USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 GLN : amide:sc= -0.228 K(o=-0.23,f=-1.5!) USER MOD Set 1.2: A 193 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 167 SER OG : rot 180:sc= 1.03 USER MOD Set 2.2: A 170 LYS NZ :NH3+ -151:sc= 1.19 (180deg=-0.0826) USER MOD Single : A 89 SER OG : rot 48:sc= 1.6 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -132:sc= -0.974 (180deg=-2.17!) USER MOD Single : A 103 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.482) USER MOD Single : A 104 MET CE :methyl -161:sc= -2.95! (180deg=-4.09) USER MOD Single : A 113 CYS SG : rot 33:sc= 0.171 USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot 131:sc= -1.45! USER MOD Single : A 177 SER OG : rot 125:sc= 1.23 USER MOD Single : A 178 CYS SG : rot -32:sc= 0.0462 USER MOD Single : A 181 GLN : amide:sc= -2.18 K(o=-2.2,f=-6.2!) USER MOD Single : A 182 ASN : amide:sc= -7.38! C(o=-7.4!,f=-10!) USER MOD Single : A 184 THR OG1 : rot 5:sc= 0.562 USER MOD Single : A 185 MET CE :methyl 172:sc= -1.66 (180deg=-2.21) USER MOD Single : A 186 CYS SG : rot 180:sc= -0.138 USER MOD Single : A 187 GLN : amide:sc= -2.52! C(o=-2.5!,f=-2.8!) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -170:sc=-0.00586 (180deg=-0.102) USER MOD Single : A 198 LYS NZ :NH3+ -145:sc= 0.346 (180deg=-0.0129) USER MOD Single : A 209 HIS :FLIP no HD1:sc= 0 F(o=-0.56,f=0) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -8.135 5.646 4.678 1.00 1.90 N ATOM 389 CA ILE A 78 -7.257 4.540 5.015 1.00 1.74 C ATOM 390 C ILE A 78 -6.386 4.906 6.210 1.00 1.48 C ATOM 391 O ILE A 78 -5.761 5.966 6.222 1.00 1.42 O ATOM 392 CB ILE A 78 -6.354 4.172 3.814 1.00 1.86 C ATOM 393 CG1 ILE A 78 -7.211 3.826 2.593 1.00 2.18 C ATOM 394 CG2 ILE A 78 -5.430 3.012 4.165 1.00 1.84 C ATOM 395 CD1 ILE A 78 -6.405 3.545 1.342 1.00 2.45 C ATOM 0 HA ILE A 78 -7.877 3.680 5.267 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.735 5.036 3.573 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.822 2.953 2.825 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.896 4.651 2.396 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.805 2.772 3.305 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.797 3.293 5.006 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -6.026 2.141 4.435 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -7.080 3.308 0.520 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.815 4.424 1.084 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.739 2.700 1.520 1.00 2.45 H new ATOM 407 N PRO A 79 -6.360 4.053 7.246 1.00 1.44 N ATOM 408 CA PRO A 79 -5.517 4.273 8.421 1.00 1.27 C ATOM 409 C PRO A 79 -4.037 4.257 8.060 1.00 1.11 C ATOM 410 O PRO A 79 -3.553 3.324 7.411 1.00 1.23 O ATOM 411 CB PRO A 79 -5.859 3.101 9.348 1.00 1.50 C ATOM 412 CG PRO A 79 -6.470 2.069 8.464 1.00 1.75 C ATOM 413 CD PRO A 79 -7.156 2.819 7.359 1.00 1.70 C ATOM 0 HA PRO A 79 -5.698 5.246 8.879 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.967 2.717 9.843 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -6.551 3.408 10.132 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -5.709 1.398 8.065 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.180 1.454 9.017 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -7.156 2.253 6.428 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -8.197 3.032 7.602 1.00 1.70 H new ATOM 421 N ILE A 80 -3.330 5.303 8.463 1.00 0.93 N ATOM 422 CA ILE A 80 -1.908 5.432 8.185 1.00 0.82 C ATOM 423 C ILE A 80 -1.157 5.767 9.467 1.00 0.72 C ATOM 424 O ILE A 80 -1.731 6.358 10.385 1.00 0.74 O ATOM 425 CB ILE A 80 -1.605 6.527 7.121 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.978 7.933 7.625 1.00 0.89 C ATOM 427 CG2 ILE A 80 -2.333 6.225 5.820 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.463 8.235 7.609 1.00 0.99 C ATOM 0 H ILE A 80 -3.724 6.083 8.990 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.576 4.474 7.784 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.530 6.514 6.938 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.608 8.050 8.644 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.463 8.673 7.012 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -2.109 7.002 5.089 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -2.005 5.259 5.436 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -3.407 6.198 6.002 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.633 9.246 7.980 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.840 8.155 6.589 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.986 7.522 8.246 1.00 0.99 H new ATOM 440 N PRO A 81 0.122 5.368 9.563 1.00 0.68 N ATOM 441 CA PRO A 81 0.977 5.727 10.697 1.00 0.67 C ATOM 442 C PRO A 81 1.136 7.239 10.812 1.00 0.64 C ATOM 443 O PRO A 81 1.296 7.936 9.808 1.00 0.61 O ATOM 444 CB PRO A 81 2.321 5.064 10.373 1.00 0.69 C ATOM 445 CG PRO A 81 1.995 4.000 9.384 1.00 0.71 C ATOM 446 CD PRO A 81 0.832 4.523 8.591 1.00 0.73 C ATOM 0 HA PRO A 81 0.561 5.398 11.649 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.027 5.784 9.960 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.780 4.644 11.268 1.00 0.69 H new ATOM 0 HG2 PRO A 81 2.848 3.792 8.737 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.739 3.066 9.884 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.160 5.095 7.723 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.200 3.716 8.221 1.00 0.73 H new ATOM 454 N ALA A 82 1.110 7.737 12.042 1.00 0.75 N ATOM 455 CA ALA A 82 1.089 9.173 12.303 1.00 0.80 C ATOM 456 C ALA A 82 2.392 9.862 11.904 1.00 0.71 C ATOM 457 O ALA A 82 2.474 11.086 11.919 1.00 0.78 O ATOM 458 CB ALA A 82 0.787 9.427 13.769 1.00 1.04 C ATOM 0 H ALA A 82 1.103 7.161 12.884 1.00 0.75 H new ATOM 0 HA ALA A 82 0.301 9.603 11.684 1.00 0.80 H new ATOM 0 HB1 ALA A 82 0.773 10.501 13.957 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -0.185 9.002 14.019 1.00 1.04 H new ATOM 0 HB3 ALA A 82 1.556 8.961 14.385 1.00 1.04 H new ATOM 464 N ASP A 83 3.399 9.078 11.536 1.00 0.67 N ATOM 465 CA ASP A 83 4.694 9.624 11.118 1.00 0.70 C ATOM 466 C ASP A 83 4.656 10.109 9.667 1.00 0.55 C ATOM 467 O ASP A 83 5.578 10.781 9.204 1.00 0.60 O ATOM 468 CB ASP A 83 5.788 8.562 11.269 1.00 0.88 C ATOM 469 CG ASP A 83 6.803 8.902 12.344 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.440 8.876 13.535 1.00 1.39 O ATOM 471 OD2 ASP A 83 7.966 9.211 12.002 1.00 1.66 O ATOM 0 H ASP A 83 3.348 8.059 11.517 1.00 0.67 H new ATOM 0 HA ASP A 83 4.915 10.476 11.761 1.00 0.70 H new ATOM 0 HB2 ASP A 83 5.326 7.603 11.504 1.00 0.88 H new ATOM 0 HB3 ASP A 83 6.303 8.442 10.316 1.00 0.88 H new ATOM 476 N PHE A 84 3.573 9.795 8.961 1.00 0.45 N ATOM 477 CA PHE A 84 3.476 10.089 7.530 1.00 0.41 C ATOM 478 C PHE A 84 2.072 10.569 7.205 1.00 0.40 C ATOM 479 O PHE A 84 1.112 10.153 7.847 1.00 0.56 O ATOM 480 CB PHE A 84 3.802 8.848 6.683 1.00 0.42 C ATOM 481 CG PHE A 84 4.967 8.053 7.201 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.764 6.941 7.999 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.264 8.417 6.881 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.835 6.203 8.462 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.340 7.687 7.344 1.00 0.98 C ATOM 486 CZ PHE A 84 7.112 6.588 8.179 1.00 1.00 C ATOM 0 H PHE A 84 2.750 9.338 9.354 1.00 0.45 H new ATOM 0 HA PHE A 84 4.202 10.866 7.291 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.923 8.205 6.644 1.00 0.42 H new ATOM 0 HB3 PHE A 84 4.013 9.162 5.661 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.758 6.648 8.262 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.436 9.284 6.261 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.660 5.315 9.052 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.347 7.961 7.065 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.946 6.045 8.599 1.00 1.00 H new ATOM 496 N GLU A 85 1.946 11.467 6.244 1.00 0.39 N ATOM 497 CA GLU A 85 0.637 11.970 5.860 1.00 0.44 C ATOM 498 C GLU A 85 0.287 11.548 4.440 1.00 0.39 C ATOM 499 O GLU A 85 1.111 11.639 3.531 1.00 0.40 O ATOM 500 CB GLU A 85 0.571 13.495 5.988 1.00 0.61 C ATOM 501 CG GLU A 85 1.578 14.239 5.130 1.00 1.15 C ATOM 502 CD GLU A 85 1.488 15.740 5.298 1.00 1.60 C ATOM 503 OE1 GLU A 85 2.309 16.311 6.043 1.00 1.88 O ATOM 504 OE2 GLU A 85 0.587 16.355 4.691 1.00 2.27 O ATOM 0 H GLU A 85 2.726 11.861 5.718 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.094 11.536 6.542 1.00 0.44 H new ATOM 0 HB2 GLU A 85 -0.432 13.827 5.720 1.00 0.61 H new ATOM 0 HB3 GLU A 85 0.729 13.767 7.032 1.00 0.61 H new ATOM 0 HG2 GLU A 85 2.584 13.908 5.387 1.00 1.15 H new ATOM 0 HG3 GLU A 85 1.416 13.984 4.083 1.00 1.15 H new ATOM 511 N LEU A 86 -0.936 11.092 4.256 1.00 0.41 N ATOM 512 CA LEU A 86 -1.420 10.716 2.944 1.00 0.43 C ATOM 513 C LEU A 86 -2.296 11.835 2.421 1.00 0.44 C ATOM 514 O LEU A 86 -3.189 12.319 3.121 1.00 0.48 O ATOM 515 CB LEU A 86 -2.192 9.391 3.008 1.00 0.52 C ATOM 516 CG LEU A 86 -2.466 8.714 1.656 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.746 7.240 1.858 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.637 9.366 0.934 1.00 0.70 C ATOM 0 H LEU A 86 -1.617 10.973 5.006 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.580 10.564 2.267 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.633 8.696 3.635 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.146 9.571 3.503 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.576 8.834 1.038 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -2.939 6.771 0.893 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -1.883 6.766 2.326 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.618 7.120 2.501 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.803 8.863 -0.018 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.534 9.285 1.548 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.414 10.418 0.754 1.00 0.70 H new ATOM 530 N ARG A 87 -2.017 12.249 1.205 1.00 0.47 N ATOM 531 CA ARG A 87 -2.699 13.376 0.607 1.00 0.55 C ATOM 532 C ARG A 87 -2.501 13.357 -0.899 1.00 0.61 C ATOM 533 O ARG A 87 -1.492 12.841 -1.387 1.00 0.66 O ATOM 534 CB ARG A 87 -2.145 14.678 1.190 1.00 0.62 C ATOM 535 CG ARG A 87 -0.650 14.850 0.990 1.00 0.69 C ATOM 536 CD ARG A 87 -0.245 16.316 1.002 1.00 1.04 C ATOM 537 NE ARG A 87 -0.485 16.948 2.299 1.00 1.63 N ATOM 538 CZ ARG A 87 -1.270 18.009 2.484 1.00 2.32 C ATOM 539 NH1 ARG A 87 -1.931 18.543 1.463 1.00 2.62 N ATOM 540 NH2 ARG A 87 -1.393 18.534 3.695 1.00 3.21 N ATOM 0 H ARG A 87 -1.315 11.817 0.605 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.765 13.310 0.825 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -2.663 15.520 0.731 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -2.366 14.711 2.257 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -0.114 14.318 1.776 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -0.355 14.399 0.042 1.00 0.69 H new ATOM 0 HD2 ARG A 87 0.812 16.401 0.749 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -0.801 16.850 0.232 1.00 1.04 H new ATOM 0 HE ARG A 87 -0.021 16.551 3.116 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -1.840 18.141 0.530 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -2.530 19.355 1.612 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -0.888 18.126 4.481 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -1.993 19.346 3.840 1.00 3.21 H new ATOM 554 N GLU A 88 -3.463 13.886 -1.636 1.00 0.73 N ATOM 555 CA GLU A 88 -3.293 14.034 -3.064 1.00 0.84 C ATOM 556 C GLU A 88 -2.516 15.310 -3.340 1.00 0.87 C ATOM 557 O GLU A 88 -3.016 16.418 -3.132 1.00 0.98 O ATOM 558 CB GLU A 88 -4.634 14.085 -3.790 1.00 1.06 C ATOM 559 CG GLU A 88 -4.475 14.077 -5.303 1.00 1.61 C ATOM 560 CD GLU A 88 -5.641 14.708 -6.021 1.00 1.96 C ATOM 561 OE1 GLU A 88 -5.646 15.945 -6.194 1.00 2.46 O ATOM 562 OE2 GLU A 88 -6.567 13.967 -6.410 1.00 2.21 O ATOM 0 H GLU A 88 -4.357 14.215 -1.272 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.747 13.167 -3.436 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.241 13.232 -3.487 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.173 14.983 -3.489 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -3.561 14.608 -5.570 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -4.358 13.049 -5.645 1.00 1.61 H new ATOM 569 N SER A 89 -1.301 15.148 -3.813 1.00 0.85 N ATOM 570 CA SER A 89 -0.450 16.273 -4.132 1.00 0.95 C ATOM 571 C SER A 89 0.467 15.900 -5.280 1.00 0.90 C ATOM 572 O SER A 89 1.547 15.351 -5.064 1.00 1.11 O ATOM 573 CB SER A 89 0.363 16.669 -2.900 1.00 1.03 C ATOM 574 OG SER A 89 1.028 15.540 -2.357 1.00 1.58 O ATOM 0 H SER A 89 -0.876 14.237 -3.987 1.00 0.85 H new ATOM 0 HA SER A 89 -1.061 17.125 -4.432 1.00 0.95 H new ATOM 0 HB2 SER A 89 1.092 17.433 -3.169 1.00 1.03 H new ATOM 0 HB3 SER A 89 -0.295 17.107 -2.149 1.00 1.03 H new ATOM 0 HG SER A 89 1.475 15.047 -3.076 1.00 1.58 H new ATOM 580 N SER A 90 0.022 16.160 -6.498 1.00 0.86 N ATOM 581 CA SER A 90 0.783 15.776 -7.670 1.00 0.88 C ATOM 582 C SER A 90 2.061 16.597 -7.778 1.00 0.87 C ATOM 583 O SER A 90 2.036 17.774 -8.144 1.00 1.02 O ATOM 584 CB SER A 90 -0.069 15.940 -8.929 1.00 1.13 C ATOM 585 OG SER A 90 -1.223 15.116 -8.869 1.00 1.86 O ATOM 0 H SER A 90 -0.859 16.634 -6.698 1.00 0.86 H new ATOM 0 HA SER A 90 1.063 14.727 -7.571 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.367 16.983 -9.038 1.00 1.13 H new ATOM 0 HB3 SER A 90 0.521 15.683 -9.809 1.00 1.13 H new ATOM 0 HG SER A 90 -1.755 15.238 -9.683 1.00 1.86 H new ATOM 591 N ILE A 91 3.175 15.970 -7.437 1.00 0.86 N ATOM 592 CA ILE A 91 4.477 16.585 -7.596 1.00 1.01 C ATOM 593 C ILE A 91 5.079 16.149 -8.931 1.00 1.09 C ATOM 594 O ILE A 91 5.254 14.951 -9.187 1.00 1.08 O ATOM 595 CB ILE A 91 5.413 16.251 -6.393 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.817 16.864 -6.571 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.503 14.750 -6.161 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.812 15.984 -7.306 1.00 1.45 C ATOM 0 H ILE A 91 3.200 15.028 -7.046 1.00 0.86 H new ATOM 0 HA ILE A 91 4.365 17.669 -7.604 1.00 1.01 H new ATOM 0 HB ILE A 91 4.967 16.704 -5.507 1.00 1.10 H new ATOM 0 HG12 ILE A 91 6.720 17.806 -7.110 1.00 1.35 H new ATOM 0 HG13 ILE A 91 7.221 17.100 -5.587 1.00 1.35 H new ATOM 0 HG21 ILE A 91 6.163 14.551 -5.316 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.510 14.355 -5.947 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.901 14.267 -7.053 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.769 16.501 -7.381 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.946 15.051 -6.759 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.437 15.768 -8.306 1.00 1.45 H new ATOM 610 N PRO A 92 5.343 17.120 -9.821 1.00 1.24 N ATOM 611 CA PRO A 92 5.896 16.860 -11.155 1.00 1.37 C ATOM 612 C PRO A 92 7.158 16.011 -11.106 1.00 1.47 C ATOM 613 O PRO A 92 8.141 16.383 -10.469 1.00 1.61 O ATOM 614 CB PRO A 92 6.218 18.257 -11.689 1.00 1.58 C ATOM 615 CG PRO A 92 5.287 19.159 -10.963 1.00 1.59 C ATOM 616 CD PRO A 92 5.111 18.560 -9.598 1.00 1.37 C ATOM 0 HA PRO A 92 5.199 16.300 -11.778 1.00 1.37 H new ATOM 0 HB2 PRO A 92 7.258 18.524 -11.499 1.00 1.58 H new ATOM 0 HB3 PRO A 92 6.066 18.314 -12.767 1.00 1.58 H new ATOM 0 HG2 PRO A 92 5.694 20.168 -10.897 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.332 19.234 -11.482 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.821 18.975 -8.883 1.00 1.37 H new ATOM 0 HD3 PRO A 92 4.113 18.749 -9.202 1.00 1.37 H new ATOM 624 N GLY A 93 7.118 14.867 -11.771 1.00 1.47 N ATOM 625 CA GLY A 93 8.252 13.972 -11.774 1.00 1.62 C ATOM 626 C GLY A 93 8.004 12.725 -10.951 1.00 1.58 C ATOM 627 O GLY A 93 8.733 11.741 -11.071 1.00 1.74 O ATOM 0 H GLY A 93 6.316 14.543 -12.311 1.00 1.47 H new ATOM 0 HA2 GLY A 93 8.484 13.687 -12.800 1.00 1.62 H new ATOM 0 HA3 GLY A 93 9.125 14.495 -11.383 1.00 1.62 H new ATOM 631 N ALA A 94 6.981 12.762 -10.104 1.00 1.40 N ATOM 632 CA ALA A 94 6.617 11.595 -9.312 1.00 1.40 C ATOM 633 C ALA A 94 5.107 11.376 -9.305 1.00 1.27 C ATOM 634 O ALA A 94 4.607 10.446 -9.935 1.00 1.38 O ATOM 635 CB ALA A 94 7.152 11.714 -7.893 1.00 1.41 C ATOM 0 H ALA A 94 6.394 13.581 -9.949 1.00 1.40 H new ATOM 0 HA ALA A 94 7.077 10.723 -9.778 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.867 10.831 -7.321 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.239 11.794 -7.919 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.734 12.603 -7.420 1.00 1.41 H new ATOM 641 N GLY A 95 4.384 12.243 -8.616 1.00 1.09 N ATOM 642 CA GLY A 95 2.952 12.094 -8.509 1.00 1.02 C ATOM 643 C GLY A 95 2.471 12.265 -7.087 1.00 0.91 C ATOM 644 O GLY A 95 2.782 13.263 -6.449 1.00 1.02 O ATOM 0 H GLY A 95 4.767 13.052 -8.127 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.462 12.828 -9.148 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.661 11.109 -8.874 1.00 1.02 H new ATOM 648 N LEU A 96 1.703 11.301 -6.599 1.00 0.79 N ATOM 649 CA LEU A 96 1.212 11.335 -5.225 1.00 0.70 C ATOM 650 C LEU A 96 2.093 10.483 -4.323 1.00 0.65 C ATOM 651 O LEU A 96 2.631 9.468 -4.759 1.00 0.99 O ATOM 652 CB LEU A 96 -0.221 10.808 -5.175 1.00 0.77 C ATOM 653 CG LEU A 96 -1.107 11.273 -6.323 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.462 10.586 -6.267 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.270 12.780 -6.283 1.00 2.31 C ATOM 0 H LEU A 96 1.405 10.485 -7.133 1.00 0.79 H new ATOM 0 HA LEU A 96 1.237 12.367 -4.874 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.194 9.718 -5.173 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -0.676 11.118 -4.234 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.627 11.001 -7.263 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -3.080 10.932 -7.096 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -2.326 9.507 -6.341 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -2.953 10.826 -5.324 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -1.906 13.099 -7.109 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.729 13.071 -5.338 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -0.293 13.254 -6.373 1.00 2.31 H new ATOM 667 N GLY A 97 2.225 10.892 -3.071 1.00 0.59 N ATOM 668 CA GLY A 97 3.003 10.133 -2.113 1.00 0.57 C ATOM 669 C GLY A 97 2.603 10.457 -0.689 1.00 0.52 C ATOM 670 O GLY A 97 1.814 11.378 -0.459 1.00 0.55 O ATOM 0 H GLY A 97 1.804 11.743 -2.698 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.867 9.067 -2.296 1.00 0.57 H new ATOM 0 HA3 GLY A 97 4.063 10.348 -2.252 1.00 0.57 H new ATOM 674 N VAL A 98 3.121 9.699 0.267 1.00 0.48 N ATOM 675 CA VAL A 98 2.846 9.966 1.668 1.00 0.46 C ATOM 676 C VAL A 98 4.010 10.730 2.293 1.00 0.47 C ATOM 677 O VAL A 98 5.109 10.202 2.462 1.00 0.67 O ATOM 678 CB VAL A 98 2.540 8.675 2.474 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.262 8.028 1.966 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.690 7.678 2.413 1.00 0.53 C ATOM 0 H VAL A 98 3.731 8.899 0.098 1.00 0.48 H new ATOM 0 HA VAL A 98 1.946 10.580 1.711 1.00 0.46 H new ATOM 0 HB VAL A 98 2.410 8.965 3.517 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.059 7.124 2.540 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.431 8.724 2.080 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.378 7.771 0.913 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.433 6.790 2.990 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.873 7.396 1.376 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.589 8.133 2.829 1.00 0.53 H new ATOM 690 N TRP A 99 3.760 11.981 2.636 1.00 0.38 N ATOM 691 CA TRP A 99 4.814 12.867 3.100 1.00 0.39 C ATOM 692 C TRP A 99 5.097 12.624 4.569 1.00 0.35 C ATOM 693 O TRP A 99 4.193 12.669 5.399 1.00 0.38 O ATOM 694 CB TRP A 99 4.414 14.331 2.895 1.00 0.44 C ATOM 695 CG TRP A 99 3.993 14.658 1.496 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.733 14.565 0.978 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.827 15.142 0.437 1.00 0.62 C ATOM 698 NE1 TRP A 99 2.737 14.953 -0.338 1.00 0.69 N ATOM 699 CE2 TRP A 99 4.009 15.310 -0.694 1.00 0.66 C ATOM 700 CE3 TRP A 99 6.189 15.445 0.334 1.00 0.88 C ATOM 701 CZ2 TRP A 99 4.503 15.770 -1.912 1.00 0.82 C ATOM 702 CZ3 TRP A 99 6.678 15.901 -0.876 1.00 1.13 C ATOM 703 CH2 TRP A 99 5.838 16.060 -1.984 1.00 1.06 C ATOM 0 H TRP A 99 2.834 12.408 2.602 1.00 0.38 H new ATOM 0 HA TRP A 99 5.713 12.658 2.520 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.597 14.572 3.575 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.255 14.968 3.169 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.862 14.235 1.524 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.923 14.972 -0.952 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.845 15.325 1.183 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 3.856 15.893 -2.768 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 7.727 16.139 -0.968 1.00 1.13 H new ATOM 0 HH2 TRP A 99 6.252 16.419 -2.915 1.00 1.06 H new ATOM 714 N ALA A 100 6.344 12.337 4.888 1.00 0.39 N ATOM 715 CA ALA A 100 6.740 12.195 6.271 1.00 0.42 C ATOM 716 C ALA A 100 6.685 13.551 6.959 1.00 0.43 C ATOM 717 O ALA A 100 7.424 14.465 6.596 1.00 0.49 O ATOM 718 CB ALA A 100 8.140 11.603 6.366 1.00 0.54 C ATOM 0 H ALA A 100 7.095 12.199 4.211 1.00 0.39 H new ATOM 0 HA ALA A 100 6.051 11.515 6.771 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.422 11.503 7.414 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.153 10.622 5.891 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.848 12.260 5.861 1.00 0.54 H new ATOM 724 N LYS A 101 5.787 13.689 7.930 1.00 0.47 N ATOM 725 CA LYS A 101 5.682 14.923 8.695 1.00 0.57 C ATOM 726 C LYS A 101 6.722 14.927 9.806 1.00 0.56 C ATOM 727 O LYS A 101 6.942 15.937 10.474 1.00 0.63 O ATOM 728 CB LYS A 101 4.282 15.080 9.294 1.00 0.69 C ATOM 729 CG LYS A 101 3.920 13.991 10.294 1.00 1.17 C ATOM 730 CD LYS A 101 2.981 12.957 9.699 1.00 0.84 C ATOM 731 CE LYS A 101 1.604 13.534 9.461 1.00 0.88 C ATOM 732 NZ LYS A 101 0.578 12.493 9.193 1.00 1.68 N ATOM 0 H LYS A 101 5.125 12.963 8.204 1.00 0.47 H new ATOM 0 HA LYS A 101 5.862 15.762 8.022 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.213 16.050 9.786 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.549 15.079 8.487 1.00 0.69 H new ATOM 0 HG2 LYS A 101 4.830 13.498 10.638 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.453 14.444 11.169 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.391 12.590 8.758 1.00 0.84 H new ATOM 0 HD3 LYS A 101 2.907 12.101 10.370 1.00 0.84 H new ATOM 0 HE2 LYS A 101 1.304 14.116 10.332 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.645 14.222 8.617 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.023 12.760 8.355 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.046 11.580 9.022 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 -0.054 12.409 10.015 1.00 1.68 H new ATOM 746 N ARG A 102 7.356 13.785 9.989 1.00 0.54 N ATOM 747 CA ARG A 102 8.377 13.619 11.002 1.00 0.58 C ATOM 748 C ARG A 102 9.648 13.106 10.339 1.00 0.54 C ATOM 749 O ARG A 102 9.609 12.611 9.213 1.00 0.54 O ATOM 750 CB ARG A 102 7.891 12.639 12.073 1.00 0.72 C ATOM 751 CG ARG A 102 8.857 12.456 13.234 1.00 0.83 C ATOM 752 CD ARG A 102 8.354 11.398 14.192 1.00 1.16 C ATOM 753 NE ARG A 102 9.310 11.094 15.255 1.00 1.80 N ATOM 754 CZ ARG A 102 9.345 9.926 15.900 1.00 2.52 C ATOM 755 NH1 ARG A 102 8.497 8.959 15.567 1.00 2.75 N ATOM 756 NH2 ARG A 102 10.233 9.723 16.868 1.00 3.50 N ATOM 0 H ARG A 102 7.176 12.946 9.438 1.00 0.54 H new ATOM 0 HA ARG A 102 8.585 14.574 11.484 1.00 0.58 H new ATOM 0 HB2 ARG A 102 6.935 12.988 12.462 1.00 0.72 H new ATOM 0 HB3 ARG A 102 7.711 11.670 11.608 1.00 0.72 H new ATOM 0 HG2 ARG A 102 9.839 12.172 12.855 1.00 0.83 H new ATOM 0 HG3 ARG A 102 8.981 13.401 13.762 1.00 0.83 H new ATOM 0 HD2 ARG A 102 7.417 11.734 14.637 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.134 10.487 13.636 1.00 1.16 H new ATOM 0 HE ARG A 102 9.986 11.812 15.518 1.00 1.80 H new ATOM 0 HH11 ARG A 102 7.820 9.110 14.819 1.00 2.75 H new ATOM 0 HH12 ARG A 102 8.523 8.066 16.059 1.00 2.75 H new ATOM 0 HH21 ARG A 102 10.890 10.461 17.120 1.00 3.50 H new ATOM 0 HH22 ARG A 102 10.257 8.829 17.359 1.00 3.50 H new ATOM 770 N LYS A 103 10.764 13.234 11.029 1.00 0.59 N ATOM 771 CA LYS A 103 12.047 12.862 10.476 1.00 0.63 C ATOM 772 C LYS A 103 12.384 11.415 10.808 1.00 0.68 C ATOM 773 O LYS A 103 11.833 10.837 11.745 1.00 0.82 O ATOM 774 CB LYS A 103 13.132 13.811 10.998 1.00 0.73 C ATOM 775 CG LYS A 103 12.965 14.215 12.461 1.00 0.98 C ATOM 776 CD LYS A 103 12.991 13.018 13.399 1.00 1.17 C ATOM 777 CE LYS A 103 14.395 12.448 13.556 1.00 2.05 C ATOM 778 NZ LYS A 103 15.343 13.439 14.124 1.00 2.40 N ATOM 0 H LYS A 103 10.805 13.596 11.982 1.00 0.59 H new ATOM 0 HA LYS A 103 11.999 12.948 9.390 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.105 13.335 10.874 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.137 14.711 10.383 1.00 0.73 H new ATOM 0 HG2 LYS A 103 13.761 14.907 12.737 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.022 14.748 12.583 1.00 0.98 H new ATOM 0 HD2 LYS A 103 12.608 13.314 14.376 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.326 12.244 13.017 1.00 1.17 H new ATOM 0 HE2 LYS A 103 14.359 11.571 14.202 1.00 2.05 H new ATOM 0 HE3 LYS A 103 14.760 12.114 12.585 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 16.173 12.944 14.510 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 15.648 14.096 13.377 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 14.874 13.972 14.884 1.00 2.40 H new ATOM 792 N MET A 104 13.273 10.831 10.031 1.00 0.73 N ATOM 793 CA MET A 104 13.746 9.483 10.286 1.00 0.83 C ATOM 794 C MET A 104 15.254 9.447 10.124 1.00 0.87 C ATOM 795 O MET A 104 15.811 10.275 9.407 1.00 0.93 O ATOM 796 CB MET A 104 13.077 8.488 9.337 1.00 0.85 C ATOM 797 CG MET A 104 11.608 8.243 9.643 1.00 0.97 C ATOM 798 SD MET A 104 10.805 7.181 8.427 1.00 1.22 S ATOM 799 CE MET A 104 10.912 8.222 6.974 1.00 0.92 C ATOM 0 H MET A 104 13.687 11.273 9.210 1.00 0.73 H new ATOM 0 HA MET A 104 13.486 9.196 11.305 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.169 8.856 8.315 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.612 7.539 9.384 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.519 7.789 10.630 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.086 9.199 9.684 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.188 7.886 6.232 1.00 0.92 H new ATOM 0 HE2 MET A 104 10.697 9.255 7.250 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.916 8.160 6.555 1.00 0.92 H new ATOM 809 N GLU A 105 15.912 8.534 10.818 1.00 0.90 N ATOM 810 CA GLU A 105 17.355 8.393 10.698 1.00 0.93 C ATOM 811 C GLU A 105 17.709 7.062 10.048 1.00 0.89 C ATOM 812 O GLU A 105 17.009 6.064 10.249 1.00 1.13 O ATOM 813 CB GLU A 105 18.038 8.542 12.058 1.00 1.08 C ATOM 814 CG GLU A 105 17.435 7.700 13.168 1.00 1.64 C ATOM 815 CD GLU A 105 18.160 7.892 14.484 1.00 1.94 C ATOM 816 OE1 GLU A 105 18.106 9.008 15.042 1.00 2.25 O ATOM 817 OE2 GLU A 105 18.794 6.931 14.965 1.00 2.31 O ATOM 0 H GLU A 105 15.473 7.882 11.468 1.00 0.90 H new ATOM 0 HA GLU A 105 17.723 9.193 10.056 1.00 0.93 H new ATOM 0 HB2 GLU A 105 19.090 8.278 11.951 1.00 1.08 H new ATOM 0 HB3 GLU A 105 18.001 9.590 12.355 1.00 1.08 H new ATOM 0 HG2 GLU A 105 16.384 7.962 13.292 1.00 1.64 H new ATOM 0 HG3 GLU A 105 17.470 6.648 12.885 1.00 1.64 H new ATOM 824 N ALA A 106 18.815 7.072 9.296 1.00 0.78 N ATOM 825 CA ALA A 106 19.218 5.958 8.433 1.00 0.78 C ATOM 826 C ALA A 106 19.042 4.599 9.096 1.00 0.76 C ATOM 827 O ALA A 106 19.583 4.336 10.176 1.00 0.78 O ATOM 828 CB ALA A 106 20.659 6.141 7.989 1.00 0.84 C ATOM 0 H ALA A 106 19.461 7.861 9.270 1.00 0.78 H new ATOM 0 HA ALA A 106 18.557 5.972 7.566 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.951 5.309 7.348 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.753 7.076 7.436 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.308 6.170 8.864 1.00 0.84 H new ATOM 834 N GLY A 107 18.288 3.739 8.436 1.00 0.83 N ATOM 835 CA GLY A 107 18.009 2.422 8.966 1.00 0.91 C ATOM 836 C GLY A 107 16.534 2.243 9.234 1.00 0.87 C ATOM 837 O GLY A 107 16.108 1.246 9.828 1.00 1.04 O ATOM 0 H GLY A 107 17.859 3.932 7.531 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.348 1.664 8.260 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.570 2.272 9.889 1.00 0.91 H new ATOM 841 N GLU A 108 15.756 3.222 8.802 1.00 0.71 N ATOM 842 CA GLU A 108 14.325 3.225 9.015 1.00 0.74 C ATOM 843 C GLU A 108 13.611 2.408 7.938 1.00 0.61 C ATOM 844 O GLU A 108 14.134 2.189 6.842 1.00 0.61 O ATOM 845 CB GLU A 108 13.788 4.663 9.037 1.00 0.87 C ATOM 846 CG GLU A 108 13.977 5.430 7.733 1.00 0.85 C ATOM 847 CD GLU A 108 15.377 5.992 7.545 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.292 5.221 7.178 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.558 7.209 7.755 1.00 2.13 O ATOM 0 H GLU A 108 16.103 4.036 8.294 1.00 0.71 H new ATOM 0 HA GLU A 108 14.126 2.763 9.982 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.725 4.637 9.277 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.283 5.210 9.840 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.747 4.769 6.898 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.260 6.250 7.698 1.00 0.85 H new ATOM 856 N ARG A 109 12.412 1.959 8.266 1.00 0.63 N ATOM 857 CA ARG A 109 11.611 1.154 7.360 1.00 0.56 C ATOM 858 C ARG A 109 10.141 1.510 7.527 1.00 0.46 C ATOM 859 O ARG A 109 9.648 1.619 8.648 1.00 0.55 O ATOM 860 CB ARG A 109 11.869 -0.340 7.633 1.00 0.73 C ATOM 861 CG ARG A 109 10.895 -1.304 6.972 1.00 0.80 C ATOM 862 CD ARG A 109 9.675 -1.553 7.845 1.00 1.22 C ATOM 863 NE ARG A 109 10.030 -2.136 9.137 1.00 2.02 N ATOM 864 CZ ARG A 109 9.632 -1.652 10.314 1.00 2.71 C ATOM 865 NH1 ARG A 109 8.949 -0.515 10.378 1.00 2.91 N ATOM 866 NH2 ARG A 109 9.939 -2.294 11.430 1.00 3.62 N ATOM 0 H ARG A 109 11.967 2.141 9.166 1.00 0.63 H new ATOM 0 HA ARG A 109 11.891 1.360 6.327 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.877 -0.584 7.299 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.842 -0.505 8.710 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.579 -0.900 6.010 1.00 0.80 H new ATOM 0 HG3 ARG A 109 11.398 -2.250 6.771 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.147 -0.613 8.005 1.00 1.22 H new ATOM 0 HD3 ARG A 109 8.988 -2.220 7.324 1.00 1.22 H new ATOM 0 HE ARG A 109 10.621 -2.967 9.139 1.00 2.02 H new ATOM 0 HH11 ARG A 109 8.725 -0.006 9.523 1.00 2.91 H new ATOM 0 HH12 ARG A 109 8.648 -0.151 11.282 1.00 2.91 H new ATOM 0 HH21 ARG A 109 10.480 -3.158 11.389 1.00 3.62 H new ATOM 0 HH22 ARG A 109 9.635 -1.925 12.331 1.00 3.62 H new ATOM 880 N LEU A 110 9.442 1.695 6.417 1.00 0.38 N ATOM 881 CA LEU A 110 8.037 2.069 6.473 1.00 0.39 C ATOM 882 C LEU A 110 7.169 0.827 6.550 1.00 0.49 C ATOM 883 O LEU A 110 7.410 -0.155 5.845 1.00 0.53 O ATOM 884 CB LEU A 110 7.613 2.893 5.252 1.00 0.35 C ATOM 885 CG LEU A 110 8.522 4.055 4.848 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.742 5.039 3.994 1.00 0.39 C ATOM 887 CD2 LEU A 110 9.109 4.757 6.062 1.00 0.41 C ATOM 0 H LEU A 110 9.820 1.593 5.475 1.00 0.38 H new ATOM 0 HA LEU A 110 7.904 2.681 7.365 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.528 2.218 4.401 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.617 3.293 5.442 1.00 0.35 H new ATOM 0 HG LEU A 110 9.354 3.651 4.271 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.391 5.866 3.707 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.379 4.535 3.098 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.895 5.423 4.563 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.749 5.576 5.734 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.302 5.151 6.680 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.697 4.047 6.643 1.00 0.41 H new ATOM 899 N GLY A 111 6.162 0.877 7.401 1.00 0.61 N ATOM 900 CA GLY A 111 5.261 -0.239 7.549 1.00 0.77 C ATOM 901 C GLY A 111 4.076 0.118 8.414 1.00 0.88 C ATOM 902 O GLY A 111 4.056 1.191 9.018 1.00 1.02 O ATOM 0 H GLY A 111 5.952 1.678 7.997 1.00 0.61 H new ATOM 0 HA2 GLY A 111 4.913 -0.560 6.567 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.793 -1.082 7.989 1.00 0.77 H new ATOM 906 N PRO A 112 3.067 -0.756 8.490 1.00 1.23 N ATOM 907 CA PRO A 112 3.040 -2.010 7.747 1.00 1.24 C ATOM 908 C PRO A 112 2.415 -1.855 6.361 1.00 1.05 C ATOM 909 O PRO A 112 1.545 -1.006 6.147 1.00 1.19 O ATOM 910 CB PRO A 112 2.172 -2.898 8.637 1.00 1.78 C ATOM 911 CG PRO A 112 1.217 -1.963 9.309 1.00 2.10 C ATOM 912 CD PRO A 112 1.869 -0.596 9.331 1.00 1.83 C ATOM 0 HA PRO A 112 4.037 -2.406 7.554 1.00 1.24 H new ATOM 0 HB2 PRO A 112 1.642 -3.647 8.049 1.00 1.78 H new ATOM 0 HB3 PRO A 112 2.777 -3.435 9.367 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.270 -1.929 8.771 1.00 2.10 H new ATOM 0 HG3 PRO A 112 0.997 -2.300 10.322 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.203 0.170 8.934 1.00 1.83 H new ATOM 0 HD3 PRO A 112 2.131 -0.296 10.345 1.00 1.83 H new ATOM 920 N CYS A 113 2.890 -2.654 5.412 1.00 1.00 N ATOM 921 CA CYS A 113 2.277 -2.714 4.094 1.00 1.00 C ATOM 922 C CYS A 113 1.394 -3.948 4.016 1.00 1.17 C ATOM 923 O CYS A 113 0.174 -3.854 3.947 1.00 1.67 O ATOM 924 CB CYS A 113 3.335 -2.762 2.987 1.00 1.05 C ATOM 925 SG CYS A 113 2.658 -2.548 1.324 1.00 2.00 S ATOM 0 H CYS A 113 3.696 -3.267 5.532 1.00 1.00 H new ATOM 0 HA CYS A 113 1.681 -1.813 3.946 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.076 -1.984 3.171 1.00 1.05 H new ATOM 0 HB3 CYS A 113 3.857 -3.718 3.037 1.00 1.05 H new ATOM 0 HG CYS A 113 1.628 -1.757 1.373 1.00 2.00 H new ATOM 1692 N GLY A 166 -2.149 -0.706 4.834 1.00 1.30 N ATOM 1693 CA GLY A 166 -1.066 -1.218 4.020 1.00 1.24 C ATOM 1694 C GLY A 166 -1.025 -0.603 2.638 1.00 1.03 C ATOM 1695 O GLY A 166 0.050 -0.427 2.060 1.00 1.05 O ATOM 0 HA2 GLY A 166 -0.118 -1.029 4.524 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -1.168 -2.299 3.928 1.00 1.24 H new ATOM 1699 N SER A 167 -2.193 -0.257 2.117 1.00 0.98 N ATOM 1700 CA SER A 167 -2.304 0.330 0.786 1.00 0.99 C ATOM 1701 C SER A 167 -1.638 1.708 0.727 1.00 0.78 C ATOM 1702 O SER A 167 -1.354 2.224 -0.349 1.00 0.86 O ATOM 1703 CB SER A 167 -3.780 0.435 0.387 1.00 1.17 C ATOM 1704 OG SER A 167 -3.924 0.847 -0.960 1.00 1.82 O ATOM 0 H SER A 167 -3.085 -0.373 2.599 1.00 0.98 H new ATOM 0 HA SER A 167 -1.785 -0.320 0.082 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.266 -0.531 0.527 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.286 1.145 1.042 1.00 1.17 H new ATOM 0 HG SER A 167 -4.876 0.903 -1.185 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.375 2.292 1.888 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.781 3.623 1.958 1.00 0.51 C ATOM 1712 C TRP A 168 0.635 3.628 1.377 1.00 0.42 C ATOM 1713 O TRP A 168 1.126 4.660 0.920 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.761 4.123 3.410 1.00 0.56 C ATOM 1715 CG TRP A 168 0.189 3.378 4.305 1.00 0.55 C ATOM 1716 CD1 TRP A 168 0.026 2.126 4.820 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.449 3.852 4.797 1.00 0.49 C ATOM 1718 NE1 TRP A 168 1.111 1.784 5.588 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.997 2.829 5.593 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.167 5.039 4.636 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.232 2.961 6.226 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.389 5.169 5.266 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.912 4.136 6.052 1.00 0.50 C ATOM 0 H TRP A 168 -1.563 1.866 2.795 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.394 4.297 1.360 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.494 5.180 3.415 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.767 4.046 3.823 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.833 1.494 4.648 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.237 0.897 6.075 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.773 5.841 4.029 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.638 2.164 6.832 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.951 6.084 5.150 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.871 4.269 6.531 1.00 0.50 H new ATOM 1734 N LEU A 169 1.276 2.466 1.370 1.00 0.41 N ATOM 1735 CA LEU A 169 2.667 2.369 0.951 1.00 0.38 C ATOM 1736 C LEU A 169 2.820 2.199 -0.555 1.00 0.39 C ATOM 1737 O LEU A 169 3.907 2.386 -1.088 1.00 0.41 O ATOM 1738 CB LEU A 169 3.370 1.231 1.691 1.00 0.44 C ATOM 1739 CG LEU A 169 3.906 1.606 3.073 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.499 0.399 3.775 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.943 2.708 2.950 1.00 0.55 C ATOM 0 H LEU A 169 0.855 1.580 1.649 1.00 0.41 H new ATOM 0 HA LEU A 169 3.141 3.316 1.211 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.673 0.400 1.799 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.198 0.874 1.079 1.00 0.44 H new ATOM 0 HG LEU A 169 3.073 1.969 3.675 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.872 0.695 4.755 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.732 -0.366 3.895 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.320 -0.001 3.180 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.318 2.967 3.940 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.769 2.363 2.328 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.488 3.587 2.493 1.00 0.55 H new ATOM 1753 N LYS A 170 1.747 1.857 -1.254 1.00 0.44 N ATOM 1754 CA LYS A 170 1.844 1.677 -2.700 1.00 0.52 C ATOM 1755 C LYS A 170 1.758 3.022 -3.421 1.00 0.50 C ATOM 1756 O LYS A 170 1.873 3.094 -4.643 1.00 0.61 O ATOM 1757 CB LYS A 170 0.781 0.684 -3.217 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.666 1.093 -2.976 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.179 2.030 -4.056 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.589 2.514 -3.761 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.573 1.401 -3.686 1.00 1.48 N ATOM 0 H LYS A 170 0.820 1.701 -0.858 1.00 0.44 H new ATOM 0 HA LYS A 170 2.820 1.244 -2.921 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.928 0.545 -4.288 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.951 -0.283 -2.744 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.294 0.202 -2.940 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.748 1.580 -2.004 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.511 2.887 -4.141 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -1.164 1.518 -5.018 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.592 3.060 -2.818 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.898 3.215 -4.536 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.511 1.747 -3.972 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -3.278 0.633 -4.323 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.619 1.043 -2.711 1.00 1.48 H new ATOM 1775 N TYR A 171 1.573 4.091 -2.650 1.00 0.45 N ATOM 1776 CA TYR A 171 1.456 5.430 -3.213 1.00 0.52 C ATOM 1777 C TYR A 171 2.816 6.021 -3.575 1.00 0.53 C ATOM 1778 O TYR A 171 2.941 6.709 -4.585 1.00 0.68 O ATOM 1779 CB TYR A 171 0.721 6.366 -2.248 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.779 6.161 -2.229 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.598 6.849 -3.115 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.375 5.285 -1.332 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.966 6.666 -3.110 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.745 5.097 -1.319 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.536 5.790 -2.212 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.901 5.598 -2.216 1.00 1.97 O ATOM 0 H TYR A 171 1.501 4.054 -1.633 1.00 0.45 H new ATOM 0 HA TYR A 171 0.876 5.337 -4.131 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.112 6.217 -1.242 1.00 0.56 H new ATOM 0 HB3 TYR A 171 0.935 7.399 -2.523 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.157 7.539 -3.820 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.758 4.741 -0.632 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.588 7.208 -3.808 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.193 4.412 -0.614 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.142 4.949 -1.523 1.00 1.97 H new ATOM 1796 N ILE A 172 3.834 5.744 -2.763 1.00 0.43 N ATOM 1797 CA ILE A 172 5.159 6.327 -2.983 1.00 0.46 C ATOM 1798 C ILE A 172 5.759 5.842 -4.300 1.00 0.56 C ATOM 1799 O ILE A 172 5.726 4.647 -4.609 1.00 0.67 O ATOM 1800 CB ILE A 172 6.146 6.033 -1.823 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.512 5.119 -0.760 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.659 7.332 -1.216 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.146 5.218 0.611 1.00 0.54 C ATOM 0 H ILE A 172 3.770 5.126 -1.954 1.00 0.43 H new ATOM 0 HA ILE A 172 5.011 7.406 -3.025 1.00 0.46 H new ATOM 0 HB ILE A 172 7.000 5.494 -2.233 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.453 5.362 -0.675 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.576 4.086 -1.102 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.350 7.106 -0.404 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.175 7.912 -1.981 1.00 0.57 H new ATOM 0 HG23 ILE A 172 5.819 7.909 -0.828 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.637 4.541 1.297 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.199 4.945 0.545 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.059 6.240 0.979 1.00 0.54 H new ATOM 1815 N ARG A 173 6.288 6.780 -5.078 1.00 0.71 N ATOM 1816 CA ARG A 173 6.797 6.476 -6.408 1.00 0.92 C ATOM 1817 C ARG A 173 8.288 6.779 -6.511 1.00 0.69 C ATOM 1818 O ARG A 173 8.933 7.102 -5.515 1.00 0.61 O ATOM 1819 CB ARG A 173 6.037 7.279 -7.465 1.00 1.38 C ATOM 1820 CG ARG A 173 4.544 7.012 -7.483 1.00 1.82 C ATOM 1821 CD ARG A 173 3.853 7.834 -8.552 1.00 2.22 C ATOM 1822 NE ARG A 173 2.401 7.675 -8.523 1.00 2.79 N ATOM 1823 CZ ARG A 173 1.557 8.420 -9.230 1.00 3.52 C ATOM 1824 NH1 ARG A 173 2.021 9.371 -10.034 1.00 3.84 N ATOM 1825 NH2 ARG A 173 0.248 8.217 -9.133 1.00 4.34 N ATOM 0 H ARG A 173 6.375 7.760 -4.808 1.00 0.71 H new ATOM 0 HA ARG A 173 6.647 5.411 -6.585 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.204 8.342 -7.290 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.449 7.049 -8.448 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.364 5.952 -7.662 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.118 7.247 -6.508 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.104 8.886 -8.417 1.00 2.22 H new ATOM 0 HD3 ARG A 173 4.229 7.540 -9.532 1.00 2.22 H new ATOM 0 HE ARG A 173 2.011 6.948 -7.924 1.00 2.79 H new ATOM 0 HH11 ARG A 173 3.026 9.530 -10.109 1.00 3.84 H new ATOM 0 HH12 ARG A 173 1.372 9.942 -10.576 1.00 3.84 H new ATOM 0 HH21 ARG A 173 -0.111 7.489 -8.515 1.00 4.34 H new ATOM 0 HH22 ARG A 173 -0.398 8.789 -9.676 1.00 4.34 H new ATOM 1839 N VAL A 174 8.826 6.676 -7.725 1.00 0.70 N ATOM 1840 CA VAL A 174 10.247 6.913 -7.965 1.00 0.63 C ATOM 1841 C VAL A 174 10.567 8.403 -7.831 1.00 0.55 C ATOM 1842 O VAL A 174 9.750 9.257 -8.182 1.00 0.62 O ATOM 1843 CB VAL A 174 10.673 6.422 -9.370 1.00 0.73 C ATOM 1844 CG1 VAL A 174 12.190 6.393 -9.497 1.00 0.98 C ATOM 1845 CG2 VAL A 174 10.091 5.049 -9.666 1.00 1.07 C ATOM 0 H VAL A 174 8.296 6.429 -8.561 1.00 0.70 H new ATOM 0 HA VAL A 174 10.804 6.349 -7.217 1.00 0.63 H new ATOM 0 HB VAL A 174 10.279 7.126 -10.103 1.00 0.73 H new ATOM 0 HG11 VAL A 174 12.465 6.045 -10.493 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.587 7.396 -9.341 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.605 5.718 -8.749 1.00 0.98 H new ATOM 0 HG21 VAL A 174 10.405 4.727 -10.659 1.00 1.07 H new ATOM 0 HG22 VAL A 174 10.447 4.335 -8.923 1.00 1.07 H new ATOM 0 HG23 VAL A 174 9.003 5.099 -9.628 1.00 1.07 H new ATOM 1855 N ALA A 175 11.757 8.698 -7.315 1.00 0.53 N ATOM 1856 CA ALA A 175 12.193 10.075 -7.095 1.00 0.57 C ATOM 1857 C ALA A 175 12.217 10.868 -8.393 1.00 0.52 C ATOM 1858 O ALA A 175 12.681 10.387 -9.429 1.00 0.57 O ATOM 1859 CB ALA A 175 13.571 10.091 -6.451 1.00 0.71 C ATOM 0 H ALA A 175 12.443 7.995 -7.039 1.00 0.53 H new ATOM 0 HA ALA A 175 11.475 10.548 -6.426 1.00 0.57 H new ATOM 0 HB1 ALA A 175 13.886 11.122 -6.292 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.531 9.572 -5.494 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.284 9.591 -7.106 1.00 0.71 H new ATOM 1865 N CYS A 176 11.700 12.090 -8.305 1.00 0.62 N ATOM 1866 CA CYS A 176 11.645 13.017 -9.430 1.00 0.69 C ATOM 1867 C CYS A 176 13.031 13.279 -10.011 1.00 0.68 C ATOM 1868 O CYS A 176 13.184 13.452 -11.220 1.00 0.84 O ATOM 1869 CB CYS A 176 11.023 14.336 -8.967 1.00 0.85 C ATOM 1870 SG CYS A 176 10.942 15.612 -10.245 1.00 1.88 S ATOM 0 H CYS A 176 11.304 12.467 -7.444 1.00 0.62 H new ATOM 0 HA CYS A 176 11.035 12.567 -10.213 1.00 0.69 H new ATOM 0 HB2 CYS A 176 10.015 14.140 -8.602 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.598 14.719 -8.124 1.00 0.85 H new ATOM 0 HG CYS A 176 9.745 16.118 -10.278 1.00 1.88 H new ATOM 1876 N SER A 177 14.033 13.296 -9.151 1.00 0.63 N ATOM 1877 CA SER A 177 15.393 13.587 -9.566 1.00 0.71 C ATOM 1878 C SER A 177 16.349 12.492 -9.107 1.00 0.65 C ATOM 1879 O SER A 177 16.196 11.928 -8.023 1.00 0.66 O ATOM 1880 CB SER A 177 15.805 14.940 -8.991 1.00 0.88 C ATOM 1881 OG SER A 177 15.216 15.133 -7.717 1.00 1.63 O ATOM 0 H SER A 177 13.929 13.110 -8.153 1.00 0.63 H new ATOM 0 HA SER A 177 15.438 13.624 -10.654 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.891 14.992 -8.909 1.00 0.88 H new ATOM 0 HB3 SER A 177 15.497 15.739 -9.666 1.00 0.88 H new ATOM 0 HG SER A 177 15.916 15.327 -7.059 1.00 1.63 H new ATOM 1887 N CYS A 178 17.344 12.205 -9.942 1.00 0.71 N ATOM 1888 CA CYS A 178 18.315 11.153 -9.667 1.00 0.76 C ATOM 1889 C CYS A 178 19.275 11.577 -8.554 1.00 0.71 C ATOM 1890 O CYS A 178 20.057 10.776 -8.044 1.00 0.77 O ATOM 1891 CB CYS A 178 19.089 10.812 -10.946 1.00 1.00 C ATOM 1892 SG CYS A 178 20.194 9.388 -10.804 1.00 1.96 S ATOM 0 H CYS A 178 17.499 12.693 -10.824 1.00 0.71 H new ATOM 0 HA CYS A 178 17.781 10.265 -9.329 1.00 0.76 H new ATOM 0 HB2 CYS A 178 18.375 10.622 -11.747 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.676 11.682 -11.242 1.00 1.00 H new ATOM 0 HG CYS A 178 20.665 9.323 -9.594 1.00 1.96 H new ATOM 1898 N ASP A 179 19.209 12.846 -8.179 1.00 0.76 N ATOM 1899 CA ASP A 179 20.014 13.364 -7.080 1.00 0.88 C ATOM 1900 C ASP A 179 19.315 13.105 -5.754 1.00 0.82 C ATOM 1901 O ASP A 179 19.900 13.264 -4.684 1.00 0.99 O ATOM 1902 CB ASP A 179 20.242 14.869 -7.241 1.00 1.08 C ATOM 1903 CG ASP A 179 20.891 15.228 -8.559 1.00 1.81 C ATOM 1904 OD1 ASP A 179 20.164 15.505 -9.538 1.00 2.40 O ATOM 1905 OD2 ASP A 179 22.138 15.231 -8.626 1.00 2.42 O ATOM 0 H ASP A 179 18.605 13.539 -8.621 1.00 0.76 H new ATOM 0 HA ASP A 179 20.977 12.853 -7.094 1.00 0.88 H new ATOM 0 HB2 ASP A 179 19.286 15.387 -7.159 1.00 1.08 H new ATOM 0 HB3 ASP A 179 20.869 15.226 -6.424 1.00 1.08 H new ATOM 1910 N ASP A 180 18.054 12.707 -5.839 1.00 0.70 N ATOM 1911 CA ASP A 180 17.219 12.513 -4.659 1.00 0.75 C ATOM 1912 C ASP A 180 16.923 11.038 -4.426 1.00 0.60 C ATOM 1913 O ASP A 180 15.989 10.696 -3.699 1.00 0.64 O ATOM 1914 CB ASP A 180 15.907 13.295 -4.792 1.00 0.92 C ATOM 1915 CG ASP A 180 16.089 14.787 -4.597 1.00 1.41 C ATOM 1916 OD1 ASP A 180 16.549 15.460 -5.541 1.00 2.12 O ATOM 1917 OD2 ASP A 180 15.767 15.297 -3.502 1.00 1.55 O ATOM 0 H ASP A 180 17.582 12.510 -6.721 1.00 0.70 H new ATOM 0 HA ASP A 180 17.772 12.890 -3.799 1.00 0.75 H new ATOM 0 HB2 ASP A 180 15.479 13.112 -5.777 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.191 12.922 -4.059 1.00 0.92 H new ATOM 1922 N GLN A 181 17.700 10.166 -5.063 1.00 0.51 N ATOM 1923 CA GLN A 181 17.506 8.729 -4.913 1.00 0.46 C ATOM 1924 C GLN A 181 17.693 8.315 -3.459 1.00 0.46 C ATOM 1925 O GLN A 181 18.787 8.432 -2.902 1.00 0.56 O ATOM 1926 CB GLN A 181 18.490 7.951 -5.790 1.00 0.56 C ATOM 1927 CG GLN A 181 18.397 8.292 -7.271 1.00 0.62 C ATOM 1928 CD GLN A 181 17.090 7.855 -7.913 1.00 0.70 C ATOM 1929 OE1 GLN A 181 16.591 8.509 -8.828 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.542 6.733 -7.469 1.00 0.98 N ATOM 0 H GLN A 181 18.465 10.428 -5.684 1.00 0.51 H new ATOM 0 HA GLN A 181 16.489 8.496 -5.228 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.505 8.149 -5.444 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.312 6.883 -5.661 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.512 9.369 -7.396 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.227 7.820 -7.797 1.00 0.62 H new ATOM 0 HE21 GLN A 181 16.983 6.216 -6.708 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.679 6.386 -7.888 1.00 0.98 H new ATOM 1939 N ASN A 182 16.621 7.839 -2.853 1.00 0.40 N ATOM 1940 CA ASN A 182 16.649 7.378 -1.486 1.00 0.41 C ATOM 1941 C ASN A 182 15.524 6.360 -1.293 1.00 0.36 C ATOM 1942 O ASN A 182 14.876 6.294 -0.253 1.00 0.42 O ATOM 1943 CB ASN A 182 16.514 8.585 -0.541 1.00 0.49 C ATOM 1944 CG ASN A 182 16.723 8.231 0.912 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.845 8.065 1.380 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.636 8.148 1.635 1.00 0.93 N ATOM 0 H ASN A 182 15.707 7.763 -3.299 1.00 0.40 H new ATOM 0 HA ASN A 182 17.594 6.887 -1.254 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.238 9.347 -0.830 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.524 9.024 -0.662 1.00 0.49 H new ATOM 0 HD21 ASN A 182 15.701 7.938 2.631 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.724 8.294 1.203 1.00 0.93 H new ATOM 1953 N LEU A 183 15.319 5.543 -2.322 1.00 0.34 N ATOM 1954 CA LEU A 183 14.197 4.611 -2.353 1.00 0.35 C ATOM 1955 C LEU A 183 14.691 3.176 -2.540 1.00 0.36 C ATOM 1956 O LEU A 183 15.498 2.904 -3.428 1.00 0.39 O ATOM 1957 CB LEU A 183 13.231 4.958 -3.499 1.00 0.39 C ATOM 1958 CG LEU A 183 13.119 6.438 -3.874 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.251 6.860 -4.794 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.785 6.722 -4.537 1.00 0.81 C ATOM 0 H LEU A 183 15.917 5.508 -3.147 1.00 0.34 H new ATOM 0 HA LEU A 183 13.674 4.694 -1.400 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.540 4.404 -4.385 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.238 4.599 -3.229 1.00 0.39 H new ATOM 0 HG LEU A 183 13.189 7.017 -2.953 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.144 7.916 -5.042 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.206 6.700 -4.293 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.217 6.267 -5.708 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.725 7.779 -4.796 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.693 6.121 -5.442 1.00 0.81 H new ATOM 0 HD23 LEU A 183 10.977 6.470 -3.851 1.00 0.81 H new ATOM 1972 N THR A 184 14.224 2.265 -1.695 1.00 0.37 N ATOM 1973 CA THR A 184 14.544 0.849 -1.845 1.00 0.41 C ATOM 1974 C THR A 184 13.431 -0.038 -1.288 1.00 0.41 C ATOM 1975 O THR A 184 12.868 0.239 -0.227 1.00 0.45 O ATOM 1976 CB THR A 184 15.890 0.501 -1.168 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.958 1.152 -1.869 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.139 -0.999 -1.148 1.00 0.49 C ATOM 0 H THR A 184 13.623 2.480 -0.899 1.00 0.37 H new ATOM 0 HA THR A 184 14.635 0.654 -2.914 1.00 0.41 H new ATOM 0 HB THR A 184 15.847 0.848 -0.136 1.00 0.45 H new ATOM 0 HG1 THR A 184 16.586 1.728 -2.570 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.094 -1.203 -0.664 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.340 -1.493 -0.596 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.162 -1.378 -2.170 1.00 0.49 H new ATOM 1986 N MET A 185 13.108 -1.090 -2.021 1.00 0.49 N ATOM 1987 CA MET A 185 12.115 -2.061 -1.585 1.00 0.51 C ATOM 1988 C MET A 185 12.765 -3.155 -0.747 1.00 0.60 C ATOM 1989 O MET A 185 13.825 -3.680 -1.099 1.00 0.90 O ATOM 1990 CB MET A 185 11.420 -2.678 -2.800 1.00 0.77 C ATOM 1991 CG MET A 185 10.474 -3.821 -2.458 1.00 1.01 C ATOM 1992 SD MET A 185 9.128 -3.315 -1.372 1.00 1.35 S ATOM 1993 CE MET A 185 8.194 -2.233 -2.450 1.00 1.03 C ATOM 0 H MET A 185 13.523 -1.296 -2.930 1.00 0.49 H new ATOM 0 HA MET A 185 11.375 -1.548 -0.970 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.861 -1.900 -3.320 1.00 0.77 H new ATOM 0 HB3 MET A 185 12.178 -3.042 -3.493 1.00 0.77 H new ATOM 0 HG2 MET A 185 10.057 -4.229 -3.379 1.00 1.01 H new ATOM 0 HG3 MET A 185 11.038 -4.622 -1.981 1.00 1.01 H new ATOM 0 HE1 MET A 185 7.258 -1.956 -1.965 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.775 -1.334 -2.656 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.980 -2.749 -3.386 1.00 1.03 H new ATOM 2003 N CYS A 186 12.128 -3.489 0.363 1.00 0.55 N ATOM 2004 CA CYS A 186 12.589 -4.561 1.227 1.00 0.81 C ATOM 2005 C CYS A 186 11.597 -5.718 1.213 1.00 0.71 C ATOM 2006 O CYS A 186 10.389 -5.524 1.356 1.00 0.65 O ATOM 2007 CB CYS A 186 12.778 -4.042 2.656 1.00 1.10 C ATOM 2008 SG CYS A 186 13.227 -5.307 3.870 1.00 1.73 S ATOM 0 H CYS A 186 11.280 -3.026 0.689 1.00 0.55 H new ATOM 0 HA CYS A 186 13.548 -4.922 0.854 1.00 0.81 H new ATOM 0 HB2 CYS A 186 13.552 -3.274 2.649 1.00 1.10 H new ATOM 0 HB3 CYS A 186 11.854 -3.561 2.978 1.00 1.10 H new ATOM 0 HG CYS A 186 13.363 -4.757 5.040 1.00 1.73 H new ATOM 2014 N GLN A 187 12.115 -6.920 1.034 1.00 0.81 N ATOM 2015 CA GLN A 187 11.286 -8.107 0.991 1.00 0.79 C ATOM 2016 C GLN A 187 11.756 -9.087 2.057 1.00 0.87 C ATOM 2017 O GLN A 187 12.810 -9.709 1.920 1.00 1.01 O ATOM 2018 CB GLN A 187 11.348 -8.729 -0.413 1.00 0.95 C ATOM 2019 CG GLN A 187 10.290 -9.792 -0.687 1.00 1.08 C ATOM 2020 CD GLN A 187 10.668 -11.165 -0.170 1.00 1.47 C ATOM 2021 OE1 GLN A 187 11.844 -11.521 -0.115 1.00 1.93 O ATOM 2022 NE2 GLN A 187 9.669 -11.949 0.194 1.00 1.60 N ATOM 0 H GLN A 187 13.112 -7.098 0.916 1.00 0.81 H new ATOM 0 HA GLN A 187 10.247 -7.849 1.198 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.245 -7.935 -1.152 1.00 0.95 H new ATOM 0 HB3 GLN A 187 12.334 -9.172 -0.556 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.350 -9.485 -0.228 1.00 1.08 H new ATOM 0 HG3 GLN A 187 10.116 -9.852 -1.761 1.00 1.08 H new ATOM 0 HE21 GLN A 187 8.708 -11.613 0.132 1.00 1.60 H new ATOM 0 HE22 GLN A 187 9.859 -12.891 0.537 1.00 1.60 H new ATOM 2031 N ILE A 188 10.990 -9.193 3.132 1.00 0.82 N ATOM 2032 CA ILE A 188 11.344 -10.062 4.247 1.00 0.92 C ATOM 2033 C ILE A 188 10.124 -10.824 4.733 1.00 0.95 C ATOM 2034 O ILE A 188 9.019 -10.290 4.733 1.00 0.87 O ATOM 2035 CB ILE A 188 11.946 -9.268 5.430 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.050 -8.083 5.794 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.349 -8.787 5.093 1.00 1.07 C ATOM 2038 CD1 ILE A 188 11.473 -7.360 7.054 1.00 1.11 C ATOM 0 H ILE A 188 10.114 -8.685 3.257 1.00 0.82 H new ATOM 0 HA ILE A 188 12.098 -10.759 3.880 1.00 0.92 H new ATOM 0 HB ILE A 188 12.007 -9.933 6.292 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.045 -7.375 4.965 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.027 -8.438 5.916 1.00 0.96 H new ATOM 0 HG21 ILE A 188 13.756 -8.231 5.938 1.00 1.07 H new ATOM 0 HG22 ILE A 188 13.987 -9.645 4.883 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.311 -8.140 4.217 1.00 1.07 H new ATOM 0 HD11 ILE A 188 10.789 -6.533 7.246 1.00 1.11 H new ATOM 0 HD12 ILE A 188 11.450 -8.052 7.896 1.00 1.11 H new ATOM 0 HD13 ILE A 188 12.484 -6.973 6.929 1.00 1.11 H new ATOM 2050 N SER A 189 10.330 -12.081 5.117 1.00 1.12 N ATOM 2051 CA SER A 189 9.260 -12.930 5.643 1.00 1.23 C ATOM 2052 C SER A 189 8.106 -13.058 4.640 1.00 1.13 C ATOM 2053 O SER A 189 6.956 -13.277 5.023 1.00 1.15 O ATOM 2054 CB SER A 189 8.747 -12.362 6.969 1.00 1.31 C ATOM 2055 OG SER A 189 9.816 -12.126 7.878 1.00 1.86 O ATOM 0 H SER A 189 11.240 -12.540 5.073 1.00 1.12 H new ATOM 0 HA SER A 189 9.669 -13.926 5.812 1.00 1.23 H new ATOM 0 HB2 SER A 189 8.211 -11.431 6.785 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.035 -13.057 7.414 1.00 1.31 H new ATOM 0 HG SER A 189 9.459 -11.762 8.715 1.00 1.86 H new ATOM 2061 N GLU A 190 8.437 -12.914 3.356 1.00 1.11 N ATOM 2062 CA GLU A 190 7.461 -12.975 2.265 1.00 1.13 C ATOM 2063 C GLU A 190 6.444 -11.837 2.327 1.00 0.96 C ATOM 2064 O GLU A 190 5.419 -11.873 1.634 1.00 1.05 O ATOM 2065 CB GLU A 190 6.744 -14.326 2.229 1.00 1.34 C ATOM 2066 CG GLU A 190 7.436 -15.344 1.340 1.00 1.74 C ATOM 2067 CD GLU A 190 8.871 -15.607 1.749 1.00 2.26 C ATOM 2068 OE1 GLU A 190 9.777 -14.932 1.213 1.00 2.66 O ATOM 2069 OE2 GLU A 190 9.101 -16.482 2.608 1.00 2.83 O ATOM 0 H GLU A 190 9.393 -12.751 3.041 1.00 1.11 H new ATOM 0 HA GLU A 190 8.029 -12.858 1.342 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.678 -14.723 3.242 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.723 -14.179 1.877 1.00 1.34 H new ATOM 0 HG2 GLU A 190 6.879 -16.280 1.367 1.00 1.74 H new ATOM 0 HG3 GLU A 190 7.417 -14.991 0.309 1.00 1.74 H new ATOM 2076 N GLN A 191 6.740 -10.824 3.125 1.00 0.81 N ATOM 2077 CA GLN A 191 5.880 -9.660 3.230 1.00 0.71 C ATOM 2078 C GLN A 191 6.640 -8.419 2.764 1.00 0.61 C ATOM 2079 O GLN A 191 7.872 -8.416 2.716 1.00 0.65 O ATOM 2080 CB GLN A 191 5.357 -9.505 4.665 1.00 0.78 C ATOM 2081 CG GLN A 191 6.421 -9.161 5.693 1.00 0.87 C ATOM 2082 CD GLN A 191 5.953 -9.412 7.114 1.00 1.15 C ATOM 2083 OE1 GLN A 191 6.170 -10.488 7.668 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.299 -8.430 7.710 1.00 1.46 N ATOM 0 H GLN A 191 7.574 -10.786 3.711 1.00 0.81 H new ATOM 0 HA GLN A 191 5.012 -9.789 2.584 1.00 0.71 H new ATOM 0 HB2 GLN A 191 4.594 -8.727 4.677 1.00 0.78 H new ATOM 0 HB3 GLN A 191 4.870 -10.434 4.962 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.316 -9.752 5.498 1.00 0.87 H new ATOM 0 HG3 GLN A 191 6.702 -8.113 5.585 1.00 0.87 H new ATOM 0 HE21 GLN A 191 5.139 -7.551 7.217 1.00 1.46 H new ATOM 0 HE22 GLN A 191 4.955 -8.551 8.663 1.00 1.46 H new ATOM 2093 N ILE A 192 5.904 -7.378 2.405 1.00 0.56 N ATOM 2094 CA ILE A 192 6.490 -6.225 1.728 1.00 0.50 C ATOM 2095 C ILE A 192 6.713 -5.053 2.684 1.00 0.47 C ATOM 2096 O ILE A 192 5.827 -4.701 3.470 1.00 0.61 O ATOM 2097 CB ILE A 192 5.590 -5.771 0.555 1.00 0.65 C ATOM 2098 CG1 ILE A 192 5.324 -6.939 -0.405 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.208 -4.596 -0.189 1.00 0.64 C ATOM 2100 CD1 ILE A 192 6.575 -7.549 -1.006 1.00 1.01 C ATOM 0 H ILE A 192 4.900 -7.305 2.570 1.00 0.56 H new ATOM 0 HA ILE A 192 7.461 -6.538 1.345 1.00 0.50 H new ATOM 0 HB ILE A 192 4.638 -5.441 0.971 1.00 0.65 H new ATOM 0 HG12 ILE A 192 4.776 -7.715 0.129 1.00 0.89 H new ATOM 0 HG13 ILE A 192 4.679 -6.591 -1.212 1.00 0.89 H new ATOM 0 HG21 ILE A 192 5.553 -4.299 -1.008 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.335 -3.758 0.496 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.179 -4.889 -0.589 1.00 0.64 H new ATOM 0 HD11 ILE A 192 6.298 -8.367 -1.671 1.00 1.01 H new ATOM 0 HD12 ILE A 192 7.115 -6.789 -1.571 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.213 -7.931 -0.209 1.00 1.01 H new ATOM 2112 N TYR A 193 7.903 -4.462 2.605 1.00 0.48 N ATOM 2113 CA TYR A 193 8.252 -3.285 3.391 1.00 0.68 C ATOM 2114 C TYR A 193 9.089 -2.320 2.563 1.00 0.50 C ATOM 2115 O TYR A 193 9.827 -2.730 1.673 1.00 0.47 O ATOM 2116 CB TYR A 193 9.040 -3.677 4.643 1.00 1.05 C ATOM 2117 CG TYR A 193 8.190 -4.238 5.753 1.00 1.54 C ATOM 2118 CD1 TYR A 193 8.285 -5.571 6.122 1.00 2.35 C ATOM 2119 CD2 TYR A 193 7.294 -3.428 6.434 1.00 1.86 C ATOM 2120 CE1 TYR A 193 7.509 -6.082 7.143 1.00 3.17 C ATOM 2121 CE2 TYR A 193 6.515 -3.930 7.455 1.00 2.49 C ATOM 2122 CZ TYR A 193 6.626 -5.256 7.806 1.00 3.09 C ATOM 2123 OH TYR A 193 5.850 -5.757 8.822 1.00 3.94 O ATOM 0 H TYR A 193 8.652 -4.787 1.993 1.00 0.48 H new ATOM 0 HA TYR A 193 7.322 -2.801 3.690 1.00 0.68 H new ATOM 0 HB2 TYR A 193 9.794 -4.415 4.369 1.00 1.05 H new ATOM 0 HB3 TYR A 193 9.572 -2.801 5.014 1.00 1.05 H new ATOM 0 HD1 TYR A 193 8.976 -6.219 5.603 1.00 2.35 H new ATOM 0 HD2 TYR A 193 7.205 -2.387 6.160 1.00 1.86 H new ATOM 0 HE1 TYR A 193 7.593 -7.122 7.421 1.00 3.17 H new ATOM 0 HE2 TYR A 193 5.822 -3.286 7.976 1.00 2.49 H new ATOM 0 HH TYR A 193 5.284 -5.043 9.184 1.00 3.94 H new ATOM 2133 N TYR A 194 8.983 -1.036 2.862 1.00 0.49 N ATOM 2134 CA TYR A 194 9.806 -0.043 2.199 1.00 0.41 C ATOM 2135 C TYR A 194 10.955 0.353 3.112 1.00 0.40 C ATOM 2136 O TYR A 194 10.740 0.935 4.175 1.00 0.49 O ATOM 2137 CB TYR A 194 8.973 1.187 1.820 1.00 0.56 C ATOM 2138 CG TYR A 194 7.989 0.937 0.689 1.00 0.59 C ATOM 2139 CD1 TYR A 194 6.931 0.048 0.847 1.00 0.80 C ATOM 2140 CD2 TYR A 194 8.105 1.598 -0.529 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.026 -0.176 -0.168 1.00 0.89 C ATOM 2142 CE2 TYR A 194 7.200 1.377 -1.552 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.211 0.469 -1.402 1.00 0.80 C ATOM 2144 OH TYR A 194 5.257 0.263 -2.379 1.00 0.92 O ATOM 0 H TYR A 194 8.338 -0.660 3.557 1.00 0.49 H new ATOM 0 HA TYR A 194 10.208 -0.471 1.281 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.424 1.527 2.698 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.646 1.995 1.532 1.00 0.56 H new ATOM 0 HD1 TYR A 194 6.816 -0.477 1.784 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.915 2.296 -0.679 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.186 -0.838 -0.017 1.00 0.89 H new ATOM 0 HE2 TYR A 194 7.285 1.933 -2.474 1.00 0.85 H new ATOM 0 HH TYR A 194 5.500 0.765 -3.185 1.00 0.92 H new ATOM 2154 N LYS A 195 12.171 0.027 2.702 1.00 0.37 N ATOM 2155 CA LYS A 195 13.347 0.309 3.509 1.00 0.38 C ATOM 2156 C LYS A 195 14.007 1.576 3.010 1.00 0.39 C ATOM 2157 O LYS A 195 14.306 1.710 1.822 1.00 0.43 O ATOM 2158 CB LYS A 195 14.328 -0.878 3.472 1.00 0.40 C ATOM 2159 CG LYS A 195 15.607 -0.688 4.293 1.00 0.43 C ATOM 2160 CD LYS A 195 16.686 0.088 3.541 1.00 0.46 C ATOM 2161 CE LYS A 195 17.252 -0.687 2.361 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.010 -1.892 2.790 1.00 1.11 N ATOM 0 H LYS A 195 12.369 -0.434 1.814 1.00 0.37 H new ATOM 0 HA LYS A 195 13.046 0.454 4.546 1.00 0.38 H new ATOM 0 HB2 LYS A 195 13.812 -1.768 3.833 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.605 -1.069 2.435 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.365 -0.162 5.216 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.000 -1.665 4.576 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.269 1.030 3.185 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.494 0.337 4.228 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.437 -0.988 1.702 1.00 0.53 H new ATOM 0 HE3 LYS A 195 17.906 -0.036 1.781 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.516 -2.292 1.975 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.695 -1.627 3.527 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.350 -2.601 3.169 1.00 1.11 H new ATOM 2176 N VAL A 196 14.231 2.504 3.914 1.00 0.41 N ATOM 2177 CA VAL A 196 14.825 3.765 3.549 1.00 0.45 C ATOM 2178 C VAL A 196 16.328 3.700 3.724 1.00 0.43 C ATOM 2179 O VAL A 196 16.849 2.959 4.556 1.00 0.41 O ATOM 2180 CB VAL A 196 14.265 4.924 4.372 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.427 6.212 3.604 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.804 4.688 4.741 1.00 0.68 C ATOM 0 H VAL A 196 14.010 2.407 4.905 1.00 0.41 H new ATOM 0 HA VAL A 196 14.579 3.949 2.503 1.00 0.45 H new ATOM 0 HB VAL A 196 14.825 4.993 5.305 1.00 0.51 H new ATOM 0 HG11 VAL A 196 14.027 7.039 4.191 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.484 6.386 3.405 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.886 6.143 2.660 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.436 5.531 5.326 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.210 4.590 3.832 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.720 3.774 5.329 1.00 0.68 H new ATOM 2192 N ILE A 197 17.009 4.485 2.920 1.00 0.47 N ATOM 2193 CA ILE A 197 18.455 4.390 2.775 1.00 0.45 C ATOM 2194 C ILE A 197 19.144 5.208 3.845 1.00 0.45 C ATOM 2195 O ILE A 197 19.939 4.692 4.632 1.00 0.49 O ATOM 2196 CB ILE A 197 18.923 4.898 1.391 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.816 4.757 0.349 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.157 4.146 0.935 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.287 3.352 0.197 1.00 0.62 C ATOM 0 H ILE A 197 16.581 5.210 2.345 1.00 0.47 H new ATOM 0 HA ILE A 197 18.720 3.337 2.874 1.00 0.45 H new ATOM 0 HB ILE A 197 19.169 5.955 1.493 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.991 5.417 0.619 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.194 5.098 -0.615 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.470 4.518 -0.040 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.961 4.295 1.656 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.929 3.083 0.861 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.504 3.338 -0.562 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.097 2.689 -0.105 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.876 3.013 1.148 1.00 0.62 H new ATOM 2211 N LYS A 198 18.832 6.491 3.864 1.00 0.47 N ATOM 2212 CA LYS A 198 19.355 7.385 4.877 1.00 0.49 C ATOM 2213 C LYS A 198 18.265 8.318 5.389 1.00 0.48 C ATOM 2214 O LYS A 198 17.129 8.261 4.916 1.00 0.49 O ATOM 2215 CB LYS A 198 20.581 8.167 4.363 1.00 0.59 C ATOM 2216 CG LYS A 198 20.533 8.547 2.885 1.00 0.75 C ATOM 2217 CD LYS A 198 20.339 10.042 2.676 1.00 0.94 C ATOM 2218 CE LYS A 198 18.929 10.477 3.024 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.746 11.944 2.905 1.00 1.38 N ATOM 0 H LYS A 198 18.216 6.938 3.185 1.00 0.47 H new ATOM 0 HA LYS A 198 19.695 6.779 5.717 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.685 9.077 4.953 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.475 7.568 4.540 1.00 0.59 H new ATOM 0 HG2 LYS A 198 21.458 8.232 2.402 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.720 8.007 2.400 1.00 0.75 H new ATOM 0 HD2 LYS A 198 21.052 10.591 3.291 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.552 10.295 1.638 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.222 9.971 2.366 1.00 0.98 H new ATOM 0 HE3 LYS A 198 18.696 10.166 4.042 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 18.088 12.273 3.641 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 19.664 12.419 3.023 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.357 12.170 1.967 1.00 1.38 H new ATOM 2233 N ASP A 199 18.639 9.182 6.328 1.00 0.52 N ATOM 2234 CA ASP A 199 17.691 10.019 7.071 1.00 0.56 C ATOM 2235 C ASP A 199 16.684 10.733 6.171 1.00 0.55 C ATOM 2236 O ASP A 199 17.029 11.273 5.119 1.00 0.67 O ATOM 2237 CB ASP A 199 18.444 11.053 7.917 1.00 0.67 C ATOM 2238 CG ASP A 199 19.141 12.117 7.084 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.245 11.840 6.562 1.00 2.23 O ATOM 2240 OD2 ASP A 199 18.576 13.226 6.932 1.00 2.13 O ATOM 0 H ASP A 199 19.612 9.325 6.599 1.00 0.52 H new ATOM 0 HA ASP A 199 17.126 9.344 7.714 1.00 0.56 H new ATOM 0 HB2 ASP A 199 17.743 11.536 8.598 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.184 10.540 8.532 1.00 0.67 H new ATOM 2245 N ILE A 200 15.434 10.734 6.597 1.00 0.52 N ATOM 2246 CA ILE A 200 14.386 11.432 5.876 1.00 0.55 C ATOM 2247 C ILE A 200 14.055 12.741 6.567 1.00 0.54 C ATOM 2248 O ILE A 200 13.913 12.794 7.792 1.00 0.57 O ATOM 2249 CB ILE A 200 13.100 10.581 5.751 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.348 9.355 4.871 1.00 0.69 C ATOM 2251 CG2 ILE A 200 11.945 11.409 5.189 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.677 9.694 3.427 1.00 0.88 C ATOM 0 H ILE A 200 15.119 10.257 7.442 1.00 0.52 H new ATOM 0 HA ILE A 200 14.763 11.626 4.872 1.00 0.55 H new ATOM 0 HB ILE A 200 12.825 10.245 6.751 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.168 8.775 5.294 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.463 8.719 4.893 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.054 10.786 5.112 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.743 12.250 5.853 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.213 11.783 4.201 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.840 8.774 2.865 1.00 0.88 H new ATOM 0 HD12 ILE A 200 12.848 10.247 2.985 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.579 10.304 3.393 1.00 0.88 H new ATOM 2264 N GLU A 201 13.959 13.794 5.778 1.00 0.55 N ATOM 2265 CA GLU A 201 13.546 15.089 6.282 1.00 0.57 C ATOM 2266 C GLU A 201 12.066 15.303 5.990 1.00 0.49 C ATOM 2267 O GLU A 201 11.584 14.932 4.917 1.00 0.55 O ATOM 2268 CB GLU A 201 14.385 16.195 5.643 1.00 0.68 C ATOM 2269 CG GLU A 201 15.844 16.152 6.057 1.00 0.81 C ATOM 2270 CD GLU A 201 16.669 17.235 5.401 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.447 18.425 5.704 1.00 1.51 O ATOM 2272 OE2 GLU A 201 17.556 16.904 4.588 1.00 2.06 O ATOM 0 H GLU A 201 14.163 13.777 4.779 1.00 0.55 H new ATOM 0 HA GLU A 201 13.701 15.122 7.360 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.319 16.112 4.558 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.965 17.164 5.914 1.00 0.68 H new ATOM 0 HG2 GLU A 201 15.913 16.254 7.140 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.261 15.178 5.801 1.00 0.81 H new ATOM 2279 N PRO A 202 11.317 15.870 6.951 1.00 0.43 N ATOM 2280 CA PRO A 202 9.887 16.133 6.780 1.00 0.43 C ATOM 2281 C PRO A 202 9.608 16.985 5.550 1.00 0.45 C ATOM 2282 O PRO A 202 10.031 18.144 5.477 1.00 0.51 O ATOM 2283 CB PRO A 202 9.500 16.889 8.054 1.00 0.49 C ATOM 2284 CG PRO A 202 10.532 16.503 9.053 1.00 0.49 C ATOM 2285 CD PRO A 202 11.800 16.295 8.276 1.00 0.45 C ATOM 0 HA PRO A 202 9.319 15.215 6.632 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.493 17.966 7.888 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.501 16.612 8.390 1.00 0.49 H new ATOM 0 HG2 PRO A 202 10.658 17.282 9.805 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.244 15.594 9.581 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.390 17.210 8.215 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.434 15.537 8.736 1.00 0.45 H new ATOM 2293 N GLY A 203 8.911 16.406 4.583 1.00 0.44 N ATOM 2294 CA GLY A 203 8.593 17.130 3.374 1.00 0.52 C ATOM 2295 C GLY A 203 9.113 16.462 2.114 1.00 0.54 C ATOM 2296 O GLY A 203 9.049 17.051 1.033 1.00 0.70 O ATOM 0 H GLY A 203 8.561 15.448 4.616 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.511 17.238 3.298 1.00 0.52 H new ATOM 0 HA3 GLY A 203 9.010 18.135 3.441 1.00 0.52 H new ATOM 2300 N GLU A 204 9.649 15.249 2.234 1.00 0.48 N ATOM 2301 CA GLU A 204 10.057 14.492 1.051 1.00 0.51 C ATOM 2302 C GLU A 204 9.814 12.995 1.232 1.00 0.39 C ATOM 2303 O GLU A 204 10.304 12.377 2.179 1.00 0.40 O ATOM 2304 CB GLU A 204 11.529 14.760 0.713 1.00 0.65 C ATOM 2305 CG GLU A 204 12.507 14.431 1.830 1.00 0.71 C ATOM 2306 CD GLU A 204 13.942 14.703 1.434 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.538 13.861 0.727 1.00 1.16 O ATOM 2308 OE2 GLU A 204 14.489 15.750 1.840 1.00 1.27 O ATOM 0 H GLU A 204 9.809 14.775 3.123 1.00 0.48 H new ATOM 0 HA GLU A 204 9.442 14.831 0.217 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.797 14.178 -0.169 1.00 0.65 H new ATOM 0 HB3 GLU A 204 11.641 15.811 0.448 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.258 15.019 2.713 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.401 13.382 2.106 1.00 0.71 H new ATOM 2315 N GLU A 205 9.027 12.425 0.331 1.00 0.47 N ATOM 2316 CA GLU A 205 8.750 10.996 0.337 1.00 0.51 C ATOM 2317 C GLU A 205 9.375 10.286 -0.863 1.00 0.43 C ATOM 2318 O GLU A 205 8.783 10.233 -1.937 1.00 0.49 O ATOM 2319 CB GLU A 205 7.238 10.737 0.358 1.00 0.80 C ATOM 2320 CG GLU A 205 6.382 11.886 -0.172 1.00 1.49 C ATOM 2321 CD GLU A 205 6.666 12.242 -1.617 1.00 2.41 C ATOM 2322 OE1 GLU A 205 7.558 13.087 -1.857 1.00 2.84 O ATOM 2323 OE2 GLU A 205 6.009 11.679 -2.513 1.00 2.92 O ATOM 0 H GLU A 205 8.565 12.937 -0.421 1.00 0.47 H new ATOM 0 HA GLU A 205 9.201 10.590 1.242 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.029 9.845 -0.232 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.935 10.520 1.382 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.330 11.619 -0.073 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.547 12.767 0.449 1.00 1.49 H new ATOM 2330 N LEU A 206 10.556 9.720 -0.695 1.00 0.37 N ATOM 2331 CA LEU A 206 11.116 8.911 -1.764 1.00 0.36 C ATOM 2332 C LEU A 206 11.241 7.469 -1.296 1.00 0.36 C ATOM 2333 O LEU A 206 12.211 7.111 -0.638 1.00 0.39 O ATOM 2334 CB LEU A 206 12.503 9.429 -2.202 1.00 0.41 C ATOM 2335 CG LEU A 206 12.601 10.906 -2.610 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.450 11.309 -3.522 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.674 11.798 -1.381 1.00 0.84 C ATOM 0 H LEU A 206 11.132 9.800 0.143 1.00 0.37 H new ATOM 0 HA LEU A 206 10.445 8.974 -2.621 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.202 9.257 -1.384 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.841 8.823 -3.043 1.00 0.41 H new ATOM 0 HG LEU A 206 13.522 11.038 -3.177 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.550 12.360 -3.792 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.471 10.699 -4.425 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.504 11.156 -3.003 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.743 12.841 -1.692 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.778 11.658 -0.776 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.553 11.536 -0.793 1.00 0.84 H new ATOM 2349 N LEU A 207 10.259 6.648 -1.659 1.00 0.37 N ATOM 2350 CA LEU A 207 10.267 5.219 -1.346 1.00 0.40 C ATOM 2351 C LEU A 207 9.580 4.440 -2.466 1.00 0.43 C ATOM 2352 O LEU A 207 8.390 4.611 -2.685 1.00 0.53 O ATOM 2353 CB LEU A 207 9.557 4.946 -0.007 1.00 0.43 C ATOM 2354 CG LEU A 207 10.406 5.074 1.271 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.821 4.551 1.052 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.424 6.508 1.776 1.00 0.44 C ATOM 0 H LEU A 207 9.435 6.953 -2.178 1.00 0.37 H new ATOM 0 HA LEU A 207 11.303 4.892 -1.258 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.714 5.632 0.076 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.145 3.937 -0.041 1.00 0.43 H new ATOM 0 HG LEU A 207 9.941 4.455 2.039 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.394 4.656 1.973 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.780 3.500 0.767 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.302 5.123 0.259 1.00 0.49 H new ATOM 0 HD21 LEU A 207 11.031 6.568 2.679 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.847 7.158 1.010 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.406 6.827 2.001 1.00 0.44 H new ATOM 2368 N VAL A 208 10.303 3.596 -3.179 1.00 0.43 N ATOM 2369 CA VAL A 208 9.705 2.879 -4.295 1.00 0.50 C ATOM 2370 C VAL A 208 10.426 1.565 -4.554 1.00 0.57 C ATOM 2371 O VAL A 208 11.574 1.381 -4.143 1.00 0.59 O ATOM 2372 CB VAL A 208 9.731 3.729 -5.587 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.125 3.745 -6.196 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.702 3.228 -6.591 1.00 0.88 C ATOM 0 H VAL A 208 11.288 3.391 -3.012 1.00 0.43 H new ATOM 0 HA VAL A 208 8.670 2.674 -4.021 1.00 0.50 H new ATOM 0 HB VAL A 208 9.467 4.753 -5.322 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.119 4.349 -7.103 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.829 4.171 -5.482 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.427 2.727 -6.440 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.741 3.843 -7.490 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.921 2.192 -6.850 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.706 3.290 -6.153 1.00 0.88 H new ATOM 2384 N HIS A 209 9.735 0.651 -5.213 1.00 0.69 N ATOM 2385 CA HIS A 209 10.373 -0.513 -5.789 1.00 0.82 C ATOM 2386 C HIS A 209 10.910 -0.133 -7.161 1.00 0.94 C ATOM 2387 O HIS A 209 10.132 0.130 -8.084 1.00 1.09 O ATOM 2388 CB HIS A 209 9.369 -1.664 -5.913 1.00 1.02 C ATOM 2389 CG HIS A 209 9.929 -2.903 -6.544 1.00 1.20 C ATOM 2390 ND1 HIS A 209 10.842 -3.780 -6.060 1.00 1.42 N flip ATOM 2391 CD2 HIS A 209 9.518 -3.322 -7.785 1.00 1.41 C flip ATOM 2392 CE1 HIS A 209 11.000 -4.753 -7.009 1.00 1.54 C flip ATOM 2393 NE2 HIS A 209 10.185 -4.437 -8.024 1.00 1.55 N flip ATOM 0 H HIS A 209 8.727 0.696 -5.361 1.00 0.69 H new ATOM 0 HA HIS A 209 11.189 -0.846 -5.147 1.00 0.82 H new ATOM 0 HB2 HIS A 209 8.994 -1.913 -4.920 1.00 1.02 H new ATOM 0 HB3 HIS A 209 8.515 -1.325 -6.500 1.00 1.02 H new ATOM 0 HD2 HIS A 209 8.799 -2.840 -8.431 1.00 1.41 H new ATOM 0 HE1 HIS A 209 11.655 -5.610 -6.951 1.00 1.54 H new ATOM 0 HE2 HIS A 209 10.091 -4.989 -8.876 1.00 1.55 H new ATOM 2401 N VAL A 210 12.231 -0.079 -7.286 1.00 1.14 N ATOM 2402 CA VAL A 210 12.861 0.299 -8.543 1.00 1.45 C ATOM 2403 C VAL A 210 12.465 -0.675 -9.644 1.00 1.58 C ATOM 2404 O VAL A 210 12.707 -1.878 -9.549 1.00 1.82 O ATOM 2405 CB VAL A 210 14.400 0.356 -8.422 1.00 1.92 C ATOM 2406 CG1 VAL A 210 15.030 0.755 -9.748 1.00 2.56 C ATOM 2407 CG2 VAL A 210 14.813 1.327 -7.325 1.00 2.44 C ATOM 0 H VAL A 210 12.885 -0.292 -6.533 1.00 1.14 H new ATOM 0 HA VAL A 210 12.509 1.299 -8.796 1.00 1.45 H new ATOM 0 HB VAL A 210 14.758 -0.639 -8.158 1.00 1.92 H new ATOM 0 HG11 VAL A 210 16.114 0.789 -9.640 1.00 2.56 H new ATOM 0 HG12 VAL A 210 14.764 0.024 -10.512 1.00 2.56 H new ATOM 0 HG13 VAL A 210 14.664 1.738 -10.044 1.00 2.56 H new ATOM 0 HG21 VAL A 210 15.900 1.354 -7.254 1.00 2.44 H new ATOM 0 HG22 VAL A 210 14.440 2.323 -7.561 1.00 2.44 H new ATOM 0 HG23 VAL A 210 14.395 1.000 -6.373 1.00 2.44 H new