ATOM 2093 N ILE A 192 6.163 -7.303 1.919 1.00 0.56 N ATOM 2094 CA ILE A 192 6.801 -6.173 1.263 1.00 0.50 C ATOM 2095 C ILE A 192 7.381 -5.211 2.296 1.00 0.47 C ATOM 2096 O ILE A 192 6.664 -4.690 3.159 1.00 0.61 O ATOM 2097 CB ILE A 192 5.819 -5.431 0.330 1.00 0.65 C ATOM 2098 CG1 ILE A 192 5.278 -6.388 -0.741 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.492 -4.231 -0.318 1.00 0.64 C ATOM 2100 CD1 ILE A 192 6.353 -7.042 -1.584 1.00 1.01 C ATOM 0 H ILE A 192 5.171 -7.173 2.116 1.00 0.56 H new ATOM 0 HA ILE A 192 7.613 -6.563 0.650 1.00 0.50 H new ATOM 0 HB ILE A 192 4.983 -5.068 0.928 1.00 0.65 H new ATOM 0 HG12 ILE A 192 4.689 -7.166 -0.254 1.00 0.89 H new ATOM 0 HG13 ILE A 192 4.601 -5.839 -1.396 1.00 0.89 H new ATOM 0 HG21 ILE A 192 5.781 -3.724 -0.971 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.830 -3.542 0.456 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.348 -4.566 -0.904 1.00 0.64 H new ATOM 0 HD11 ILE A 192 5.889 -7.703 -2.316 1.00 1.01 H new ATOM 0 HD12 ILE A 192 6.928 -6.274 -2.101 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.017 -7.621 -0.942 1.00 1.01 H new ATOM 2112 N TYR A 193 8.681 -4.986 2.194 1.00 0.48 N ATOM 2113 CA TYR A 193 9.424 -4.225 3.182 1.00 0.68 C ATOM 2114 C TYR A 193 9.955 -2.929 2.567 1.00 0.50 C ATOM 2115 O TYR A 193 10.698 -2.957 1.589 1.00 0.47 O ATOM 2116 CB TYR A 193 10.579 -5.101 3.682 1.00 1.05 C ATOM 2117 CG TYR A 193 11.311 -4.604 4.910 1.00 1.54 C ATOM 2118 CD1 TYR A 193 12.462 -3.835 4.788 1.00 2.35 C ATOM 2119 CD2 TYR A 193 10.828 -4.861 6.188 1.00 1.86 C ATOM 2120 CE1 TYR A 193 13.111 -3.337 5.902 1.00 3.17 C ATOM 2121 CE2 TYR A 193 11.476 -4.372 7.307 1.00 2.49 C ATOM 2122 CZ TYR A 193 12.696 -3.770 7.175 1.00 3.09 C ATOM 2123 OH TYR A 193 13.257 -3.113 8.269 1.00 3.94 O ATOM 0 H TYR A 193 9.251 -5.328 1.421 1.00 0.48 H new ATOM 0 HA TYR A 193 8.776 -3.952 4.015 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.187 -6.095 3.896 1.00 1.05 H new ATOM 0 HB3 TYR A 193 11.301 -5.210 2.873 1.00 1.05 H new ATOM 0 HD1 TYR A 193 12.856 -3.623 3.805 1.00 2.35 H new ATOM 0 HD2 TYR A 193 9.932 -5.452 6.309 1.00 1.86 H new ATOM 0 HE1 TYR A 193 13.920 -2.630 5.798 1.00 3.17 H new ATOM 0 HE2 TYR A 193 11.020 -4.465 8.282 1.00 2.49 H new ATOM 0 HH TYR A 193 12.569 -2.969 8.952 1.00 3.94 H new ATOM 2133 N TYR A 194 9.569 -1.794 3.136 1.00 0.49 N ATOM 2134 CA TYR A 194 10.063 -0.502 2.672 1.00 0.41 C ATOM 2135 C TYR A 194 11.178 -0.034 3.583 1.00 0.40 C ATOM 2136 O TYR A 194 10.937 0.291 4.736 1.00 0.49 O ATOM 2137 CB TYR A 194 8.930 0.532 2.675 1.00 0.56 C ATOM 2138 CG TYR A 194 8.037 0.474 1.454 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.275 -0.653 1.171 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.950 1.556 0.591 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.454 -0.695 0.059 1.00 0.89 C ATOM 2142 CE2 TYR A 194 7.133 1.520 -0.522 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.387 0.392 -0.785 1.00 0.80 C ATOM 2144 OH TYR A 194 5.572 0.352 -1.892 1.00 0.92 O ATOM 0 H TYR A 194 8.917 -1.741 3.918 1.00 0.49 H new ATOM 0 HA TYR A 194 10.439 -0.610 1.655 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.320 0.384 3.566 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.363 1.530 2.748 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.325 -1.508 1.829 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.532 2.443 0.793 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.867 -1.578 -0.147 1.00 0.89 H new ATOM 0 HE2 TYR A 194 7.079 2.372 -1.183 1.00 0.85 H new ATOM 0 HH TYR A 194 5.641 1.199 -2.380 1.00 0.92 H new ATOM 2154 N LYS A 195 12.392 0.026 3.062 1.00 0.37 N ATOM 2155 CA LYS A 195 13.550 0.322 3.888 1.00 0.38 C ATOM 2156 C LYS A 195 14.191 1.633 3.472 1.00 0.39 C ATOM 2157 O LYS A 195 14.588 1.804 2.318 1.00 0.43 O ATOM 2158 CB LYS A 195 14.568 -0.824 3.805 1.00 0.40 C ATOM 2159 CG LYS A 195 15.828 -0.601 4.635 1.00 0.43 C ATOM 2160 CD LYS A 195 16.981 -0.063 3.794 1.00 0.46 C ATOM 2161 CE LYS A 195 17.493 -1.117 2.822 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.748 -0.698 2.140 1.00 1.11 N ATOM 0 H LYS A 195 12.601 -0.126 2.075 1.00 0.37 H new ATOM 0 HA LYS A 195 13.218 0.421 4.921 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.088 -1.746 4.134 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.853 -0.967 2.763 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.611 0.099 5.442 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.126 -1.541 5.100 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.651 0.816 3.240 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.792 0.257 4.447 1.00 0.46 H new ATOM 0 HE2 LYS A 195 17.669 -2.049 3.360 1.00 0.53 H new ATOM 0 HE3 LYS A 195 16.727 -1.320 2.074 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 19.029 -1.426 1.452 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.590 0.203 1.646 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 19.503 -0.578 2.845 1.00 1.11 H new ATOM 2176 N VAL A 196 14.300 2.552 4.414 1.00 0.41 N ATOM 2177 CA VAL A 196 14.931 3.825 4.140 1.00 0.45 C ATOM 2178 C VAL A 196 16.417 3.739 4.437 1.00 0.43 C ATOM 2179 O VAL A 196 16.856 2.982 5.303 1.00 0.41 O ATOM 2180 CB VAL A 196 14.323 4.986 4.936 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.312 6.228 4.068 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.922 4.652 5.429 1.00 0.68 C ATOM 0 H VAL A 196 13.961 2.440 5.370 1.00 0.41 H new ATOM 0 HA VAL A 196 14.760 4.034 3.084 1.00 0.45 H new ATOM 0 HB VAL A 196 14.934 5.167 5.820 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.881 7.059 4.627 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.332 6.477 3.777 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.715 6.043 3.175 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.522 5.497 5.989 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.276 4.444 4.576 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.963 3.775 6.076 1.00 0.68 H new ATOM 2192 N ILE A 197 17.179 4.518 3.704 1.00 0.47 N ATOM 2193 CA ILE A 197 18.627 4.385 3.682 1.00 0.45 C ATOM 2194 C ILE A 197 19.308 5.457 4.507 1.00 0.45 C ATOM 2195 O ILE A 197 20.395 5.243 5.040 1.00 0.49 O ATOM 2196 CB ILE A 197 19.084 4.502 2.229 1.00 0.47 C ATOM 2197 CG1 ILE A 197 18.039 3.827 1.373 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.448 3.876 2.002 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.833 4.510 0.071 1.00 0.62 C ATOM 0 H ILE A 197 16.819 5.261 3.106 1.00 0.47 H new ATOM 0 HA ILE A 197 18.899 3.421 4.113 1.00 0.45 H new ATOM 0 HB ILE A 197 19.188 5.554 1.965 1.00 0.47 H new ATOM 0 HG12 ILE A 197 18.335 2.794 1.193 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.094 3.798 1.916 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.728 3.985 0.954 1.00 0.47 H new ATOM 0 HG22 ILE A 197 21.186 4.375 2.629 1.00 0.47 H new ATOM 0 HG23 ILE A 197 20.410 2.818 2.259 1.00 0.47 H new ATOM 0 HD11 ILE A 197 17.071 3.980 -0.501 1.00 0.62 H new ATOM 0 HD12 ILE A 197 17.508 5.536 0.246 1.00 0.62 H new ATOM 0 HD13 ILE A 197 18.768 4.516 -0.489 1.00 0.62 H new ATOM 2211 N LYS A 198 18.679 6.617 4.588 1.00 0.47 N ATOM 2212 CA LYS A 198 19.269 7.754 5.277 1.00 0.49 C ATOM 2213 C LYS A 198 18.205 8.682 5.847 1.00 0.48 C ATOM 2214 O LYS A 198 17.009 8.445 5.686 1.00 0.49 O ATOM 2215 CB LYS A 198 20.137 8.512 4.287 1.00 0.59 C ATOM 2216 CG LYS A 198 19.536 8.520 2.912 1.00 0.75 C ATOM 2217 CD LYS A 198 20.342 9.338 1.946 1.00 0.94 C ATOM 2218 CE LYS A 198 19.773 9.157 0.562 1.00 0.98 C ATOM 2219 NZ LYS A 198 20.426 10.029 -0.450 1.00 1.38 N ATOM 0 H LYS A 198 17.759 6.797 4.185 1.00 0.47 H new ATOM 0 HA LYS A 198 19.864 7.390 6.115 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.271 9.538 4.631 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.127 8.057 4.249 1.00 0.59 H new ATOM 0 HG2 LYS A 198 19.461 7.497 2.544 1.00 0.75 H new ATOM 0 HG3 LYS A 198 18.522 8.916 2.963 1.00 0.75 H new ATOM 0 HD2 LYS A 198 20.317 10.390 2.230 1.00 0.94 H new ATOM 0 HD3 LYS A 198 21.386 9.027 1.968 1.00 0.94 H new ATOM 0 HE2 LYS A 198 19.884 8.115 0.262 1.00 0.98 H new ATOM 0 HE3 LYS A 198 18.704 9.371 0.583 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 20.159 9.714 -1.404 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 20.118 11.013 -0.311 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 21.459 9.971 -0.343 1.00 1.38 H new ATOM 2233 N ASP A 199 18.666 9.746 6.490 1.00 0.52 N ATOM 2234 CA ASP A 199 17.788 10.722 7.125 1.00 0.56 C ATOM 2235 C ASP A 199 17.280 11.727 6.102 1.00 0.55 C ATOM 2236 O ASP A 199 18.059 12.286 5.322 1.00 0.67 O ATOM 2237 CB ASP A 199 18.531 11.443 8.250 1.00 0.67 C ATOM 2238 CG ASP A 199 17.719 12.557 8.880 1.00 1.56 C ATOM 2239 OD1 ASP A 199 16.914 12.269 9.791 1.00 2.23 O ATOM 2240 OD2 ASP A 199 17.865 13.719 8.452 1.00 2.13 O ATOM 0 H ASP A 199 19.659 9.958 6.587 1.00 0.52 H new ATOM 0 HA ASP A 199 16.932 10.196 7.547 1.00 0.56 H new ATOM 0 HB2 ASP A 199 18.803 10.720 9.019 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.460 11.856 7.857 1.00 0.67 H new ATOM 2245 N ILE A 200 15.978 11.954 6.104 1.00 0.52 N ATOM 2246 CA ILE A 200 15.347 12.788 5.087 1.00 0.55 C ATOM 2247 C ILE A 200 14.612 13.959 5.717 1.00 0.54 C ATOM 2248 O ILE A 200 14.203 13.900 6.873 1.00 0.57 O ATOM 2249 CB ILE A 200 14.355 11.958 4.250 1.00 0.63 C ATOM 2250 CG1 ILE A 200 15.047 10.718 3.699 1.00 0.69 C ATOM 2251 CG2 ILE A 200 13.753 12.768 3.110 1.00 0.80 C ATOM 2252 CD1 ILE A 200 16.274 11.015 2.856 1.00 0.88 C ATOM 0 H ILE A 200 15.334 11.574 6.797 1.00 0.52 H new ATOM 0 HA ILE A 200 16.136 13.174 4.442 1.00 0.55 H new ATOM 0 HB ILE A 200 13.539 11.660 4.908 1.00 0.63 H new ATOM 0 HG12 ILE A 200 15.338 10.077 4.532 1.00 0.69 H new ATOM 0 HG13 ILE A 200 14.334 10.154 3.097 1.00 0.69 H new ATOM 0 HG21 ILE A 200 13.060 12.144 2.546 1.00 0.80 H new ATOM 0 HG22 ILE A 200 13.219 13.627 3.516 1.00 0.80 H new ATOM 0 HG23 ILE A 200 14.548 13.114 2.450 1.00 0.80 H new ATOM 0 HD11 ILE A 200 16.708 10.080 2.502 1.00 0.88 H new ATOM 0 HD12 ILE A 200 15.989 11.629 2.002 1.00 0.88 H new ATOM 0 HD13 ILE A 200 17.008 11.550 3.458 1.00 0.88 H new ATOM 2264 N GLU A 201 14.459 15.024 4.949 1.00 0.55 N ATOM 2265 CA GLU A 201 13.721 16.190 5.396 1.00 0.57 C ATOM 2266 C GLU A 201 12.224 15.931 5.279 1.00 0.49 C ATOM 2267 O GLU A 201 11.725 15.646 4.189 1.00 0.55 O ATOM 2268 CB GLU A 201 14.102 17.416 4.572 1.00 0.68 C ATOM 2269 CG GLU A 201 15.543 17.854 4.756 1.00 0.81 C ATOM 2270 CD GLU A 201 15.830 19.166 4.062 1.00 1.29 C ATOM 2271 OE1 GLU A 201 15.033 20.115 4.207 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.866 19.260 3.374 1.00 2.06 O ATOM 0 H GLU A 201 14.840 15.104 4.006 1.00 0.55 H new ATOM 0 HA GLU A 201 13.973 16.382 6.439 1.00 0.57 H new ATOM 0 HB2 GLU A 201 13.929 17.201 3.517 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.444 18.242 4.841 1.00 0.68 H new ATOM 0 HG2 GLU A 201 15.759 17.952 5.820 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.208 17.084 4.365 1.00 0.81 H new ATOM 2279 N PRO A 202 11.496 16.017 6.402 1.00 0.43 N ATOM 2280 CA PRO A 202 10.050 15.773 6.438 1.00 0.43 C ATOM 2281 C PRO A 202 9.298 16.579 5.385 1.00 0.45 C ATOM 2282 O PRO A 202 9.391 17.807 5.345 1.00 0.51 O ATOM 2283 CB PRO A 202 9.649 16.230 7.840 1.00 0.49 C ATOM 2284 CG PRO A 202 10.881 16.072 8.658 1.00 0.49 C ATOM 2285 CD PRO A 202 12.028 16.363 7.734 1.00 0.45 C ATOM 0 HA PRO A 202 9.809 14.731 6.226 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.307 17.265 7.836 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.832 15.626 8.234 1.00 0.49 H new ATOM 0 HG2 PRO A 202 10.878 16.758 9.505 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.953 15.063 9.065 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.329 17.409 7.786 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.905 15.766 7.983 1.00 0.45 H new ATOM 2293 N GLY A 203 8.549 15.888 4.540 1.00 0.44 N ATOM 2294 CA GLY A 203 7.818 16.558 3.483 1.00 0.52 C ATOM 2295 C GLY A 203 8.171 16.047 2.099 1.00 0.54 C ATOM 2296 O GLY A 203 7.612 16.509 1.105 1.00 0.70 O ATOM 0 H GLY A 203 8.434 14.875 4.566 1.00 0.44 H new ATOM 0 HA2 GLY A 203 6.749 16.428 3.650 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.020 17.628 3.531 1.00 0.52 H new ATOM 2300 N GLU A 204 9.102 15.103 2.021 1.00 0.48 N ATOM 2301 CA GLU A 204 9.439 14.474 0.747 1.00 0.51 C ATOM 2302 C GLU A 204 9.578 12.961 0.913 1.00 0.39 C ATOM 2303 O GLU A 204 10.338 12.479 1.756 1.00 0.40 O ATOM 2304 CB GLU A 204 10.717 15.086 0.157 1.00 0.65 C ATOM 2305 CG GLU A 204 11.912 15.057 1.092 1.00 0.71 C ATOM 2306 CD GLU A 204 13.112 15.790 0.529 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.032 15.122 0.010 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.141 17.036 0.592 1.00 1.27 O ATOM 0 H GLU A 204 9.635 14.757 2.819 1.00 0.48 H new ATOM 0 HA GLU A 204 8.626 14.662 0.046 1.00 0.51 H new ATOM 0 HB2 GLU A 204 10.973 14.552 -0.758 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.515 16.120 -0.124 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.633 15.504 2.046 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.186 14.021 1.293 1.00 0.71 H new ATOM 2315 N GLU A 205 8.809 12.219 0.127 1.00 0.47 N ATOM 2316 CA GLU A 205 8.806 10.765 0.196 1.00 0.51 C ATOM 2317 C GLU A 205 9.474 10.147 -1.031 1.00 0.43 C ATOM 2318 O GLU A 205 9.025 10.343 -2.157 1.00 0.49 O ATOM 2319 CB GLU A 205 7.369 10.254 0.323 1.00 0.80 C ATOM 2320 CG GLU A 205 6.421 10.834 -0.719 1.00 1.49 C ATOM 2321 CD GLU A 205 5.650 9.768 -1.467 1.00 2.41 C ATOM 2322 OE1 GLU A 205 5.969 9.520 -2.649 1.00 2.84 O ATOM 2323 OE2 GLU A 205 4.725 9.176 -0.872 1.00 2.92 O ATOM 0 H GLU A 205 8.174 12.605 -0.572 1.00 0.47 H new ATOM 0 HA GLU A 205 9.378 10.467 1.075 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.370 9.167 0.237 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.993 10.494 1.318 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.718 11.508 -0.229 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.992 11.430 -1.431 1.00 1.49 H new ATOM 2330 N LEU A 206 10.582 9.451 -0.826 1.00 0.37 N ATOM 2331 CA LEU A 206 11.176 8.680 -1.906 1.00 0.36 C ATOM 2332 C LEU A 206 11.378 7.227 -1.472 1.00 0.36 C ATOM 2333 O LEU A 206 12.348 6.917 -0.794 1.00 0.39 O ATOM 2334 CB LEU A 206 12.512 9.303 -2.344 1.00 0.41 C ATOM 2335 CG LEU A 206 12.452 10.772 -2.784 1.00 0.44 C ATOM 2336 CD1 LEU A 206 12.561 11.706 -1.586 1.00 0.90 C ATOM 2337 CD2 LEU A 206 13.544 11.072 -3.799 1.00 0.84 C ATOM 0 H LEU A 206 11.081 9.404 0.063 1.00 0.37 H new ATOM 0 HA LEU A 206 10.496 8.696 -2.758 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.218 9.219 -1.518 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.914 8.713 -3.168 1.00 0.41 H new ATOM 0 HG LEU A 206 11.485 10.943 -3.257 1.00 0.44 H new ATOM 0 HD11 LEU A 206 12.516 12.741 -1.926 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.737 11.514 -0.899 1.00 0.90 H new ATOM 0 HD13 LEU A 206 13.508 11.533 -1.075 1.00 0.90 H new ATOM 0 HD21 LEU A 206 13.485 12.118 -4.099 1.00 0.84 H new ATOM 0 HD22 LEU A 206 14.519 10.877 -3.353 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.412 10.436 -4.674 1.00 0.84 H new ATOM 2349 N LEU A 207 10.458 6.352 -1.881 1.00 0.37 N ATOM 2350 CA LEU A 207 10.509 4.913 -1.577 1.00 0.40 C ATOM 2351 C LEU A 207 9.890 4.122 -2.733 1.00 0.43 C ATOM 2352 O LEU A 207 8.684 4.210 -2.962 1.00 0.53 O ATOM 2353 CB LEU A 207 9.738 4.571 -0.281 1.00 0.43 C ATOM 2354 CG LEU A 207 10.408 4.918 1.061 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.887 4.565 1.047 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.195 6.382 1.425 1.00 0.44 C ATOM 0 H LEU A 207 9.647 6.621 -2.438 1.00 0.37 H new ATOM 0 HA LEU A 207 11.556 4.645 -1.439 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.776 5.082 -0.318 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.531 3.501 -0.286 1.00 0.43 H new ATOM 0 HG LEU A 207 9.930 4.313 1.832 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.332 4.822 2.008 1.00 0.49 H new ATOM 0 HD12 LEU A 207 12.004 3.496 0.867 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.387 5.123 0.255 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.680 6.594 2.378 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.625 7.016 0.649 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.127 6.584 1.509 1.00 0.44 H new ATOM 2368 N VAL A 208 10.689 3.351 -3.457 1.00 0.43 N ATOM 2369 CA VAL A 208 10.160 2.567 -4.563 1.00 0.50 C ATOM 2370 C VAL A 208 11.050 1.364 -4.862 1.00 0.57 C ATOM 2371 O VAL A 208 12.231 1.344 -4.500 1.00 0.59 O ATOM 2372 CB VAL A 208 9.998 3.429 -5.836 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.347 3.723 -6.462 1.00 0.91 C ATOM 2374 CG2 VAL A 208 9.059 2.767 -6.835 1.00 0.88 C ATOM 0 H VAL A 208 11.692 3.252 -3.302 1.00 0.43 H new ATOM 0 HA VAL A 208 9.177 2.207 -4.260 1.00 0.50 H new ATOM 0 HB VAL A 208 9.549 4.378 -5.544 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.208 4.331 -7.356 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.969 4.264 -5.749 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.835 2.786 -6.732 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.966 3.397 -7.719 1.00 0.88 H new ATOM 0 HG22 VAL A 208 9.460 1.795 -7.123 1.00 0.88 H new ATOM 0 HG23 VAL A 208 8.078 2.634 -6.379 1.00 0.88 H new ATOM 2384 N HIS A 209 10.474 0.360 -5.504 1.00 0.69 N ATOM 2385 CA HIS A 209 11.241 -0.755 -6.021 1.00 0.82 C ATOM 2386 C HIS A 209 11.163 -0.742 -7.541 1.00 0.94 C ATOM 2387 O HIS A 209 10.106 -0.999 -8.120 1.00 1.09 O ATOM 2388 CB HIS A 209 10.698 -2.080 -5.483 1.00 1.02 C ATOM 2389 CG HIS A 209 11.638 -3.232 -5.661 1.00 1.20 C ATOM 2390 ND1 HIS A 209 11.415 -4.202 -6.605 1.00 1.42 N ATOM 2391 CD2 HIS A 209 12.775 -3.524 -4.985 1.00 1.41 C ATOM 2392 CE1 HIS A 209 12.414 -5.059 -6.485 1.00 1.54 C ATOM 2393 NE2 HIS A 209 13.260 -4.689 -5.516 1.00 1.55 N ATOM 0 H HIS A 209 9.471 0.297 -5.679 1.00 0.69 H new ATOM 0 HA HIS A 209 12.278 -0.657 -5.700 1.00 0.82 H new ATOM 0 HB2 HIS A 209 10.473 -1.967 -4.423 1.00 1.02 H new ATOM 0 HB3 HIS A 209 9.758 -2.308 -5.986 1.00 1.02 H new ATOM 0 HD2 HIS A 209 13.214 -2.949 -4.183 1.00 1.41 H new ATOM 0 HE1 HIS A 209 12.533 -5.945 -7.091 1.00 1.54 H new ATOM 0 HE2 HIS A 209 14.105 -5.181 -5.228 1.00 1.55 H new ATOM 2401 N VAL A 210 12.272 -0.427 -8.185 1.00 1.14 N ATOM 2402 CA VAL A 210 12.314 -0.383 -9.636 1.00 1.45 C ATOM 2403 C VAL A 210 13.029 -1.611 -10.168 1.00 1.58 C ATOM 2404 O VAL A 210 14.260 -1.657 -10.202 1.00 1.82 O ATOM 2405 CB VAL A 210 13.025 0.887 -10.158 1.00 1.92 C ATOM 2406 CG1 VAL A 210 12.976 0.956 -11.678 1.00 2.56 C ATOM 2407 CG2 VAL A 210 12.410 2.136 -9.549 1.00 2.44 C ATOM 0 H VAL A 210 13.154 -0.198 -7.728 1.00 1.14 H new ATOM 0 HA VAL A 210 11.284 -0.362 -9.991 1.00 1.45 H new ATOM 0 HB VAL A 210 14.071 0.833 -9.855 1.00 1.92 H new ATOM 0 HG11 VAL A 210 13.483 1.859 -12.018 1.00 2.56 H new ATOM 0 HG12 VAL A 210 13.472 0.081 -12.098 1.00 2.56 H new ATOM 0 HG13 VAL A 210 11.937 0.977 -12.008 1.00 2.56 H new ATOM 0 HG21 VAL A 210 12.925 3.018 -9.930 1.00 2.44 H new ATOM 0 HG22 VAL A 210 11.354 2.189 -9.816 1.00 2.44 H new ATOM 0 HG23 VAL A 210 12.509 2.098 -8.464 1.00 2.44 H new