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 185 MET CE :methyl -134:sc= -2.56! (180deg=-5.2!) USER MOD Set 1.2: A 194 TYR OH : rot 140:sc= 0.295 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -127:sc= 0.0521 (180deg=-1.11!) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= 1.08 (180deg=0.559) USER MOD Single : A 104 MET CE :methyl -132:sc= -2.38! (180deg=-3.76!) USER MOD Single : A 113 CYS SG : rot 55:sc= 1.22 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0195) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot -34:sc= 0.00726 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN : amide:sc= -0.873 K(o=-0.87,f=-2.7!) USER MOD Single : A 182 ASN : amide:sc= -8.94! C(o=-8.9!,f=-14!) USER MOD Single : A 184 THR OG1 : rot 180:sc=-0.000671 USER MOD Single : A 186 CYS SG : rot 180:sc= -0.347 USER MOD Single : A 187 GLN :FLIP amide:sc= -0.0296 F(o=-1.3!,f=-0.03) USER MOD Single : A 189 SER OG : rot -46:sc= 0.362 USER MOD Single : A 191 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 193 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -163:sc= -0.0804 (180deg=-0.392) USER MOD Single : A 198 LYS NZ :NH3+ -179:sc= 0.818 (180deg=0.818) USER MOD Single : A 209 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -6.960 4.630 3.698 1.00 1.90 N ATOM 389 CA ILE A 78 -6.006 3.662 4.204 1.00 1.74 C ATOM 390 C ILE A 78 -5.229 4.240 5.387 1.00 1.48 C ATOM 391 O ILE A 78 -4.525 5.238 5.238 1.00 1.42 O ATOM 392 CB ILE A 78 -5.024 3.252 3.089 1.00 1.86 C ATOM 393 CG1 ILE A 78 -5.795 2.849 1.829 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.141 2.107 3.555 1.00 1.84 C ATOM 395 CD1 ILE A 78 -4.912 2.627 0.621 1.00 2.45 C ATOM 0 HA ILE A 78 -6.556 2.783 4.541 1.00 1.74 H new ATOM 0 HB ILE A 78 -4.388 4.105 2.853 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -6.354 1.936 2.032 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -6.525 3.624 1.597 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.453 1.829 2.756 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.572 2.419 4.431 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.763 1.250 3.813 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -5.528 2.344 -0.233 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -4.372 3.546 0.391 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -4.199 1.831 0.833 1.00 2.45 H new ATOM 407 N PRO A 79 -5.357 3.626 6.579 1.00 1.44 N ATOM 408 CA PRO A 79 -4.706 4.117 7.799 1.00 1.27 C ATOM 409 C PRO A 79 -3.187 4.172 7.677 1.00 1.11 C ATOM 410 O PRO A 79 -2.550 3.220 7.211 1.00 1.23 O ATOM 411 CB PRO A 79 -5.119 3.107 8.877 1.00 1.50 C ATOM 412 CG PRO A 79 -5.589 1.906 8.133 1.00 1.75 C ATOM 413 CD PRO A 79 -6.150 2.412 6.836 1.00 1.70 C ATOM 0 HA PRO A 79 -5.009 5.140 8.022 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.280 2.862 9.528 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.908 3.510 9.512 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -4.768 1.211 7.958 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -6.347 1.367 8.702 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -6.038 1.680 6.036 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.214 2.635 6.917 1.00 1.70 H new ATOM 421 N ILE A 80 -2.619 5.294 8.097 1.00 0.93 N ATOM 422 CA ILE A 80 -1.184 5.508 8.046 1.00 0.82 C ATOM 423 C ILE A 80 -0.667 5.892 9.429 1.00 0.72 C ATOM 424 O ILE A 80 -1.380 6.537 10.204 1.00 0.74 O ATOM 425 CB ILE A 80 -0.784 6.621 7.036 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.251 8.007 7.508 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.352 6.322 5.657 1.00 1.01 C ATOM 428 CD1 ILE A 80 -2.727 8.271 7.307 1.00 0.99 C ATOM 0 H ILE A 80 -3.142 6.080 8.482 1.00 0.93 H new ATOM 0 HA ILE A 80 -0.736 4.572 7.712 1.00 0.82 H new ATOM 0 HB ILE A 80 0.304 6.633 6.978 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.016 8.115 8.567 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -0.682 8.769 6.976 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.061 7.112 4.965 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -0.963 5.367 5.302 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.439 6.272 5.714 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -2.970 9.271 7.667 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -2.968 8.199 6.247 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.307 7.534 7.862 1.00 0.99 H new ATOM 440 N PRO A 81 0.565 5.481 9.767 1.00 0.68 N ATOM 441 CA PRO A 81 1.215 5.877 11.017 1.00 0.67 C ATOM 442 C PRO A 81 1.319 7.394 11.132 1.00 0.64 C ATOM 443 O PRO A 81 1.465 8.097 10.130 1.00 0.61 O ATOM 444 CB PRO A 81 2.607 5.247 10.926 1.00 0.69 C ATOM 445 CG PRO A 81 2.474 4.151 9.930 1.00 0.71 C ATOM 446 CD PRO A 81 1.413 4.591 8.962 1.00 0.73 C ATOM 0 HA PRO A 81 0.657 5.550 11.894 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.351 5.979 10.610 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.929 4.863 11.894 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.419 3.974 9.417 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.195 3.216 10.415 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.842 5.111 8.105 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.849 3.744 8.571 1.00 0.73 H new ATOM 454 N ALA A 82 1.248 7.880 12.366 1.00 0.75 N ATOM 455 CA ALA A 82 1.118 9.307 12.648 1.00 0.80 C ATOM 456 C ALA A 82 2.244 10.147 12.058 1.00 0.71 C ATOM 457 O ALA A 82 2.059 11.337 11.815 1.00 0.78 O ATOM 458 CB ALA A 82 1.047 9.533 14.150 1.00 1.04 C ATOM 0 H ALA A 82 1.279 7.296 13.201 1.00 0.75 H new ATOM 0 HA ALA A 82 0.196 9.634 12.167 1.00 0.80 H new ATOM 0 HB1 ALA A 82 0.950 10.599 14.353 1.00 1.04 H new ATOM 0 HB2 ALA A 82 0.184 9.006 14.557 1.00 1.04 H new ATOM 0 HB3 ALA A 82 1.956 9.156 14.618 1.00 1.04 H new ATOM 464 N ASP A 83 3.393 9.531 11.811 1.00 0.67 N ATOM 465 CA ASP A 83 4.573 10.272 11.378 1.00 0.70 C ATOM 466 C ASP A 83 4.662 10.398 9.858 1.00 0.55 C ATOM 467 O ASP A 83 5.648 10.908 9.327 1.00 0.60 O ATOM 468 CB ASP A 83 5.841 9.630 11.936 1.00 0.88 C ATOM 469 CG ASP A 83 5.921 9.764 13.441 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.117 10.897 13.925 1.00 1.39 O ATOM 471 OD2 ASP A 83 5.782 8.746 14.148 1.00 1.66 O ATOM 0 H ASP A 83 3.534 8.525 11.902 1.00 0.67 H new ATOM 0 HA ASP A 83 4.477 11.282 11.775 1.00 0.70 H new ATOM 0 HB2 ASP A 83 5.865 8.575 11.663 1.00 0.88 H new ATOM 0 HB3 ASP A 83 6.715 10.097 11.482 1.00 0.88 H new ATOM 476 N PHE A 84 3.610 9.990 9.160 1.00 0.45 N ATOM 477 CA PHE A 84 3.566 10.118 7.707 1.00 0.41 C ATOM 478 C PHE A 84 2.233 10.717 7.310 1.00 0.40 C ATOM 479 O PHE A 84 1.209 10.397 7.908 1.00 0.56 O ATOM 480 CB PHE A 84 3.773 8.767 7.006 1.00 0.42 C ATOM 481 CG PHE A 84 4.915 7.971 7.570 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.682 6.959 8.485 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.220 8.247 7.197 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.728 6.234 9.020 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.270 7.524 7.727 1.00 0.98 C ATOM 486 CZ PHE A 84 7.025 6.517 8.640 1.00 1.00 C ATOM 0 H PHE A 84 2.778 9.569 9.573 1.00 0.45 H new ATOM 0 HA PHE A 84 4.381 10.769 7.391 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.857 8.181 7.085 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.950 8.940 5.944 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.669 6.734 8.784 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.418 9.035 6.485 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.532 5.448 9.734 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.284 7.746 7.427 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.846 5.952 9.056 1.00 1.00 H new ATOM 496 N GLU A 85 2.239 11.617 6.347 1.00 0.39 N ATOM 497 CA GLU A 85 1.018 12.288 5.950 1.00 0.44 C ATOM 498 C GLU A 85 0.626 11.916 4.527 1.00 0.39 C ATOM 499 O GLU A 85 1.372 12.167 3.588 1.00 0.40 O ATOM 500 CB GLU A 85 1.183 13.803 6.064 1.00 0.61 C ATOM 501 CG GLU A 85 -0.080 14.583 5.748 1.00 1.15 C ATOM 502 CD GLU A 85 0.102 16.075 5.920 1.00 1.60 C ATOM 503 OE1 GLU A 85 -0.205 16.591 7.011 1.00 1.88 O ATOM 504 OE2 GLU A 85 0.561 16.735 4.967 1.00 2.27 O ATOM 0 H GLU A 85 3.070 11.899 5.828 1.00 0.39 H new ATOM 0 HA GLU A 85 0.224 11.963 6.622 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.507 14.049 7.075 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.976 14.124 5.389 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.386 14.373 4.723 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -0.886 14.241 6.397 1.00 1.15 H new ATOM 511 N LEU A 86 -0.546 11.326 4.376 1.00 0.41 N ATOM 512 CA LEU A 86 -1.048 10.967 3.062 1.00 0.43 C ATOM 513 C LEU A 86 -1.728 12.170 2.440 1.00 0.44 C ATOM 514 O LEU A 86 -2.539 12.836 3.082 1.00 0.48 O ATOM 515 CB LEU A 86 -2.017 9.788 3.167 1.00 0.52 C ATOM 516 CG LEU A 86 -2.478 9.165 1.841 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.860 7.711 2.056 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.660 9.925 1.255 1.00 0.70 C ATOM 0 H LEU A 86 -1.168 11.085 5.147 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.217 10.662 2.426 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.544 9.009 3.765 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -2.900 10.118 3.715 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.650 9.225 1.135 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.186 7.277 1.111 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -1.997 7.160 2.430 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.671 7.651 2.781 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.963 9.460 0.317 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.493 9.900 1.958 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.372 10.960 1.070 1.00 0.70 H new ATOM 530 N ARG A 87 -1.387 12.456 1.199 1.00 0.47 N ATOM 531 CA ARG A 87 -1.916 13.625 0.524 1.00 0.55 C ATOM 532 C ARG A 87 -2.236 13.310 -0.926 1.00 0.61 C ATOM 533 O ARG A 87 -1.378 12.842 -1.673 1.00 0.66 O ATOM 534 CB ARG A 87 -0.906 14.770 0.595 1.00 0.62 C ATOM 535 CG ARG A 87 -0.768 15.394 1.969 1.00 0.69 C ATOM 536 CD ARG A 87 -2.030 16.132 2.358 1.00 1.04 C ATOM 537 NE ARG A 87 -1.886 16.827 3.635 1.00 1.63 N ATOM 538 CZ ARG A 87 -2.899 17.367 4.311 1.00 2.32 C ATOM 539 NH1 ARG A 87 -4.132 17.330 3.820 1.00 2.62 N ATOM 540 NH2 ARG A 87 -2.669 17.954 5.479 1.00 3.21 N ATOM 0 H ARG A 87 -0.746 11.895 0.638 1.00 0.47 H new ATOM 0 HA ARG A 87 -2.837 13.924 1.025 1.00 0.55 H new ATOM 0 HB2 ARG A 87 0.069 14.400 0.277 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.200 15.543 -0.115 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -0.554 14.619 2.705 1.00 0.69 H new ATOM 0 HG3 ARG A 87 0.077 16.082 1.977 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -2.283 16.852 1.580 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -2.858 15.426 2.421 1.00 1.04 H new ATOM 0 HE ARG A 87 -0.951 16.904 4.034 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -4.309 16.886 2.919 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -4.902 17.746 4.344 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -1.721 17.990 5.854 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -3.440 18.369 6.002 1.00 3.21 H new ATOM 554 N GLU A 88 -3.476 13.551 -1.321 1.00 0.73 N ATOM 555 CA GLU A 88 -3.857 13.375 -2.707 1.00 0.84 C ATOM 556 C GLU A 88 -3.429 14.597 -3.505 1.00 0.87 C ATOM 557 O GLU A 88 -3.971 15.688 -3.325 1.00 0.98 O ATOM 558 CB GLU A 88 -5.365 13.175 -2.841 1.00 1.06 C ATOM 559 CG GLU A 88 -5.799 12.886 -4.267 1.00 1.61 C ATOM 560 CD GLU A 88 -7.280 13.080 -4.472 1.00 1.96 C ATOM 561 OE1 GLU A 88 -8.057 12.169 -4.117 1.00 2.46 O ATOM 562 OE2 GLU A 88 -7.679 14.137 -4.995 1.00 2.21 O ATOM 0 H GLU A 88 -4.227 13.866 -0.706 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.360 12.485 -3.093 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.676 12.351 -2.198 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.878 14.068 -2.485 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.253 13.538 -4.948 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -5.531 11.861 -4.524 1.00 1.61 H new ATOM 569 N SER A 89 -2.460 14.398 -4.380 1.00 0.85 N ATOM 570 CA SER A 89 -1.933 15.456 -5.221 1.00 0.95 C ATOM 571 C SER A 89 -0.883 14.861 -6.147 1.00 0.90 C ATOM 572 O SER A 89 0.035 14.184 -5.690 1.00 1.11 O ATOM 573 CB SER A 89 -1.317 16.578 -4.372 1.00 1.03 C ATOM 574 OG SER A 89 -0.947 17.690 -5.171 1.00 1.58 O ATOM 0 H SER A 89 -2.014 13.492 -4.528 1.00 0.85 H new ATOM 0 HA SER A 89 -2.744 15.891 -5.805 1.00 0.95 H new ATOM 0 HB2 SER A 89 -2.032 16.896 -3.613 1.00 1.03 H new ATOM 0 HB3 SER A 89 -0.441 16.199 -3.846 1.00 1.03 H new ATOM 0 HG SER A 89 -0.560 18.387 -4.602 1.00 1.58 H new ATOM 580 N SER A 90 -1.030 15.090 -7.437 1.00 0.86 N ATOM 581 CA SER A 90 -0.127 14.510 -8.410 1.00 0.88 C ATOM 582 C SER A 90 1.052 15.436 -8.686 1.00 0.87 C ATOM 583 O SER A 90 0.909 16.460 -9.359 1.00 1.02 O ATOM 584 CB SER A 90 -0.881 14.210 -9.703 1.00 1.13 C ATOM 585 OG SER A 90 -1.996 13.366 -9.453 1.00 1.86 O ATOM 0 H SER A 90 -1.766 15.673 -7.835 1.00 0.86 H new ATOM 0 HA SER A 90 0.267 13.580 -8.001 1.00 0.88 H new ATOM 0 HB2 SER A 90 -1.219 15.142 -10.157 1.00 1.13 H new ATOM 0 HB3 SER A 90 -0.211 13.732 -10.418 1.00 1.13 H new ATOM 0 HG SER A 90 -2.466 13.187 -10.294 1.00 1.86 H new ATOM 591 N ILE A 91 2.210 15.078 -8.152 1.00 0.86 N ATOM 592 CA ILE A 91 3.435 15.806 -8.441 1.00 1.01 C ATOM 593 C ILE A 91 4.042 15.255 -9.734 1.00 1.09 C ATOM 594 O ILE A 91 4.280 14.052 -9.856 1.00 1.08 O ATOM 595 CB ILE A 91 4.434 15.734 -7.241 1.00 1.10 C ATOM 596 CG1 ILE A 91 5.746 16.493 -7.530 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.725 14.294 -6.850 1.00 1.07 C ATOM 598 CD1 ILE A 91 6.790 15.698 -8.297 1.00 1.45 C ATOM 0 H ILE A 91 2.327 14.288 -7.517 1.00 0.86 H new ATOM 0 HA ILE A 91 3.210 16.863 -8.583 1.00 1.01 H new ATOM 0 HB ILE A 91 3.948 16.228 -6.399 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.510 17.395 -8.095 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.179 16.814 -6.583 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.423 14.278 -6.013 1.00 1.07 H new ATOM 0 HG22 ILE A 91 3.797 13.802 -6.558 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.164 13.768 -7.698 1.00 1.07 H new ATOM 0 HD11 ILE A 91 7.675 16.315 -8.452 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.062 14.809 -7.727 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.383 15.399 -9.263 1.00 1.45 H new ATOM 610 N PRO A 92 4.265 16.132 -10.729 1.00 1.24 N ATOM 611 CA PRO A 92 4.696 15.733 -12.075 1.00 1.37 C ATOM 612 C PRO A 92 5.946 14.857 -12.072 1.00 1.47 C ATOM 613 O PRO A 92 7.014 15.274 -11.621 1.00 1.61 O ATOM 614 CB PRO A 92 4.980 17.064 -12.781 1.00 1.58 C ATOM 615 CG PRO A 92 5.041 18.084 -11.696 1.00 1.59 C ATOM 616 CD PRO A 92 4.121 17.590 -10.624 1.00 1.37 C ATOM 0 HA PRO A 92 3.935 15.127 -12.566 1.00 1.37 H new ATOM 0 HB2 PRO A 92 5.918 17.023 -13.334 1.00 1.58 H new ATOM 0 HB3 PRO A 92 4.196 17.302 -13.500 1.00 1.58 H new ATOM 0 HG2 PRO A 92 6.058 18.194 -11.319 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.728 19.062 -12.060 1.00 1.59 H new ATOM 0 HD2 PRO A 92 4.411 17.957 -9.639 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.093 17.909 -10.793 1.00 1.37 H new ATOM 624 N GLY A 93 5.799 13.646 -12.590 1.00 1.47 N ATOM 625 CA GLY A 93 6.905 12.713 -12.637 1.00 1.62 C ATOM 626 C GLY A 93 6.733 11.569 -11.658 1.00 1.58 C ATOM 627 O GLY A 93 7.211 10.459 -11.897 1.00 1.74 O ATOM 0 H GLY A 93 4.926 13.292 -12.981 1.00 1.47 H new ATOM 0 HA2 GLY A 93 6.998 12.313 -13.647 1.00 1.62 H new ATOM 0 HA3 GLY A 93 7.833 13.241 -12.416 1.00 1.62 H new ATOM 631 N ALA A 94 6.031 11.828 -10.565 1.00 1.40 N ATOM 632 CA ALA A 94 5.793 10.803 -9.560 1.00 1.40 C ATOM 633 C ALA A 94 4.305 10.508 -9.425 1.00 1.27 C ATOM 634 O ALA A 94 3.864 9.376 -9.626 1.00 1.38 O ATOM 635 CB ALA A 94 6.372 11.222 -8.221 1.00 1.41 C ATOM 0 H ALA A 94 5.618 12.736 -10.352 1.00 1.40 H new ATOM 0 HA ALA A 94 6.294 9.891 -9.885 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.184 10.442 -7.483 1.00 1.41 H new ATOM 0 HB2 ALA A 94 7.447 11.375 -8.321 1.00 1.41 H new ATOM 0 HB3 ALA A 94 5.902 12.150 -7.896 1.00 1.41 H new ATOM 641 N GLY A 95 3.539 11.537 -9.100 1.00 1.09 N ATOM 642 CA GLY A 95 2.113 11.383 -8.941 1.00 1.02 C ATOM 643 C GLY A 95 1.680 11.623 -7.512 1.00 0.91 C ATOM 644 O GLY A 95 2.160 12.552 -6.867 1.00 1.02 O ATOM 0 H GLY A 95 3.885 12.483 -8.943 1.00 1.09 H new ATOM 0 HA2 GLY A 95 1.596 12.081 -9.600 1.00 1.02 H new ATOM 0 HA3 GLY A 95 1.819 10.379 -9.246 1.00 1.02 H new ATOM 648 N LEU A 96 0.766 10.798 -7.028 1.00 0.79 N ATOM 649 CA LEU A 96 0.333 10.857 -5.637 1.00 0.70 C ATOM 650 C LEU A 96 1.415 10.303 -4.717 1.00 0.65 C ATOM 651 O LEU A 96 2.309 9.590 -5.172 1.00 0.99 O ATOM 652 CB LEU A 96 -0.996 10.103 -5.452 1.00 0.77 C ATOM 653 CG LEU A 96 -1.148 8.784 -6.230 1.00 1.35 C ATOM 654 CD1 LEU A 96 -0.185 7.720 -5.724 1.00 2.05 C ATOM 655 CD2 LEU A 96 -2.582 8.285 -6.142 1.00 2.31 C ATOM 0 H LEU A 96 0.306 10.074 -7.580 1.00 0.79 H new ATOM 0 HA LEU A 96 0.166 11.900 -5.368 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -1.123 9.890 -4.391 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.809 10.767 -5.744 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.902 8.982 -7.273 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -0.322 6.803 -6.297 1.00 2.05 H new ATOM 0 HD12 LEU A 96 0.840 8.072 -5.841 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -0.382 7.522 -4.670 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.677 7.351 -6.696 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -2.845 8.116 -5.098 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -3.253 9.030 -6.569 1.00 2.31 H new ATOM 667 N GLY A 97 1.361 10.656 -3.437 1.00 0.59 N ATOM 668 CA GLY A 97 2.336 10.152 -2.492 1.00 0.57 C ATOM 669 C GLY A 97 2.023 10.566 -1.068 1.00 0.52 C ATOM 670 O GLY A 97 1.043 11.269 -0.823 1.00 0.55 O ATOM 0 H GLY A 97 0.660 11.281 -3.039 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.369 9.064 -2.553 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.326 10.517 -2.765 1.00 0.57 H new ATOM 674 N VAL A 98 2.843 10.118 -0.125 1.00 0.48 N ATOM 675 CA VAL A 98 2.714 10.550 1.257 1.00 0.46 C ATOM 676 C VAL A 98 3.960 11.327 1.658 1.00 0.47 C ATOM 677 O VAL A 98 5.044 11.077 1.133 1.00 0.67 O ATOM 678 CB VAL A 98 2.474 9.375 2.248 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.393 8.440 1.727 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.754 8.606 2.546 1.00 0.53 C ATOM 0 H VAL A 98 3.602 9.458 -0.294 1.00 0.48 H new ATOM 0 HA VAL A 98 1.831 11.186 1.316 1.00 0.46 H new ATOM 0 HB VAL A 98 2.133 9.812 3.187 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.243 7.626 2.437 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.461 8.993 1.606 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.699 8.030 0.765 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.538 7.795 3.242 1.00 0.53 H new ATOM 0 HG22 VAL A 98 4.154 8.192 1.620 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.488 9.279 2.989 1.00 0.53 H new ATOM 690 N TRP A 99 3.797 12.293 2.544 1.00 0.38 N ATOM 691 CA TRP A 99 4.908 13.125 2.977 1.00 0.39 C ATOM 692 C TRP A 99 5.123 12.971 4.479 1.00 0.35 C ATOM 693 O TRP A 99 4.219 13.231 5.273 1.00 0.38 O ATOM 694 CB TRP A 99 4.640 14.593 2.626 1.00 0.44 C ATOM 695 CG TRP A 99 4.256 14.802 1.188 1.00 0.50 C ATOM 696 CD1 TRP A 99 3.083 15.321 0.719 1.00 0.66 C ATOM 697 CD2 TRP A 99 5.040 14.480 0.033 1.00 0.62 C ATOM 698 NE1 TRP A 99 3.095 15.347 -0.655 1.00 0.69 N ATOM 699 CE2 TRP A 99 4.284 14.835 -1.099 1.00 0.66 C ATOM 700 CE3 TRP A 99 6.308 13.930 -0.153 1.00 0.88 C ATOM 701 CZ2 TRP A 99 4.757 14.655 -2.398 1.00 0.82 C ATOM 702 CZ3 TRP A 99 6.778 13.750 -1.440 1.00 1.13 C ATOM 703 CH2 TRP A 99 6.003 14.112 -2.548 1.00 1.06 C ATOM 0 H TRP A 99 2.904 12.522 2.980 1.00 0.38 H new ATOM 0 HA TRP A 99 5.811 12.803 2.459 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.843 14.972 3.266 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.532 15.180 2.845 1.00 0.44 H new ATOM 0 HD1 TRP A 99 2.266 15.661 1.337 1.00 0.66 H new ATOM 0 HE1 TRP A 99 2.340 15.692 -1.248 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.914 13.649 0.696 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 4.161 14.934 -3.254 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 7.758 13.323 -1.593 1.00 1.13 H new ATOM 0 HH2 TRP A 99 6.397 13.959 -3.542 1.00 1.06 H new ATOM 714 N ALA A 100 6.308 12.522 4.859 1.00 0.39 N ATOM 715 CA ALA A 100 6.639 12.329 6.263 1.00 0.42 C ATOM 716 C ALA A 100 6.720 13.662 6.991 1.00 0.43 C ATOM 717 O ALA A 100 7.447 14.562 6.572 1.00 0.49 O ATOM 718 CB ALA A 100 7.953 11.574 6.401 1.00 0.54 C ATOM 0 H ALA A 100 7.060 12.283 4.213 1.00 0.39 H new ATOM 0 HA ALA A 100 5.845 11.738 6.719 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.185 11.438 7.457 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.865 10.599 5.921 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.751 12.143 5.924 1.00 0.54 H new ATOM 724 N LYS A 101 5.961 13.792 8.076 1.00 0.47 N ATOM 725 CA LYS A 101 6.009 14.997 8.889 1.00 0.57 C ATOM 726 C LYS A 101 7.096 14.874 9.954 1.00 0.56 C ATOM 727 O LYS A 101 7.309 15.790 10.748 1.00 0.63 O ATOM 728 CB LYS A 101 4.654 15.281 9.550 1.00 0.69 C ATOM 729 CG LYS A 101 4.195 14.198 10.512 1.00 1.17 C ATOM 730 CD LYS A 101 3.232 13.221 9.857 1.00 0.84 C ATOM 731 CE LYS A 101 1.864 13.831 9.654 1.00 0.88 C ATOM 732 NZ LYS A 101 0.823 12.811 9.355 1.00 1.68 N ATOM 0 H LYS A 101 5.310 13.081 8.409 1.00 0.47 H new ATOM 0 HA LYS A 101 6.245 15.833 8.231 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.715 16.227 10.087 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.901 15.404 8.772 1.00 0.69 H new ATOM 0 HG2 LYS A 101 5.063 13.655 10.886 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.712 14.660 11.373 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.635 12.904 8.895 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.143 12.328 10.476 1.00 0.84 H new ATOM 0 HE2 LYS A 101 1.580 14.384 10.550 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.908 14.550 8.836 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.320 13.073 8.483 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.273 11.882 9.229 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 0.147 12.764 10.144 1.00 1.68 H new ATOM 746 N ARG A 102 7.773 13.733 9.978 1.00 0.54 N ATOM 747 CA ARG A 102 8.915 13.540 10.860 1.00 0.58 C ATOM 748 C ARG A 102 10.119 13.099 10.039 1.00 0.54 C ATOM 749 O ARG A 102 9.964 12.489 8.981 1.00 0.54 O ATOM 750 CB ARG A 102 8.631 12.485 11.939 1.00 0.72 C ATOM 751 CG ARG A 102 9.726 12.417 12.993 1.00 0.83 C ATOM 752 CD ARG A 102 9.640 11.161 13.838 1.00 1.16 C ATOM 753 NE ARG A 102 8.529 11.188 14.784 1.00 1.80 N ATOM 754 CZ ARG A 102 8.667 11.137 16.110 1.00 2.52 C ATOM 755 NH1 ARG A 102 9.877 11.120 16.663 1.00 2.75 N ATOM 756 NH2 ARG A 102 7.587 11.101 16.883 1.00 3.50 N ATOM 0 H ARG A 102 7.550 12.926 9.395 1.00 0.54 H new ATOM 0 HA ARG A 102 9.116 14.489 11.357 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.680 12.711 12.422 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.524 11.508 11.468 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.699 12.456 12.504 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.658 13.292 13.640 1.00 0.83 H new ATOM 0 HD2 ARG A 102 9.533 10.296 13.184 1.00 1.16 H new ATOM 0 HD3 ARG A 102 10.574 11.033 14.385 1.00 1.16 H new ATOM 0 HE ARG A 102 7.584 11.250 14.406 1.00 1.80 H new ATOM 0 HH11 ARG A 102 10.708 11.146 16.072 1.00 2.75 H new ATOM 0 HH12 ARG A 102 9.973 11.081 17.678 1.00 2.75 H new ATOM 0 HH21 ARG A 102 6.658 11.112 16.462 1.00 3.50 H new ATOM 0 HH22 ARG A 102 7.687 11.062 17.897 1.00 3.50 H new ATOM 770 N LYS A 103 11.310 13.410 10.528 1.00 0.59 N ATOM 771 CA LYS A 103 12.538 12.986 9.889 1.00 0.63 C ATOM 772 C LYS A 103 12.815 11.512 10.175 1.00 0.68 C ATOM 773 O LYS A 103 12.279 10.944 11.126 1.00 0.82 O ATOM 774 CB LYS A 103 13.709 13.866 10.359 1.00 0.73 C ATOM 775 CG LYS A 103 13.673 14.254 11.838 1.00 0.98 C ATOM 776 CD LYS A 103 13.608 13.049 12.762 1.00 1.17 C ATOM 777 CE LYS A 103 14.915 12.267 12.787 1.00 2.05 C ATOM 778 NZ LYS A 103 16.049 13.055 13.339 1.00 2.40 N ATOM 0 H LYS A 103 11.448 13.961 11.375 1.00 0.59 H new ATOM 0 HA LYS A 103 12.429 13.102 8.811 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.642 13.339 10.160 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.723 14.777 9.760 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.560 14.841 12.076 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.809 14.893 12.020 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.367 13.381 13.772 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.800 12.391 12.441 1.00 1.17 H new ATOM 0 HE2 LYS A 103 14.782 11.365 13.384 1.00 2.05 H new ATOM 0 HE3 LYS A 103 15.160 11.946 11.775 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 16.817 12.411 13.617 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 16.397 13.716 12.616 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 15.728 13.590 14.171 1.00 2.40 H new ATOM 792 N MET A 104 13.637 10.897 9.349 1.00 0.73 N ATOM 793 CA MET A 104 14.044 9.517 9.567 1.00 0.83 C ATOM 794 C MET A 104 15.538 9.375 9.376 1.00 0.87 C ATOM 795 O MET A 104 16.148 10.153 8.644 1.00 0.93 O ATOM 796 CB MET A 104 13.297 8.566 8.634 1.00 0.85 C ATOM 797 CG MET A 104 11.884 8.266 9.093 1.00 0.97 C ATOM 798 SD MET A 104 10.956 7.286 7.906 1.00 1.22 S ATOM 799 CE MET A 104 10.990 8.391 6.498 1.00 0.92 C ATOM 0 H MET A 104 14.039 11.330 8.517 1.00 0.73 H new ATOM 0 HA MET A 104 13.791 9.249 10.593 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.263 9.000 7.635 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.853 7.632 8.557 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.921 7.735 10.044 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.359 9.204 9.272 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.986 8.485 6.085 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.346 9.372 6.814 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.659 7.990 5.737 1.00 0.92 H new ATOM 809 N GLU A 105 16.118 8.404 10.059 1.00 0.90 N ATOM 810 CA GLU A 105 17.550 8.175 10.012 1.00 0.93 C ATOM 811 C GLU A 105 17.835 6.702 9.742 1.00 0.89 C ATOM 812 O GLU A 105 17.122 5.826 10.242 1.00 1.13 O ATOM 813 CB GLU A 105 18.181 8.628 11.328 1.00 1.08 C ATOM 814 CG GLU A 105 17.962 10.105 11.609 1.00 1.64 C ATOM 815 CD GLU A 105 18.498 10.542 12.950 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.686 10.833 13.852 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.738 10.574 13.119 1.00 2.31 O ATOM 0 H GLU A 105 15.611 7.754 10.660 1.00 0.90 H new ATOM 0 HA GLU A 105 17.989 8.755 9.200 1.00 0.93 H new ATOM 0 HB2 GLU A 105 17.764 8.041 12.146 1.00 1.08 H new ATOM 0 HB3 GLU A 105 19.251 8.423 11.302 1.00 1.08 H new ATOM 0 HG2 GLU A 105 18.441 10.692 10.825 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.895 10.322 11.563 1.00 1.64 H new ATOM 824 N ALA A 106 18.907 6.461 8.980 1.00 0.78 N ATOM 825 CA ALA A 106 19.241 5.143 8.426 1.00 0.78 C ATOM 826 C ALA A 106 18.930 3.989 9.374 1.00 0.76 C ATOM 827 O ALA A 106 19.456 3.919 10.488 1.00 0.78 O ATOM 828 CB ALA A 106 20.707 5.107 8.028 1.00 0.84 C ATOM 0 H ALA A 106 19.578 7.187 8.726 1.00 0.78 H new ATOM 0 HA ALA A 106 18.607 5.003 7.550 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.949 4.127 7.618 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.899 5.872 7.276 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.327 5.296 8.904 1.00 0.84 H new ATOM 834 N GLY A 107 18.080 3.085 8.911 1.00 0.83 N ATOM 835 CA GLY A 107 17.688 1.942 9.710 1.00 0.91 C ATOM 836 C GLY A 107 16.205 1.956 10.008 1.00 0.87 C ATOM 837 O GLY A 107 15.703 1.144 10.786 1.00 1.04 O ATOM 0 H GLY A 107 17.651 3.124 7.987 1.00 0.83 H new ATOM 0 HA2 GLY A 107 17.946 1.023 9.183 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.248 1.941 10.645 1.00 0.91 H new ATOM 841 N GLU A 108 15.507 2.890 9.385 1.00 0.71 N ATOM 842 CA GLU A 108 14.078 3.046 9.571 1.00 0.74 C ATOM 843 C GLU A 108 13.308 2.086 8.663 1.00 0.61 C ATOM 844 O GLU A 108 13.867 1.517 7.721 1.00 0.61 O ATOM 845 CB GLU A 108 13.657 4.495 9.292 1.00 0.87 C ATOM 846 CG GLU A 108 13.918 4.967 7.865 1.00 0.85 C ATOM 847 CD GLU A 108 15.366 5.330 7.590 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.179 4.409 7.400 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.693 6.538 7.577 1.00 2.13 O ATOM 0 H GLU A 108 15.917 3.561 8.736 1.00 0.71 H new ATOM 0 HA GLU A 108 13.839 2.806 10.607 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.593 4.598 9.506 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.187 5.153 9.981 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.613 4.183 7.172 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.291 5.835 7.660 1.00 0.85 H new ATOM 856 N ARG A 109 12.028 1.897 8.956 1.00 0.63 N ATOM 857 CA ARG A 109 11.193 0.985 8.188 1.00 0.56 C ATOM 858 C ARG A 109 9.766 1.501 8.105 1.00 0.46 C ATOM 859 O ARG A 109 9.174 1.868 9.120 1.00 0.55 O ATOM 860 CB ARG A 109 11.214 -0.409 8.829 1.00 0.73 C ATOM 861 CG ARG A 109 10.248 -1.402 8.194 1.00 0.80 C ATOM 862 CD ARG A 109 9.018 -1.633 9.061 1.00 1.22 C ATOM 863 NE ARG A 109 9.367 -2.114 10.398 1.00 2.02 N ATOM 864 CZ ARG A 109 8.534 -2.108 11.440 1.00 2.71 C ATOM 865 NH1 ARG A 109 7.285 -1.676 11.303 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.951 -2.547 12.618 1.00 3.62 N ATOM 0 H ARG A 109 11.545 2.365 9.723 1.00 0.63 H new ATOM 0 HA ARG A 109 11.593 0.920 7.176 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.225 -0.811 8.765 1.00 0.73 H new ATOM 0 HB3 ARG A 109 10.975 -0.313 9.888 1.00 0.73 H new ATOM 0 HG2 ARG A 109 9.939 -1.033 7.216 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.759 -2.351 8.029 1.00 0.80 H new ATOM 0 HD2 ARG A 109 8.456 -0.703 9.146 1.00 1.22 H new ATOM 0 HD3 ARG A 109 8.364 -2.357 8.575 1.00 1.22 H new ATOM 0 HE ARG A 109 10.309 -2.478 10.543 1.00 2.02 H new ATOM 0 HH11 ARG A 109 6.956 -1.345 10.396 1.00 2.91 H new ATOM 0 HH12 ARG A 109 6.655 -1.675 12.105 1.00 2.91 H new ATOM 0 HH21 ARG A 109 9.906 -2.888 12.726 1.00 3.62 H new ATOM 0 HH22 ARG A 109 8.317 -2.544 13.417 1.00 3.62 H new ATOM 880 N LEU A 110 9.215 1.525 6.899 1.00 0.38 N ATOM 881 CA LEU A 110 7.820 1.902 6.723 1.00 0.39 C ATOM 882 C LEU A 110 6.966 0.648 6.653 1.00 0.49 C ATOM 883 O LEU A 110 7.349 -0.339 6.018 1.00 0.53 O ATOM 884 CB LEU A 110 7.589 2.726 5.448 1.00 0.35 C ATOM 885 CG LEU A 110 8.507 3.930 5.214 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.810 4.934 4.309 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.914 4.594 6.519 1.00 0.41 C ATOM 0 H LEU A 110 9.707 1.291 6.037 1.00 0.38 H new ATOM 0 HA LEU A 110 7.543 2.521 7.576 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.685 2.058 4.592 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.559 3.084 5.459 1.00 0.35 H new ATOM 0 HG LEU A 110 9.417 3.571 4.734 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.464 5.790 4.143 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.579 4.463 3.353 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.886 5.269 4.781 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.564 5.443 6.308 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.024 4.941 7.044 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.446 3.875 7.142 1.00 0.41 H new ATOM 899 N GLY A 111 5.820 0.682 7.310 1.00 0.61 N ATOM 900 CA GLY A 111 4.907 -0.438 7.258 1.00 0.77 C ATOM 901 C GLY A 111 5.257 -1.522 8.258 1.00 0.88 C ATOM 902 O GLY A 111 5.278 -1.260 9.460 1.00 1.02 O ATOM 0 H GLY A 111 5.504 1.467 7.880 1.00 0.61 H new ATOM 0 HA2 GLY A 111 3.894 -0.085 7.450 1.00 0.77 H new ATOM 0 HA3 GLY A 111 4.913 -0.860 6.253 1.00 0.77 H new ATOM 906 N PRO A 112 5.593 -2.745 7.803 1.00 1.23 N ATOM 907 CA PRO A 112 5.761 -3.083 6.377 1.00 1.24 C ATOM 908 C PRO A 112 4.460 -3.018 5.571 1.00 1.05 C ATOM 909 O PRO A 112 3.371 -2.930 6.135 1.00 1.19 O ATOM 910 CB PRO A 112 6.289 -4.527 6.403 1.00 1.78 C ATOM 911 CG PRO A 112 6.718 -4.770 7.811 1.00 2.10 C ATOM 912 CD PRO A 112 5.829 -3.912 8.660 1.00 1.83 C ATOM 0 HA PRO A 112 6.424 -2.369 5.888 1.00 1.24 H new ATOM 0 HB2 PRO A 112 5.515 -5.233 6.101 1.00 1.78 H new ATOM 0 HB3 PRO A 112 7.122 -4.653 5.712 1.00 1.78 H new ATOM 0 HG2 PRO A 112 6.615 -5.822 8.076 1.00 2.10 H new ATOM 0 HG3 PRO A 112 7.766 -4.507 7.952 1.00 2.10 H new ATOM 0 HD2 PRO A 112 4.900 -4.421 8.916 1.00 1.83 H new ATOM 0 HD3 PRO A 112 6.310 -3.635 9.598 1.00 1.83 H new ATOM 920 N CYS A 113 4.590 -3.055 4.248 1.00 1.00 N ATOM 921 CA CYS A 113 3.436 -2.984 3.360 1.00 1.00 C ATOM 922 C CYS A 113 2.604 -4.250 3.481 1.00 1.17 C ATOM 923 O CYS A 113 1.375 -4.206 3.482 1.00 1.67 O ATOM 924 CB CYS A 113 3.894 -2.780 1.912 1.00 1.05 C ATOM 925 SG CYS A 113 2.552 -2.565 0.721 1.00 2.00 S ATOM 0 H CYS A 113 5.486 -3.134 3.767 1.00 1.00 H new ATOM 0 HA CYS A 113 2.819 -2.134 3.651 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.543 -1.905 1.870 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.495 -3.638 1.611 1.00 1.05 H new ATOM 0 HG CYS A 113 1.786 -1.586 1.102 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.863 -1.098 5.050 1.00 1.30 N ATOM 1693 CA GLY A 166 0.087 -1.556 4.054 1.00 1.24 C ATOM 1694 C GLY A 166 -0.119 -0.931 2.688 1.00 1.03 C ATOM 1695 O GLY A 166 0.829 -0.440 2.075 1.00 1.05 O ATOM 0 HA2 GLY A 166 1.097 -1.334 4.398 1.00 1.24 H new ATOM 0 HA3 GLY A 166 0.012 -2.640 3.964 1.00 1.24 H new ATOM 1699 N SER A 167 -1.358 -0.942 2.220 1.00 0.98 N ATOM 1700 CA SER A 167 -1.701 -0.445 0.892 1.00 0.99 C ATOM 1701 C SER A 167 -1.329 1.032 0.722 1.00 0.78 C ATOM 1702 O SER A 167 -1.106 1.500 -0.392 1.00 0.86 O ATOM 1703 CB SER A 167 -3.199 -0.658 0.642 1.00 1.17 C ATOM 1704 OG SER A 167 -3.560 -0.310 -0.683 1.00 1.82 O ATOM 0 H SER A 167 -2.156 -1.295 2.749 1.00 0.98 H new ATOM 0 HA SER A 167 -1.124 -1.005 0.156 1.00 0.99 H new ATOM 0 HB2 SER A 167 -3.455 -1.701 0.828 1.00 1.17 H new ATOM 0 HB3 SER A 167 -3.775 -0.058 1.346 1.00 1.17 H new ATOM 0 HG SER A 167 -4.520 -0.459 -0.810 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.227 1.753 1.836 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.901 3.179 1.806 1.00 0.51 C ATOM 1712 C TRP A 168 0.509 3.415 1.268 1.00 0.42 C ATOM 1713 O TRP A 168 0.852 4.521 0.853 1.00 0.43 O ATOM 1714 CB TRP A 168 -1.027 3.788 3.208 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.047 3.238 4.208 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.134 2.053 4.880 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.163 3.863 4.662 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.950 1.896 5.709 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.759 2.995 5.596 1.00 0.56 C ATOM 1720 CE3 TRP A 168 1.803 5.071 4.364 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 2.960 3.296 6.233 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 2.993 5.370 5.000 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.561 4.486 5.925 1.00 0.50 C ATOM 0 H TRP A 168 -1.365 1.374 2.773 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.611 3.665 1.137 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.890 4.867 3.137 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -2.039 3.619 3.576 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.939 1.341 4.775 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.124 1.091 6.311 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.374 5.758 3.649 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.402 2.614 6.945 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.493 6.301 4.780 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.492 4.749 6.405 1.00 0.50 H new ATOM 1734 N LEU A 169 1.317 2.367 1.262 1.00 0.41 N ATOM 1735 CA LEU A 169 2.706 2.478 0.853 1.00 0.38 C ATOM 1736 C LEU A 169 2.861 2.484 -0.662 1.00 0.39 C ATOM 1737 O LEU A 169 3.921 2.837 -1.170 1.00 0.41 O ATOM 1738 CB LEU A 169 3.539 1.363 1.484 1.00 0.44 C ATOM 1739 CG LEU A 169 3.880 1.584 2.957 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.570 0.367 3.544 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.764 2.810 3.116 1.00 0.55 C ATOM 0 H LEU A 169 1.032 1.427 1.537 1.00 0.41 H new ATOM 0 HA LEU A 169 3.077 3.438 1.212 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.997 0.422 1.387 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.466 1.256 0.921 1.00 0.44 H new ATOM 0 HG LEU A 169 2.948 1.745 3.499 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.802 0.551 4.593 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.912 -0.498 3.464 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.493 0.173 2.997 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.999 2.955 4.170 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.688 2.668 2.555 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.241 3.688 2.737 1.00 0.55 H new ATOM 1753 N LYS A 170 1.811 2.112 -1.395 1.00 0.44 N ATOM 1754 CA LYS A 170 1.884 2.141 -2.853 1.00 0.52 C ATOM 1755 C LYS A 170 1.906 3.586 -3.343 1.00 0.50 C ATOM 1756 O LYS A 170 2.211 3.860 -4.504 1.00 0.61 O ATOM 1757 CB LYS A 170 0.723 1.346 -3.499 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.652 2.021 -3.474 1.00 0.74 C ATOM 1759 CD LYS A 170 -0.820 3.019 -4.617 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.255 3.509 -4.745 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.150 2.472 -5.331 1.00 1.48 N ATOM 0 H LYS A 170 0.920 1.794 -1.013 1.00 0.44 H new ATOM 0 HA LYS A 170 2.810 1.654 -3.160 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.985 1.139 -4.537 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.642 0.384 -2.993 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.430 1.261 -3.539 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.787 2.534 -2.522 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.160 3.871 -4.453 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.512 2.552 -5.553 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.629 3.797 -3.762 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.278 4.402 -5.369 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.093 2.879 -5.495 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.754 2.142 -6.234 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.229 1.670 -4.674 1.00 1.48 H new ATOM 1775 N TYR A 171 1.587 4.507 -2.438 1.00 0.45 N ATOM 1776 CA TYR A 171 1.540 5.923 -2.763 1.00 0.52 C ATOM 1777 C TYR A 171 2.930 6.472 -3.059 1.00 0.53 C ATOM 1778 O TYR A 171 3.086 7.309 -3.938 1.00 0.68 O ATOM 1779 CB TYR A 171 0.899 6.719 -1.621 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.614 6.686 -1.612 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.361 7.759 -2.076 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.296 5.569 -1.144 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.742 7.722 -2.076 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.675 5.523 -1.139 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.396 6.648 -1.587 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.770 6.559 -1.604 1.00 1.97 O ATOM 0 H TYR A 171 1.356 4.292 -1.468 1.00 0.45 H new ATOM 0 HA TYR A 171 0.930 6.032 -3.660 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.265 6.329 -0.671 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.228 7.756 -1.687 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.854 8.639 -2.444 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.736 4.721 -0.777 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.301 8.558 -2.470 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.193 4.639 -0.797 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.048 5.707 -1.207 1.00 1.97 H new ATOM 1796 N ILE A 172 3.942 6.000 -2.342 1.00 0.43 N ATOM 1797 CA ILE A 172 5.293 6.497 -2.561 1.00 0.46 C ATOM 1798 C ILE A 172 5.806 6.027 -3.915 1.00 0.56 C ATOM 1799 O ILE A 172 5.783 4.833 -4.222 1.00 0.67 O ATOM 1800 CB ILE A 172 6.289 6.085 -1.451 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.571 5.374 -0.286 1.00 0.42 C ATOM 1802 CG2 ILE A 172 7.052 7.311 -0.967 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.118 5.700 1.091 1.00 0.54 C ATOM 0 H ILE A 172 3.856 5.287 -1.617 1.00 0.43 H new ATOM 0 HA ILE A 172 5.230 7.585 -2.535 1.00 0.46 H new ATOM 0 HB ILE A 172 7.000 5.371 -1.867 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.514 5.638 -0.314 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.635 4.297 -0.441 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.753 7.018 -0.185 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.601 7.750 -1.800 1.00 0.57 H new ATOM 0 HG23 ILE A 172 6.349 8.043 -0.569 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.552 5.155 1.846 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.167 5.409 1.144 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.029 6.771 1.274 1.00 0.54 H new ATOM 1815 N ARG A 173 6.225 6.978 -4.739 1.00 0.71 N ATOM 1816 CA ARG A 173 6.680 6.677 -6.088 1.00 0.92 C ATOM 1817 C ARG A 173 8.176 6.937 -6.226 1.00 0.69 C ATOM 1818 O ARG A 173 8.876 7.109 -5.226 1.00 0.61 O ATOM 1819 CB ARG A 173 5.900 7.508 -7.113 1.00 1.38 C ATOM 1820 CG ARG A 173 4.396 7.245 -7.129 1.00 1.82 C ATOM 1821 CD ARG A 173 4.059 5.851 -7.650 1.00 2.22 C ATOM 1822 NE ARG A 173 4.482 4.798 -6.728 1.00 2.79 N ATOM 1823 CZ ARG A 173 4.815 3.562 -7.096 1.00 3.52 C ATOM 1824 NH1 ARG A 173 4.750 3.198 -8.374 1.00 3.84 N ATOM 1825 NH2 ARG A 173 5.214 2.693 -6.179 1.00 4.34 N ATOM 0 H ARG A 173 6.259 7.968 -4.495 1.00 0.71 H new ATOM 0 HA ARG A 173 6.496 5.620 -6.281 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.069 8.565 -6.909 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.302 7.307 -8.106 1.00 1.38 H new ATOM 0 HG2 ARG A 173 3.998 7.360 -6.121 1.00 1.82 H new ATOM 0 HG3 ARG A 173 3.905 7.992 -7.752 1.00 1.82 H new ATOM 0 HD2 ARG A 173 2.984 5.777 -7.815 1.00 2.22 H new ATOM 0 HD3 ARG A 173 4.540 5.700 -8.616 1.00 2.22 H new ATOM 0 HE ARG A 173 4.525 5.026 -5.735 1.00 2.79 H new ATOM 0 HH11 ARG A 173 4.443 3.867 -9.080 1.00 3.84 H new ATOM 0 HH12 ARG A 173 5.007 2.250 -8.648 1.00 3.84 H new ATOM 0 HH21 ARG A 173 5.264 2.972 -5.199 1.00 4.34 H new ATOM 0 HH22 ARG A 173 5.471 1.745 -6.453 1.00 4.34 H new ATOM 1839 N VAL A 174 8.662 6.969 -7.462 1.00 0.70 N ATOM 1840 CA VAL A 174 10.084 7.150 -7.728 1.00 0.63 C ATOM 1841 C VAL A 174 10.500 8.597 -7.463 1.00 0.55 C ATOM 1842 O VAL A 174 9.688 9.517 -7.573 1.00 0.62 O ATOM 1843 CB VAL A 174 10.433 6.777 -9.190 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.938 6.633 -9.373 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.721 5.499 -9.609 1.00 1.07 C ATOM 0 H VAL A 174 8.088 6.871 -8.300 1.00 0.70 H new ATOM 0 HA VAL A 174 10.629 6.486 -7.057 1.00 0.63 H new ATOM 0 HB VAL A 174 10.088 7.588 -9.831 1.00 0.73 H new ATOM 0 HG11 VAL A 174 12.155 6.371 -10.408 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.426 7.576 -9.127 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.311 5.849 -8.714 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.982 5.258 -10.639 1.00 1.07 H new ATOM 0 HG22 VAL A 174 10.027 4.681 -8.956 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.643 5.641 -9.532 1.00 1.07 H new ATOM 1855 N ALA A 175 11.767 8.783 -7.101 1.00 0.53 N ATOM 1856 CA ALA A 175 12.300 10.108 -6.812 1.00 0.57 C ATOM 1857 C ALA A 175 12.282 10.986 -8.054 1.00 0.52 C ATOM 1858 O ALA A 175 12.689 10.562 -9.139 1.00 0.57 O ATOM 1859 CB ALA A 175 13.715 10.004 -6.263 1.00 0.71 C ATOM 0 H ALA A 175 12.445 8.028 -7.001 1.00 0.53 H new ATOM 0 HA ALA A 175 11.663 10.570 -6.058 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.098 11.003 -6.053 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.707 9.418 -5.344 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.356 9.517 -6.998 1.00 0.71 H new ATOM 1865 N CYS A 176 11.820 12.211 -7.875 1.00 0.62 N ATOM 1866 CA CYS A 176 11.691 13.164 -8.965 1.00 0.69 C ATOM 1867 C CYS A 176 13.051 13.781 -9.292 1.00 0.68 C ATOM 1868 O CYS A 176 13.226 14.434 -10.322 1.00 0.84 O ATOM 1869 CB CYS A 176 10.686 14.250 -8.576 1.00 0.85 C ATOM 1870 SG CYS A 176 10.169 15.314 -9.941 1.00 1.88 S ATOM 0 H CYS A 176 11.523 12.574 -6.969 1.00 0.62 H new ATOM 0 HA CYS A 176 11.329 12.649 -9.855 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.803 13.774 -8.148 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.125 14.870 -7.794 1.00 0.85 H new ATOM 0 HG CYS A 176 11.162 15.478 -10.764 1.00 1.88 H new ATOM 1876 N SER A 177 14.012 13.563 -8.409 1.00 0.63 N ATOM 1877 CA SER A 177 15.372 14.027 -8.622 1.00 0.71 C ATOM 1878 C SER A 177 16.341 12.854 -8.491 1.00 0.65 C ATOM 1879 O SER A 177 16.168 11.985 -7.636 1.00 0.66 O ATOM 1880 CB SER A 177 15.719 15.120 -7.609 1.00 0.88 C ATOM 1881 OG SER A 177 14.814 16.211 -7.698 1.00 1.63 O ATOM 0 H SER A 177 13.873 13.063 -7.531 1.00 0.63 H new ATOM 0 HA SER A 177 15.456 14.445 -9.625 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.695 14.706 -6.601 1.00 0.88 H new ATOM 0 HB3 SER A 177 16.735 15.472 -7.785 1.00 0.88 H new ATOM 0 HG SER A 177 15.058 16.893 -7.038 1.00 1.63 H new ATOM 1887 N CYS A 178 17.353 12.835 -9.346 1.00 0.71 N ATOM 1888 CA CYS A 178 18.309 11.735 -9.394 1.00 0.76 C ATOM 1889 C CYS A 178 19.345 11.856 -8.282 1.00 0.71 C ATOM 1890 O CYS A 178 20.012 10.885 -7.935 1.00 0.77 O ATOM 1891 CB CYS A 178 18.994 11.704 -10.758 1.00 1.00 C ATOM 1892 SG CYS A 178 17.842 11.584 -12.145 1.00 1.96 S ATOM 0 H CYS A 178 17.535 13.576 -10.023 1.00 0.71 H new ATOM 0 HA CYS A 178 17.767 10.802 -9.243 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.596 12.606 -10.873 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.679 10.857 -10.792 1.00 1.00 H new ATOM 0 HG CYS A 178 18.508 11.566 -13.262 1.00 1.96 H new ATOM 1898 N ASP A 179 19.483 13.056 -7.736 1.00 0.76 N ATOM 1899 CA ASP A 179 20.356 13.272 -6.586 1.00 0.88 C ATOM 1900 C ASP A 179 19.581 13.057 -5.293 1.00 0.82 C ATOM 1901 O ASP A 179 20.114 13.218 -4.195 1.00 0.99 O ATOM 1902 CB ASP A 179 20.947 14.684 -6.606 1.00 1.08 C ATOM 1903 CG ASP A 179 19.908 15.766 -6.383 1.00 1.81 C ATOM 1904 OD1 ASP A 179 19.266 16.192 -7.366 1.00 2.40 O ATOM 1905 OD2 ASP A 179 19.716 16.179 -5.218 1.00 2.42 O ATOM 0 H ASP A 179 19.004 13.893 -8.068 1.00 0.76 H new ATOM 0 HA ASP A 179 21.174 12.554 -6.641 1.00 0.88 H new ATOM 0 HB2 ASP A 179 21.715 14.761 -5.836 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.439 14.852 -7.564 1.00 1.08 H new ATOM 1910 N ASP A 180 18.318 12.691 -5.439 1.00 0.70 N ATOM 1911 CA ASP A 180 17.426 12.521 -4.302 1.00 0.75 C ATOM 1912 C ASP A 180 17.084 11.044 -4.109 1.00 0.60 C ATOM 1913 O ASP A 180 16.133 10.694 -3.409 1.00 0.64 O ATOM 1914 CB ASP A 180 16.164 13.363 -4.511 1.00 0.92 C ATOM 1915 CG ASP A 180 15.334 13.528 -3.254 1.00 1.41 C ATOM 1916 OD1 ASP A 180 14.116 13.250 -3.299 1.00 2.12 O ATOM 1917 OD2 ASP A 180 15.901 13.903 -2.211 1.00 1.55 O ATOM 0 H ASP A 180 17.884 12.504 -6.343 1.00 0.70 H new ATOM 0 HA ASP A 180 17.924 12.864 -3.395 1.00 0.75 H new ATOM 0 HB2 ASP A 180 16.451 14.348 -4.880 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.551 12.899 -5.284 1.00 0.92 H new ATOM 1922 N GLN A 181 17.872 10.176 -4.747 1.00 0.51 N ATOM 1923 CA GLN A 181 17.652 8.732 -4.667 1.00 0.46 C ATOM 1924 C GLN A 181 17.769 8.250 -3.226 1.00 0.46 C ATOM 1925 O GLN A 181 18.828 8.359 -2.604 1.00 0.56 O ATOM 1926 CB GLN A 181 18.661 7.979 -5.541 1.00 0.56 C ATOM 1927 CG GLN A 181 18.576 8.337 -7.016 1.00 0.62 C ATOM 1928 CD GLN A 181 17.294 7.863 -7.683 1.00 0.70 C ATOM 1929 OE1 GLN A 181 16.773 8.520 -8.584 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.792 6.705 -7.275 1.00 0.98 N ATOM 0 H GLN A 181 18.668 10.449 -5.324 1.00 0.51 H new ATOM 0 HA GLN A 181 16.645 8.528 -5.032 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.668 8.190 -5.182 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.500 6.907 -5.426 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.654 9.419 -7.124 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.429 7.902 -7.537 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.250 6.187 -6.525 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.948 6.333 -7.711 1.00 0.98 H new ATOM 1939 N ASN A 182 16.673 7.733 -2.702 1.00 0.40 N ATOM 1940 CA ASN A 182 16.624 7.249 -1.337 1.00 0.41 C ATOM 1941 C ASN A 182 15.539 6.175 -1.220 1.00 0.36 C ATOM 1942 O ASN A 182 14.903 6.003 -0.188 1.00 0.42 O ATOM 1943 CB ASN A 182 16.374 8.445 -0.402 1.00 0.49 C ATOM 1944 CG ASN A 182 16.256 8.079 1.063 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.242 7.782 1.729 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.049 8.156 1.579 1.00 0.93 N ATOM 0 H ASN A 182 15.794 7.637 -3.210 1.00 0.40 H new ATOM 0 HA ASN A 182 17.568 6.787 -1.046 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.188 9.160 -0.521 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.459 8.949 -0.713 1.00 0.49 H new ATOM 0 HD21 ASN A 182 14.905 7.965 2.571 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.257 8.407 0.988 1.00 0.93 H new ATOM 1953 N LEU A 183 15.362 5.422 -2.295 1.00 0.34 N ATOM 1954 CA LEU A 183 14.268 4.467 -2.382 1.00 0.35 C ATOM 1955 C LEU A 183 14.801 3.060 -2.622 1.00 0.36 C ATOM 1956 O LEU A 183 15.480 2.805 -3.616 1.00 0.39 O ATOM 1957 CB LEU A 183 13.297 4.843 -3.515 1.00 0.39 C ATOM 1958 CG LEU A 183 13.230 6.329 -3.870 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.344 6.712 -4.824 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.886 6.682 -4.476 1.00 0.81 C ATOM 0 H LEU A 183 15.962 5.454 -3.119 1.00 0.34 H new ATOM 0 HA LEU A 183 13.732 4.493 -1.433 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.580 4.288 -4.409 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.297 4.510 -3.236 1.00 0.39 H new ATOM 0 HG LEU A 183 13.355 6.893 -2.946 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.272 7.774 -5.060 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.308 6.508 -4.358 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.254 6.130 -5.741 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.864 7.744 -4.719 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.732 6.099 -5.384 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.094 6.457 -3.761 1.00 0.81 H new ATOM 1972 N THR A 184 14.494 2.150 -1.716 1.00 0.37 N ATOM 1973 CA THR A 184 14.904 0.767 -1.866 1.00 0.41 C ATOM 1974 C THR A 184 13.824 -0.179 -1.357 1.00 0.41 C ATOM 1975 O THR A 184 13.406 -0.109 -0.200 1.00 0.45 O ATOM 1976 CB THR A 184 16.237 0.497 -1.140 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.295 1.200 -1.805 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.558 -0.989 -1.090 1.00 0.49 C ATOM 0 H THR A 184 13.962 2.344 -0.868 1.00 0.37 H new ATOM 0 HA THR A 184 15.053 0.583 -2.930 1.00 0.41 H new ATOM 0 HB THR A 184 16.141 0.851 -0.114 1.00 0.45 H new ATOM 0 HG1 THR A 184 18.142 1.030 -1.343 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.505 -1.139 -0.571 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.765 -1.515 -0.558 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.635 -1.379 -2.105 1.00 0.49 H new ATOM 1986 N MET A 185 13.365 -1.051 -2.239 1.00 0.49 N ATOM 1987 CA MET A 185 12.366 -2.036 -1.884 1.00 0.51 C ATOM 1988 C MET A 185 13.040 -3.322 -1.441 1.00 0.60 C ATOM 1989 O MET A 185 13.898 -3.855 -2.145 1.00 0.90 O ATOM 1990 CB MET A 185 11.444 -2.322 -3.067 1.00 0.77 C ATOM 1991 CG MET A 185 10.275 -3.225 -2.711 1.00 1.01 C ATOM 1992 SD MET A 185 9.175 -2.473 -1.498 1.00 1.35 S ATOM 1993 CE MET A 185 8.593 -1.046 -2.409 1.00 1.03 C ATOM 0 H MET A 185 13.673 -1.094 -3.211 1.00 0.49 H new ATOM 0 HA MET A 185 11.769 -1.638 -1.064 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.061 -1.379 -3.457 1.00 0.77 H new ATOM 0 HB3 MET A 185 12.022 -2.786 -3.866 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.711 -3.459 -3.614 1.00 1.01 H new ATOM 0 HG3 MET A 185 10.654 -4.169 -2.319 1.00 1.01 H new ATOM 0 HE1 MET A 185 8.639 -0.163 -1.771 1.00 1.03 H new ATOM 0 HE2 MET A 185 9.222 -0.893 -3.286 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.563 -1.211 -2.725 1.00 1.03 H new ATOM 2003 N CYS A 186 12.657 -3.806 -0.275 1.00 0.55 N ATOM 2004 CA CYS A 186 13.189 -5.052 0.244 1.00 0.81 C ATOM 2005 C CYS A 186 12.038 -5.987 0.594 1.00 0.71 C ATOM 2006 O CYS A 186 10.891 -5.556 0.706 1.00 0.65 O ATOM 2007 CB CYS A 186 14.055 -4.776 1.478 1.00 1.10 C ATOM 2008 SG CYS A 186 14.963 -6.211 2.107 1.00 1.73 S ATOM 0 H CYS A 186 11.976 -3.353 0.334 1.00 0.55 H new ATOM 0 HA CYS A 186 13.812 -5.528 -0.513 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.770 -3.990 1.234 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.417 -4.391 2.273 1.00 1.10 H new ATOM 0 HG CYS A 186 15.661 -5.861 3.147 1.00 1.73 H new ATOM 2014 N GLN A 187 12.328 -7.265 0.737 1.00 0.81 N ATOM 2015 CA GLN A 187 11.320 -8.220 1.147 1.00 0.79 C ATOM 2016 C GLN A 187 11.856 -9.140 2.224 1.00 0.87 C ATOM 2017 O GLN A 187 13.046 -9.442 2.257 1.00 1.01 O ATOM 2018 CB GLN A 187 10.824 -9.048 -0.032 1.00 0.95 C ATOM 2019 CG GLN A 187 9.970 -8.265 -1.015 1.00 1.08 C ATOM 2020 CD GLN A 187 9.338 -9.143 -2.069 1.00 1.47 C ATOM 2021 OE1 GLN A 187 8.925 -10.327 -1.663 1.00 1.93 O flip ATOM 2022 NE2 GLN A 187 9.170 -8.737 -3.218 1.00 1.60 N flip ATOM 0 H GLN A 187 13.252 -7.665 0.575 1.00 0.81 H new ATOM 0 HA GLN A 187 10.481 -7.651 1.547 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.683 -9.462 -0.560 1.00 0.95 H new ATOM 0 HB3 GLN A 187 10.246 -9.891 0.346 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.187 -7.738 -0.470 1.00 1.08 H new ATOM 0 HG3 GLN A 187 10.585 -7.507 -1.501 1.00 1.08 H new ATOM 0 HE21 GLN A 187 9.507 -7.813 -3.487 1.00 1.60 H new ATOM 0 HE22 GLN A 187 8.693 -9.325 -3.902 1.00 1.60 H new ATOM 2031 N ILE A 188 10.971 -9.548 3.117 1.00 0.82 N ATOM 2032 CA ILE A 188 11.307 -10.492 4.170 1.00 0.92 C ATOM 2033 C ILE A 188 10.185 -11.510 4.316 1.00 0.95 C ATOM 2034 O ILE A 188 9.020 -11.140 4.319 1.00 0.87 O ATOM 2035 CB ILE A 188 11.526 -9.790 5.528 1.00 0.99 C ATOM 2036 CG1 ILE A 188 10.343 -8.876 5.862 1.00 0.96 C ATOM 2037 CG2 ILE A 188 12.821 -8.995 5.523 1.00 1.07 C ATOM 2038 CD1 ILE A 188 10.384 -8.301 7.263 1.00 1.11 C ATOM 0 H ILE A 188 10.000 -9.235 3.133 1.00 0.82 H new ATOM 0 HA ILE A 188 12.238 -10.982 3.887 1.00 0.92 H new ATOM 0 HB ILE A 188 11.598 -10.559 6.297 1.00 0.99 H new ATOM 0 HG12 ILE A 188 10.317 -8.056 5.144 1.00 0.96 H new ATOM 0 HG13 ILE A 188 9.417 -9.438 5.738 1.00 0.96 H new ATOM 0 HG21 ILE A 188 12.954 -8.510 6.490 1.00 1.07 H new ATOM 0 HG22 ILE A 188 13.659 -9.666 5.336 1.00 1.07 H new ATOM 0 HG23 ILE A 188 12.780 -8.238 4.740 1.00 1.07 H new ATOM 0 HD11 ILE A 188 9.513 -7.666 7.421 1.00 1.11 H new ATOM 0 HD12 ILE A 188 10.378 -9.113 7.990 1.00 1.11 H new ATOM 0 HD13 ILE A 188 11.291 -7.710 7.387 1.00 1.11 H new ATOM 2050 N SER A 189 10.536 -12.787 4.395 1.00 1.12 N ATOM 2051 CA SER A 189 9.556 -13.859 4.564 1.00 1.23 C ATOM 2052 C SER A 189 8.494 -13.807 3.458 1.00 1.13 C ATOM 2053 O SER A 189 7.346 -14.215 3.660 1.00 1.15 O ATOM 2054 CB SER A 189 8.902 -13.757 5.951 1.00 1.31 C ATOM 2055 OG SER A 189 8.130 -14.909 6.258 1.00 1.86 O ATOM 0 H SER A 189 11.502 -13.111 4.344 1.00 1.12 H new ATOM 0 HA SER A 189 10.070 -14.817 4.488 1.00 1.23 H new ATOM 0 HB2 SER A 189 9.675 -13.626 6.708 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.266 -12.873 5.988 1.00 1.31 H new ATOM 0 HG SER A 189 7.567 -15.139 5.490 1.00 1.86 H new ATOM 2061 N GLU A 190 8.901 -13.296 2.291 1.00 1.11 N ATOM 2062 CA GLU A 190 8.019 -13.149 1.131 1.00 1.13 C ATOM 2063 C GLU A 190 6.914 -12.113 1.375 1.00 0.96 C ATOM 2064 O GLU A 190 5.856 -12.163 0.745 1.00 1.05 O ATOM 2065 CB GLU A 190 7.420 -14.498 0.725 1.00 1.34 C ATOM 2066 CG GLU A 190 8.446 -15.469 0.170 1.00 1.74 C ATOM 2067 CD GLU A 190 7.862 -16.835 -0.118 1.00 2.26 C ATOM 2068 OE1 GLU A 190 6.856 -16.911 -0.853 1.00 2.66 O ATOM 2069 OE2 GLU A 190 8.405 -17.840 0.379 1.00 2.83 O ATOM 0 H GLU A 190 9.854 -12.972 2.125 1.00 1.11 H new ATOM 0 HA GLU A 190 8.631 -12.781 0.307 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.936 -14.948 1.592 1.00 1.34 H new ATOM 0 HB3 GLU A 190 6.645 -14.333 -0.023 1.00 1.34 H new ATOM 0 HG2 GLU A 190 8.869 -15.059 -0.747 1.00 1.74 H new ATOM 0 HG3 GLU A 190 9.265 -15.571 0.882 1.00 1.74 H new ATOM 2076 N GLN A 191 7.163 -11.181 2.288 1.00 0.81 N ATOM 2077 CA GLN A 191 6.266 -10.050 2.486 1.00 0.71 C ATOM 2078 C GLN A 191 7.023 -8.754 2.193 1.00 0.61 C ATOM 2079 O GLN A 191 8.252 -8.707 2.296 1.00 0.65 O ATOM 2080 CB GLN A 191 5.680 -10.047 3.908 1.00 0.78 C ATOM 2081 CG GLN A 191 6.660 -9.649 4.998 1.00 0.87 C ATOM 2082 CD GLN A 191 6.082 -9.797 6.394 1.00 1.15 C ATOM 2083 OE1 GLN A 191 5.247 -10.664 6.647 1.00 1.75 O ATOM 2084 NE2 GLN A 191 6.523 -8.949 7.307 1.00 1.46 N ATOM 0 H GLN A 191 7.978 -11.187 2.902 1.00 0.81 H new ATOM 0 HA GLN A 191 5.425 -10.134 1.798 1.00 0.71 H new ATOM 0 HB2 GLN A 191 4.831 -9.364 3.935 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.296 -11.043 4.130 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.557 -10.262 4.915 1.00 0.87 H new ATOM 0 HG3 GLN A 191 6.966 -8.614 4.845 1.00 0.87 H new ATOM 0 HE21 GLN A 191 7.216 -8.244 7.056 1.00 1.46 H new ATOM 0 HE22 GLN A 191 6.170 -8.999 8.263 1.00 1.46 H new ATOM 2093 N ILE A 192 6.289 -7.712 1.825 1.00 0.56 N ATOM 2094 CA ILE A 192 6.893 -6.483 1.316 1.00 0.50 C ATOM 2095 C ILE A 192 7.381 -5.581 2.446 1.00 0.47 C ATOM 2096 O ILE A 192 6.619 -5.216 3.344 1.00 0.61 O ATOM 2097 CB ILE A 192 5.898 -5.708 0.428 1.00 0.65 C ATOM 2098 CG1 ILE A 192 5.330 -6.623 -0.662 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.567 -4.492 -0.197 1.00 0.64 C ATOM 2100 CD1 ILE A 192 6.389 -7.293 -1.508 1.00 1.01 C ATOM 0 H ILE A 192 5.270 -7.692 1.869 1.00 0.56 H new ATOM 0 HA ILE A 192 7.755 -6.777 0.717 1.00 0.50 H new ATOM 0 HB ILE A 192 5.077 -5.362 1.056 1.00 0.65 H new ATOM 0 HG12 ILE A 192 4.713 -7.390 -0.194 1.00 0.89 H new ATOM 0 HG13 ILE A 192 4.676 -6.039 -1.310 1.00 0.89 H new ATOM 0 HG21 ILE A 192 5.847 -3.960 -0.819 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.926 -3.829 0.590 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.408 -4.815 -0.811 1.00 0.64 H new ATOM 0 HD11 ILE A 192 5.911 -7.924 -2.257 1.00 1.01 H new ATOM 0 HD12 ILE A 192 6.992 -6.533 -2.005 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.029 -7.905 -0.873 1.00 1.01 H new ATOM 2112 N TYR A 193 8.652 -5.208 2.368 1.00 0.48 N ATOM 2113 CA TYR A 193 9.319 -4.447 3.413 1.00 0.68 C ATOM 2114 C TYR A 193 9.866 -3.134 2.850 1.00 0.50 C ATOM 2115 O TYR A 193 10.590 -3.130 1.855 1.00 0.47 O ATOM 2116 CB TYR A 193 10.457 -5.303 3.984 1.00 1.05 C ATOM 2117 CG TYR A 193 11.182 -4.716 5.176 1.00 1.54 C ATOM 2118 CD1 TYR A 193 12.325 -3.941 5.013 1.00 2.35 C ATOM 2119 CD2 TYR A 193 10.738 -4.962 6.467 1.00 1.86 C ATOM 2120 CE1 TYR A 193 13.003 -3.430 6.103 1.00 3.17 C ATOM 2121 CE2 TYR A 193 11.406 -4.451 7.561 1.00 2.49 C ATOM 2122 CZ TYR A 193 12.539 -3.687 7.375 1.00 3.09 C ATOM 2123 OH TYR A 193 13.207 -3.176 8.463 1.00 3.94 O ATOM 0 H TYR A 193 9.252 -5.427 1.572 1.00 0.48 H new ATOM 0 HA TYR A 193 8.610 -4.200 4.203 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.050 -6.273 4.271 1.00 1.05 H new ATOM 0 HB3 TYR A 193 11.184 -5.484 3.192 1.00 1.05 H new ATOM 0 HD1 TYR A 193 12.689 -3.735 4.017 1.00 2.35 H new ATOM 0 HD2 TYR A 193 9.854 -5.564 6.619 1.00 1.86 H new ATOM 0 HE1 TYR A 193 13.891 -2.833 5.959 1.00 3.17 H new ATOM 0 HE2 TYR A 193 11.043 -4.649 8.559 1.00 2.49 H new ATOM 0 HH TYR A 193 12.749 -3.449 9.286 1.00 3.94 H new ATOM 2133 N TYR A 194 9.533 -2.020 3.483 1.00 0.49 N ATOM 2134 CA TYR A 194 10.010 -0.727 3.016 1.00 0.41 C ATOM 2135 C TYR A 194 11.196 -0.279 3.848 1.00 0.40 C ATOM 2136 O TYR A 194 11.066 0.000 5.043 1.00 0.49 O ATOM 2137 CB TYR A 194 8.892 0.323 3.065 1.00 0.56 C ATOM 2138 CG TYR A 194 7.946 0.258 1.882 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.263 -0.915 1.568 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.721 1.376 1.089 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.389 -0.967 0.498 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.852 1.327 0.019 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.231 0.118 -0.303 1.00 0.80 C ATOM 2144 OH TYR A 194 5.320 0.115 -1.337 1.00 0.92 O ATOM 0 H TYR A 194 8.941 -1.984 4.313 1.00 0.49 H new ATOM 0 HA TYR A 194 10.326 -0.832 1.978 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.321 0.191 3.984 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.339 1.316 3.108 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.419 -1.798 2.170 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.235 2.299 1.314 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.832 -1.871 0.299 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.654 2.214 -0.564 1.00 0.85 H new ATOM 0 HH TYR A 194 4.874 0.987 -1.383 1.00 0.92 H new ATOM 2154 N LYS A 195 12.352 -0.214 3.206 1.00 0.37 N ATOM 2155 CA LYS A 195 13.582 0.155 3.877 1.00 0.38 C ATOM 2156 C LYS A 195 14.099 1.468 3.324 1.00 0.39 C ATOM 2157 O LYS A 195 14.318 1.604 2.120 1.00 0.43 O ATOM 2158 CB LYS A 195 14.635 -0.954 3.709 1.00 0.40 C ATOM 2159 CG LYS A 195 15.911 -0.720 4.512 1.00 0.43 C ATOM 2160 CD LYS A 195 16.981 0.009 3.710 1.00 0.46 C ATOM 2161 CE LYS A 195 17.568 -0.871 2.617 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.233 -2.081 3.172 1.00 1.11 N ATOM 0 H LYS A 195 12.461 -0.415 2.212 1.00 0.37 H new ATOM 0 HA LYS A 195 13.381 0.279 4.941 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.197 -1.906 4.010 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.892 -1.041 2.653 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.673 -0.141 5.405 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.305 -1.679 4.849 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.552 0.906 3.263 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.777 0.336 4.379 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.776 -1.175 1.932 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.289 -0.295 2.036 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.856 -2.496 2.451 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.796 -1.816 4.005 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.512 -2.777 3.449 1.00 1.11 H new ATOM 2176 N VAL A 196 14.282 2.430 4.203 1.00 0.41 N ATOM 2177 CA VAL A 196 14.780 3.727 3.804 1.00 0.45 C ATOM 2178 C VAL A 196 16.281 3.791 4.026 1.00 0.43 C ATOM 2179 O VAL A 196 16.842 3.067 4.848 1.00 0.41 O ATOM 2180 CB VAL A 196 14.089 4.875 4.546 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.188 6.141 3.723 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.635 4.537 4.853 1.00 0.68 C ATOM 0 H VAL A 196 14.093 2.337 5.201 1.00 0.41 H new ATOM 0 HA VAL A 196 14.555 3.850 2.745 1.00 0.45 H new ATOM 0 HB VAL A 196 14.594 5.030 5.500 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.696 6.958 4.251 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.237 6.391 3.565 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.702 5.987 2.759 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.171 5.371 5.380 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.100 4.353 3.921 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.593 3.645 5.478 1.00 0.68 H new ATOM 2192 N ILE A 197 16.915 4.633 3.239 1.00 0.47 N ATOM 2193 CA ILE A 197 18.364 4.627 3.095 1.00 0.45 C ATOM 2194 C ILE A 197 19.033 5.585 4.061 1.00 0.45 C ATOM 2195 O ILE A 197 19.888 5.192 4.854 1.00 0.49 O ATOM 2196 CB ILE A 197 18.780 5.037 1.670 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.714 4.636 0.655 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.116 4.417 1.306 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.375 3.169 0.666 1.00 0.62 C ATOM 0 H ILE A 197 16.445 5.344 2.678 1.00 0.47 H new ATOM 0 HA ILE A 197 18.685 3.607 3.309 1.00 0.45 H new ATOM 0 HB ILE A 197 18.882 6.122 1.647 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.808 5.209 0.851 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.056 4.911 -0.343 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.394 4.718 0.296 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.878 4.756 2.008 1.00 0.47 H new ATOM 0 HG23 ILE A 197 20.038 3.331 1.352 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.610 2.967 -0.084 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.268 2.587 0.439 1.00 0.62 H new ATOM 0 HD13 ILE A 197 17.001 2.889 1.651 1.00 0.62 H new ATOM 2211 N LYS A 198 18.657 6.843 3.967 1.00 0.47 N ATOM 2212 CA LYS A 198 19.311 7.891 4.735 1.00 0.49 C ATOM 2213 C LYS A 198 18.310 8.923 5.249 1.00 0.48 C ATOM 2214 O LYS A 198 17.109 8.795 5.012 1.00 0.49 O ATOM 2215 CB LYS A 198 20.402 8.563 3.882 1.00 0.59 C ATOM 2216 CG LYS A 198 19.902 9.112 2.558 1.00 0.75 C ATOM 2217 CD LYS A 198 19.392 10.533 2.704 1.00 0.94 C ATOM 2218 CE LYS A 198 18.277 10.822 1.724 1.00 0.98 C ATOM 2219 NZ LYS A 198 17.853 12.244 1.773 1.00 1.38 N ATOM 0 H LYS A 198 17.900 7.169 3.366 1.00 0.47 H new ATOM 0 HA LYS A 198 19.775 7.432 5.608 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.847 9.376 4.455 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.194 7.839 3.688 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.708 9.087 1.825 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.104 8.475 2.177 1.00 0.75 H new ATOM 0 HD2 LYS A 198 19.034 10.690 3.722 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.211 11.234 2.543 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.608 10.576 0.715 1.00 0.98 H new ATOM 0 HE3 LYS A 198 17.424 10.181 1.945 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 17.076 12.398 1.099 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.530 12.477 2.734 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.656 12.855 1.521 1.00 1.38 H new ATOM 2233 N ASP A 199 18.830 9.942 5.933 1.00 0.52 N ATOM 2234 CA ASP A 199 18.017 10.994 6.553 1.00 0.56 C ATOM 2235 C ASP A 199 16.928 11.527 5.627 1.00 0.55 C ATOM 2236 O ASP A 199 17.209 12.103 4.570 1.00 0.67 O ATOM 2237 CB ASP A 199 18.900 12.167 6.998 1.00 0.67 C ATOM 2238 CG ASP A 199 19.707 11.876 8.247 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.652 11.062 8.174 1.00 2.23 O ATOM 2240 OD2 ASP A 199 19.381 12.434 9.317 1.00 2.13 O ATOM 0 H ASP A 199 19.833 10.064 6.075 1.00 0.52 H new ATOM 0 HA ASP A 199 17.533 10.532 7.414 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.581 12.427 6.187 1.00 0.67 H new ATOM 0 HB3 ASP A 199 18.270 13.038 7.177 1.00 0.67 H new ATOM 2245 N ILE A 200 15.684 11.317 6.028 1.00 0.52 N ATOM 2246 CA ILE A 200 14.553 11.946 5.366 1.00 0.55 C ATOM 2247 C ILE A 200 14.284 13.298 5.997 1.00 0.54 C ATOM 2248 O ILE A 200 14.312 13.436 7.222 1.00 0.57 O ATOM 2249 CB ILE A 200 13.268 11.083 5.444 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.351 9.895 4.485 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.027 11.920 5.143 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.524 10.299 3.035 1.00 0.88 C ATOM 0 H ILE A 200 15.432 10.714 6.811 1.00 0.52 H new ATOM 0 HA ILE A 200 14.814 12.058 4.314 1.00 0.55 H new ATOM 0 HB ILE A 200 13.186 10.701 6.462 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.186 9.259 4.779 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.445 9.297 4.581 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.140 11.290 5.204 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.949 12.729 5.869 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.105 12.339 4.140 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.575 9.406 2.412 1.00 0.88 H new ATOM 0 HD12 ILE A 200 12.677 10.910 2.724 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.445 10.872 2.924 1.00 0.88 H new ATOM 2264 N GLU A 201 14.047 14.294 5.165 1.00 0.55 N ATOM 2265 CA GLU A 201 13.681 15.608 5.652 1.00 0.57 C ATOM 2266 C GLU A 201 12.171 15.782 5.541 1.00 0.49 C ATOM 2267 O GLU A 201 11.587 15.496 4.499 1.00 0.55 O ATOM 2268 CB GLU A 201 14.422 16.692 4.871 1.00 0.68 C ATOM 2269 CG GLU A 201 15.932 16.600 5.026 1.00 0.81 C ATOM 2270 CD GLU A 201 16.661 17.751 4.372 1.00 1.29 C ATOM 2271 OE1 GLU A 201 17.037 18.702 5.087 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.863 17.714 3.142 1.00 2.06 O ATOM 0 H GLU A 201 14.102 14.217 4.149 1.00 0.55 H new ATOM 0 HA GLU A 201 13.969 15.703 6.699 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.164 16.613 3.815 1.00 0.68 H new ATOM 0 HB3 GLU A 201 14.085 17.672 5.209 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.182 16.573 6.087 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.280 15.663 4.593 1.00 0.81 H new ATOM 2279 N PRO A 202 11.521 16.228 6.632 1.00 0.43 N ATOM 2280 CA PRO A 202 10.063 16.365 6.694 1.00 0.43 C ATOM 2281 C PRO A 202 9.486 17.071 5.472 1.00 0.45 C ATOM 2282 O PRO A 202 9.804 18.231 5.203 1.00 0.51 O ATOM 2283 CB PRO A 202 9.841 17.204 7.952 1.00 0.49 C ATOM 2284 CG PRO A 202 11.003 16.884 8.823 1.00 0.49 C ATOM 2285 CD PRO A 202 12.164 16.635 7.897 1.00 0.45 C ATOM 0 HA PRO A 202 9.566 15.395 6.716 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.802 18.268 7.718 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.899 16.950 8.438 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.218 17.707 9.504 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.800 16.007 9.437 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.772 17.530 7.767 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.822 15.855 8.281 1.00 0.45 H new ATOM 2293 N GLY A 203 8.650 16.358 4.734 1.00 0.44 N ATOM 2294 CA GLY A 203 8.057 16.914 3.537 1.00 0.52 C ATOM 2295 C GLY A 203 8.363 16.102 2.292 1.00 0.54 C ATOM 2296 O GLY A 203 7.781 16.351 1.236 1.00 0.70 O ATOM 0 H GLY A 203 8.371 15.400 4.944 1.00 0.44 H new ATOM 0 HA2 GLY A 203 6.977 16.975 3.668 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.419 17.933 3.398 1.00 0.52 H new ATOM 2300 N GLU A 204 9.273 15.135 2.395 1.00 0.48 N ATOM 2301 CA GLU A 204 9.615 14.305 1.242 1.00 0.51 C ATOM 2302 C GLU A 204 9.772 12.834 1.619 1.00 0.39 C ATOM 2303 O GLU A 204 10.580 12.484 2.471 1.00 0.40 O ATOM 2304 CB GLU A 204 10.908 14.813 0.592 1.00 0.65 C ATOM 2305 CG GLU A 204 12.096 14.883 1.545 1.00 0.71 C ATOM 2306 CD GLU A 204 13.345 15.421 0.882 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.458 15.001 1.260 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.221 16.270 -0.024 1.00 1.27 O ATOM 0 H GLU A 204 9.780 14.909 3.251 1.00 0.48 H new ATOM 0 HA GLU A 204 8.791 14.380 0.533 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.163 14.160 -0.243 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.729 15.805 0.178 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.839 15.516 2.394 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.299 13.888 1.940 1.00 0.71 H new ATOM 2315 N GLU A 205 8.975 11.982 0.987 1.00 0.47 N ATOM 2316 CA GLU A 205 9.152 10.540 1.085 1.00 0.51 C ATOM 2317 C GLU A 205 9.617 9.979 -0.242 1.00 0.43 C ATOM 2318 O GLU A 205 8.970 10.193 -1.269 1.00 0.49 O ATOM 2319 CB GLU A 205 7.859 9.841 1.488 1.00 0.80 C ATOM 2320 CG GLU A 205 7.526 9.970 2.961 1.00 1.49 C ATOM 2321 CD GLU A 205 8.540 9.276 3.842 1.00 2.41 C ATOM 2322 OE1 GLU A 205 9.609 9.863 4.088 1.00 2.84 O ATOM 2323 OE2 GLU A 205 8.262 8.147 4.289 1.00 2.92 O ATOM 0 H GLU A 205 8.194 12.268 0.397 1.00 0.47 H new ATOM 0 HA GLU A 205 9.902 10.358 1.854 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.037 10.252 0.902 1.00 0.80 H new ATOM 0 HB3 GLU A 205 7.934 8.784 1.233 1.00 0.80 H new ATOM 0 HG2 GLU A 205 7.477 11.025 3.229 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.538 9.548 3.146 1.00 1.49 H new ATOM 2330 N LEU A 206 10.728 9.268 -0.237 1.00 0.37 N ATOM 2331 CA LEU A 206 11.179 8.603 -1.442 1.00 0.36 C ATOM 2332 C LEU A 206 11.311 7.108 -1.174 1.00 0.36 C ATOM 2333 O LEU A 206 12.313 6.661 -0.628 1.00 0.39 O ATOM 2334 CB LEU A 206 12.532 9.175 -1.916 1.00 0.41 C ATOM 2335 CG LEU A 206 12.576 10.673 -2.267 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.429 11.057 -3.193 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.579 11.538 -1.013 1.00 0.84 C ATOM 0 H LEU A 206 11.328 9.137 0.578 1.00 0.37 H new ATOM 0 HA LEU A 206 10.446 8.773 -2.230 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.270 8.989 -1.136 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.848 8.612 -2.794 1.00 0.41 H new ATOM 0 HG LEU A 206 13.510 10.857 -2.798 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.487 12.121 -3.423 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.499 10.482 -4.116 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.479 10.843 -2.703 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.610 12.590 -1.297 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.675 11.345 -0.436 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.454 11.299 -0.408 1.00 0.84 H new ATOM 2349 N LEU A 207 10.302 6.344 -1.583 1.00 0.37 N ATOM 2350 CA LEU A 207 10.275 4.889 -1.400 1.00 0.40 C ATOM 2351 C LEU A 207 9.570 4.239 -2.588 1.00 0.43 C ATOM 2352 O LEU A 207 8.387 4.475 -2.803 1.00 0.53 O ATOM 2353 CB LEU A 207 9.540 4.490 -0.102 1.00 0.43 C ATOM 2354 CG LEU A 207 10.307 4.666 1.225 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.754 4.201 1.099 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.236 6.105 1.720 1.00 0.44 C ATOM 0 H LEU A 207 9.476 6.714 -2.053 1.00 0.37 H new ATOM 0 HA LEU A 207 11.306 4.544 -1.330 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.621 5.073 -0.041 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.248 3.443 -0.187 1.00 0.43 H new ATOM 0 HG LEU A 207 9.820 4.034 1.968 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.265 4.339 2.052 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.775 3.146 0.826 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.258 4.785 0.329 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.786 6.195 2.657 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.676 6.768 0.975 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.195 6.383 1.883 1.00 0.44 H new ATOM 2368 N VAL A 208 10.281 3.438 -3.369 1.00 0.43 N ATOM 2369 CA VAL A 208 9.672 2.809 -4.534 1.00 0.50 C ATOM 2370 C VAL A 208 10.376 1.499 -4.885 1.00 0.57 C ATOM 2371 O VAL A 208 11.531 1.281 -4.508 1.00 0.59 O ATOM 2372 CB VAL A 208 9.708 3.758 -5.754 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.112 3.840 -6.330 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.706 3.329 -6.815 1.00 0.88 C ATOM 0 H VAL A 208 11.264 3.210 -3.222 1.00 0.43 H new ATOM 0 HA VAL A 208 8.634 2.592 -4.282 1.00 0.50 H new ATOM 0 HB VAL A 208 9.422 4.753 -5.414 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.115 4.513 -7.187 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.796 4.218 -5.570 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.434 2.848 -6.646 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.755 4.015 -7.660 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.943 2.320 -7.153 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.701 3.344 -6.393 1.00 0.88 H new ATOM 2384 N HIS A 209 9.667 0.635 -5.599 1.00 0.69 N ATOM 2385 CA HIS A 209 10.250 -0.587 -6.127 1.00 0.82 C ATOM 2386 C HIS A 209 10.629 -0.389 -7.588 1.00 0.94 C ATOM 2387 O HIS A 209 9.761 -0.223 -8.446 1.00 1.09 O ATOM 2388 CB HIS A 209 9.254 -1.752 -5.995 1.00 1.02 C ATOM 2389 CG HIS A 209 9.664 -3.006 -6.717 1.00 1.20 C ATOM 2390 ND1 HIS A 209 9.352 -3.198 -8.041 1.00 1.42 N ATOM 2391 CD2 HIS A 209 10.332 -4.093 -6.263 1.00 1.41 C ATOM 2392 CE1 HIS A 209 9.832 -4.384 -8.360 1.00 1.54 C ATOM 2393 NE2 HIS A 209 10.434 -4.970 -7.314 1.00 1.55 N ATOM 0 H HIS A 209 8.681 0.761 -5.826 1.00 0.69 H new ATOM 0 HA HIS A 209 11.146 -0.826 -5.555 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.122 -1.983 -4.938 1.00 1.02 H new ATOM 0 HB3 HIS A 209 8.284 -1.430 -6.374 1.00 1.02 H new ATOM 0 HD2 HIS A 209 10.712 -4.242 -5.263 1.00 1.41 H new ATOM 0 HE1 HIS A 209 9.751 -4.828 -9.341 1.00 1.54 H new ATOM 0 HE2 HIS A 209 10.880 -5.887 -7.302 1.00 1.55 H new ATOM 2401 N VAL A 210 11.923 -0.374 -7.862 1.00 1.14 N ATOM 2402 CA VAL A 210 12.407 -0.383 -9.231 1.00 1.45 C ATOM 2403 C VAL A 210 13.310 -1.590 -9.438 1.00 1.58 C ATOM 2404 O VAL A 210 14.499 -1.555 -9.117 1.00 1.82 O ATOM 2405 CB VAL A 210 13.175 0.908 -9.595 1.00 1.92 C ATOM 2406 CG1 VAL A 210 13.615 0.878 -11.052 1.00 2.56 C ATOM 2407 CG2 VAL A 210 12.322 2.137 -9.328 1.00 2.44 C ATOM 0 H VAL A 210 12.657 -0.356 -7.154 1.00 1.14 H new ATOM 0 HA VAL A 210 11.538 -0.438 -9.887 1.00 1.45 H new ATOM 0 HB VAL A 210 14.063 0.961 -8.965 1.00 1.92 H new ATOM 0 HG11 VAL A 210 14.154 1.796 -11.288 1.00 2.56 H new ATOM 0 HG12 VAL A 210 14.268 0.021 -11.217 1.00 2.56 H new ATOM 0 HG13 VAL A 210 12.739 0.796 -11.695 1.00 2.56 H new ATOM 0 HG21 VAL A 210 12.883 3.034 -9.592 1.00 2.44 H new ATOM 0 HG22 VAL A 210 11.414 2.087 -9.929 1.00 2.44 H new ATOM 0 HG23 VAL A 210 12.056 2.173 -8.272 1.00 2.44 H new