USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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: B 27 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 73 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 19 THR OG1 : rot -157:sc= 0.199 USER MOD Set 2.2: B 22 GLN : amide:sc= -1.72! K(o=-1.5!,f=-2.5) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : B 14 SER OG : rot -170:sc= 0 USER MOD Single : B 17 LYS NZ :NH3+ 163:sc= -0.0628 (180deg=-0.337) USER MOD Single : B 20 GLN :FLIP amide:sc= -1.7 F(o=-2.8,f=-1.7) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= -0.645 K(o=-0.65,f=-4.2!) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot -106:sc= 0.325 USER MOD Single : B 42 ASN : amide:sc= -0.398 K(o=-0.4,f=-8.6!) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot -52:sc= 0.485 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ -169:sc= -0.0202 (180deg=-0.164) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 109 GLN :FLIP amide:sc=-0.00161 F(o=-0.99,f=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 14.033 0.205 5.329 1.00 0.00 N ATOM 382 CA VAL B 5 13.850 1.643 5.236 1.00 0.00 C ATOM 383 C VAL B 5 12.443 2.049 5.673 1.00 0.00 C ATOM 384 O VAL B 5 11.460 1.796 4.977 1.00 0.00 O ATOM 385 CB VAL B 5 14.134 2.146 3.800 1.00 0.00 C ATOM 386 CG1 VAL B 5 13.212 1.478 2.788 1.00 0.00 C ATOM 387 CG2 VAL B 5 14.008 3.659 3.730 1.00 0.00 C ATOM 0 HA VAL B 5 14.566 2.110 5.912 1.00 0.00 H new ATOM 0 HB VAL B 5 15.158 1.873 3.545 1.00 0.00 H new ATOM 0 HG11 VAL B 5 13.436 1.852 1.789 1.00 0.00 H new ATOM 0 HG12 VAL B 5 13.364 0.399 2.814 1.00 0.00 H new ATOM 0 HG13 VAL B 5 12.175 1.704 3.036 1.00 0.00 H new ATOM 0 HG21 VAL B 5 14.211 3.994 2.713 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.998 3.954 4.014 1.00 0.00 H new ATOM 0 HG23 VAL B 5 14.725 4.116 4.413 1.00 0.00 H new ATOM 397 N THR B 6 12.355 2.669 6.845 1.00 0.00 N ATOM 398 CA THR B 6 11.075 3.104 7.391 1.00 0.00 C ATOM 399 C THR B 6 10.459 4.205 6.535 1.00 0.00 C ATOM 400 O THR B 6 11.146 4.846 5.740 1.00 0.00 O ATOM 401 CB THR B 6 11.230 3.614 8.834 1.00 0.00 C ATOM 402 OG1 THR B 6 12.200 2.822 9.533 1.00 0.00 O ATOM 403 CG2 THR B 6 9.903 3.553 9.572 1.00 0.00 C ATOM 0 H THR B 6 13.158 2.882 7.437 1.00 0.00 H new ATOM 0 HA THR B 6 10.415 2.237 7.389 1.00 0.00 H new ATOM 0 HB THR B 6 11.564 4.651 8.795 1.00 0.00 H new ATOM 0 HG1 THR B 6 12.294 3.154 10.450 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.036 3.918 10.590 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.171 4.174 9.056 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.549 2.522 9.600 1.00 0.00 H new ATOM 411 N LEU B 7 9.158 4.420 6.706 1.00 0.00 N ATOM 412 CA LEU B 7 8.447 5.444 5.951 1.00 0.00 C ATOM 413 C LEU B 7 7.533 6.257 6.861 1.00 0.00 C ATOM 414 O LEU B 7 6.979 5.735 7.828 1.00 0.00 O ATOM 415 CB LEU B 7 7.631 4.800 4.829 1.00 0.00 C ATOM 416 CG LEU B 7 6.844 5.776 3.950 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.788 6.720 3.222 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.979 5.017 2.957 1.00 0.00 C ATOM 0 H LEU B 7 8.576 3.898 7.361 1.00 0.00 H new ATOM 0 HA LEU B 7 9.184 6.119 5.515 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.306 4.228 4.193 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.932 4.090 5.272 1.00 0.00 H new ATOM 0 HG LEU B 7 6.193 6.370 4.592 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.210 7.406 2.602 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.367 7.288 3.950 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.464 6.143 2.591 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.426 5.725 2.340 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.612 4.399 2.321 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.277 4.382 3.497 1.00 0.00 H new ATOM 430 N ASP B 8 7.382 7.539 6.545 1.00 0.00 N ATOM 431 CA ASP B 8 6.534 8.427 7.331 1.00 0.00 C ATOM 432 C ASP B 8 6.088 9.625 6.499 1.00 0.00 C ATOM 433 O ASP B 8 5.549 10.596 7.031 1.00 0.00 O ATOM 434 CB ASP B 8 7.277 8.904 8.581 1.00 0.00 C ATOM 435 CG ASP B 8 8.558 9.641 8.247 1.00 0.00 C ATOM 436 OD1 ASP B 8 8.505 10.879 8.083 1.00 0.00 O ATOM 437 OD2 ASP B 8 9.616 8.983 8.148 1.00 0.00 O ATOM 0 H ASP B 8 7.837 7.986 5.749 1.00 0.00 H new ATOM 0 HA ASP B 8 5.649 7.869 7.637 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.625 9.558 9.160 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.509 8.046 9.212 1.00 0.00 H new ATOM 442 N ASP B 9 6.314 9.546 5.191 1.00 0.00 N ATOM 443 CA ASP B 9 5.936 10.623 4.283 1.00 0.00 C ATOM 444 C ASP B 9 5.047 10.095 3.160 1.00 0.00 C ATOM 445 O ASP B 9 4.672 8.923 3.152 1.00 0.00 O ATOM 446 CB ASP B 9 7.184 11.282 3.694 1.00 0.00 C ATOM 447 CG ASP B 9 8.087 11.868 4.762 1.00 0.00 C ATOM 448 OD1 ASP B 9 7.907 13.056 5.105 1.00 0.00 O ATOM 449 OD2 ASP B 9 8.974 11.141 5.255 1.00 0.00 O ATOM 0 H ASP B 9 6.757 8.747 4.737 1.00 0.00 H new ATOM 0 HA ASP B 9 5.375 11.366 4.850 1.00 0.00 H new ATOM 0 HB2 ASP B 9 7.741 10.546 3.115 1.00 0.00 H new ATOM 0 HB3 ASP B 9 6.884 12.070 3.003 1.00 0.00 H new ATOM 454 N ALA B 10 4.717 10.968 2.213 1.00 0.00 N ATOM 455 CA ALA B 10 3.873 10.591 1.085 1.00 0.00 C ATOM 456 C ALA B 10 4.587 10.832 -0.240 1.00 0.00 C ATOM 457 O ALA B 10 3.993 10.693 -1.310 1.00 0.00 O ATOM 458 CB ALA B 10 2.562 11.361 1.130 1.00 0.00 C ATOM 0 H ALA B 10 5.021 11.941 2.205 1.00 0.00 H new ATOM 0 HA ALA B 10 3.659 9.525 1.161 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.940 11.071 0.283 1.00 0.00 H new ATOM 0 HB2 ALA B 10 2.038 11.134 2.059 1.00 0.00 H new ATOM 0 HB3 ALA B 10 2.766 12.431 1.081 1.00 0.00 H new ATOM 464 N ASP B 11 5.864 11.197 -0.162 1.00 0.00 N ATOM 465 CA ASP B 11 6.658 11.458 -1.357 1.00 0.00 C ATOM 466 C ASP B 11 7.897 10.569 -1.393 1.00 0.00 C ATOM 467 O ASP B 11 8.400 10.231 -2.465 1.00 0.00 O ATOM 468 CB ASP B 11 7.073 12.930 -1.405 1.00 0.00 C ATOM 469 CG ASP B 11 7.889 13.261 -2.639 1.00 0.00 C ATOM 470 OD1 ASP B 11 9.132 13.145 -2.577 1.00 0.00 O ATOM 471 OD2 ASP B 11 7.287 13.635 -3.666 1.00 0.00 O ATOM 0 H ASP B 11 6.370 11.318 0.715 1.00 0.00 H new ATOM 0 HA ASP B 11 6.044 11.230 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP B 11 6.181 13.557 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP B 11 7.653 13.170 -0.514 1.00 0.00 H new ATOM 476 N ASP B 12 8.382 10.192 -0.214 1.00 0.00 N ATOM 477 CA ASP B 12 9.562 9.341 -0.109 1.00 0.00 C ATOM 478 C ASP B 12 9.187 7.869 -0.240 1.00 0.00 C ATOM 479 O ASP B 12 9.992 6.985 0.056 1.00 0.00 O ATOM 480 CB ASP B 12 10.273 9.582 1.225 1.00 0.00 C ATOM 481 CG ASP B 12 10.722 11.019 1.389 1.00 0.00 C ATOM 482 OD1 ASP B 12 9.939 11.828 1.932 1.00 0.00 O ATOM 483 OD2 ASP B 12 11.858 11.338 0.978 1.00 0.00 O ATOM 0 H ASP B 12 7.976 10.462 0.682 1.00 0.00 H new ATOM 0 HA ASP B 12 10.237 9.598 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP B 12 9.603 9.318 2.043 1.00 0.00 H new ATOM 0 HB3 ASP B 12 11.139 8.923 1.296 1.00 0.00 H new ATOM 488 N CYS B 13 7.963 7.611 -0.690 1.00 0.00 N ATOM 489 CA CYS B 13 7.483 6.243 -0.860 1.00 0.00 C ATOM 490 C CYS B 13 8.070 5.609 -2.116 1.00 0.00 C ATOM 491 O CYS B 13 7.764 4.460 -2.436 1.00 0.00 O ATOM 492 CB CYS B 13 5.957 6.216 -0.959 1.00 0.00 C ATOM 493 SG CYS B 13 5.090 7.242 0.272 1.00 0.00 S ATOM 0 H CYS B 13 7.286 8.330 -0.943 1.00 0.00 H new ATOM 0 HA CYS B 13 7.804 5.674 0.013 1.00 0.00 H new ATOM 0 HB2 CYS B 13 5.666 6.547 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS B 13 5.619 5.185 -0.854 1.00 0.00 H new ATOM 498 N SER B 14 8.903 6.365 -2.827 1.00 0.00 N ATOM 499 CA SER B 14 9.511 5.882 -4.055 1.00 0.00 C ATOM 500 C SER B 14 8.428 5.667 -5.102 1.00 0.00 C ATOM 501 O SER B 14 8.125 4.532 -5.467 1.00 0.00 O ATOM 502 CB SER B 14 10.289 4.584 -3.812 1.00 0.00 C ATOM 503 OG SER B 14 11.304 4.773 -2.843 1.00 0.00 O ATOM 0 H SER B 14 9.170 7.315 -2.570 1.00 0.00 H new ATOM 0 HA SER B 14 10.220 6.628 -4.414 1.00 0.00 H new ATOM 0 HB2 SER B 14 9.605 3.803 -3.480 1.00 0.00 H new ATOM 0 HB3 SER B 14 10.733 4.242 -4.747 1.00 0.00 H new ATOM 0 HG SER B 14 11.884 3.984 -2.819 1.00 0.00 H new ATOM 509 N PRO B 15 7.816 6.767 -5.581 1.00 0.00 N ATOM 510 CA PRO B 15 6.744 6.715 -6.586 1.00 0.00 C ATOM 511 C PRO B 15 7.241 6.285 -7.955 1.00 0.00 C ATOM 512 O PRO B 15 6.708 6.710 -8.980 1.00 0.00 O ATOM 513 CB PRO B 15 6.244 8.155 -6.647 1.00 0.00 C ATOM 514 CG PRO B 15 7.397 8.982 -6.197 1.00 0.00 C ATOM 515 CD PRO B 15 8.125 8.151 -5.178 1.00 0.00 C ATOM 0 HA PRO B 15 5.981 5.986 -6.316 1.00 0.00 H new ATOM 0 HB2 PRO B 15 5.936 8.424 -7.658 1.00 0.00 H new ATOM 0 HB3 PRO B 15 5.378 8.300 -6.001 1.00 0.00 H new ATOM 0 HG2 PRO B 15 8.048 9.233 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO B 15 7.058 9.923 -5.764 1.00 0.00 H new ATOM 0 HD2 PRO B 15 9.198 8.344 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO B 15 7.779 8.362 -4.166 1.00 0.00 H new ATOM 523 N LEU B 16 8.251 5.430 -7.968 1.00 0.00 N ATOM 524 CA LEU B 16 8.825 4.957 -9.218 1.00 0.00 C ATOM 525 C LEU B 16 9.886 3.875 -9.003 1.00 0.00 C ATOM 526 O LEU B 16 9.854 3.149 -8.008 1.00 0.00 O ATOM 527 CB LEU B 16 9.390 6.143 -9.988 1.00 0.00 C ATOM 528 CG LEU B 16 10.293 7.062 -9.178 1.00 0.00 C ATOM 529 CD1 LEU B 16 11.625 6.390 -8.903 1.00 0.00 C ATOM 530 CD2 LEU B 16 10.493 8.391 -9.890 1.00 0.00 C ATOM 0 H LEU B 16 8.690 5.050 -7.129 1.00 0.00 H new ATOM 0 HA LEU B 16 8.033 4.488 -9.802 1.00 0.00 H new ATOM 0 HB2 LEU B 16 9.952 5.768 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU B 16 8.560 6.729 -10.384 1.00 0.00 H new ATOM 0 HG LEU B 16 9.808 7.264 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU B 16 12.258 7.061 -8.323 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.460 5.471 -8.341 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.116 6.154 -9.847 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.142 9.030 -9.291 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.953 8.217 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU B 16 9.528 8.879 -10.027 1.00 0.00 H new ATOM 542 N LYS B 17 10.809 3.776 -9.961 1.00 0.00 N ATOM 543 CA LYS B 17 11.892 2.791 -9.933 1.00 0.00 C ATOM 544 C LYS B 17 12.375 2.485 -8.522 1.00 0.00 C ATOM 545 O LYS B 17 13.084 3.279 -7.904 1.00 0.00 O ATOM 546 CB LYS B 17 13.061 3.274 -10.789 1.00 0.00 C ATOM 547 CG LYS B 17 13.026 2.744 -12.211 1.00 0.00 C ATOM 548 CD LYS B 17 13.681 3.708 -13.187 1.00 0.00 C ATOM 549 CE LYS B 17 15.181 3.802 -12.957 1.00 0.00 C ATOM 550 NZ LYS B 17 15.862 2.499 -13.194 1.00 0.00 N ATOM 0 H LYS B 17 10.827 4.380 -10.783 1.00 0.00 H new ATOM 0 HA LYS B 17 11.489 1.864 -10.341 1.00 0.00 H new ATOM 0 HB2 LYS B 17 13.057 4.364 -10.815 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.996 2.970 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS B 17 13.536 1.781 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.992 2.571 -12.509 1.00 0.00 H new ATOM 0 HD2 LYS B 17 13.489 3.380 -14.208 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.233 4.696 -13.080 1.00 0.00 H new ATOM 0 HE2 LYS B 17 15.603 4.558 -13.619 1.00 0.00 H new ATOM 0 HE3 LYS B 17 15.372 4.131 -11.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 16.883 2.657 -13.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 15.701 1.870 -12.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 15.479 2.058 -14.054 1.00 0.00 H new ATOM 564 N LEU B 18 11.981 1.317 -8.022 1.00 0.00 N ATOM 565 CA LEU B 18 12.388 0.872 -6.695 1.00 0.00 C ATOM 566 C LEU B 18 13.473 -0.195 -6.818 1.00 0.00 C ATOM 567 O LEU B 18 13.832 -0.596 -7.925 1.00 0.00 O ATOM 568 CB LEU B 18 11.182 0.325 -5.923 1.00 0.00 C ATOM 569 CG LEU B 18 11.408 0.058 -4.435 1.00 0.00 C ATOM 570 CD1 LEU B 18 12.097 1.238 -3.764 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.091 -0.253 -3.744 1.00 0.00 C ATOM 0 H LEU B 18 11.378 0.661 -8.519 1.00 0.00 H new ATOM 0 HA LEU B 18 12.790 1.722 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.359 1.032 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU B 18 10.864 -0.605 -6.395 1.00 0.00 H new ATOM 0 HG LEU B 18 12.062 -0.809 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU B 18 12.245 1.020 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU B 18 13.063 1.412 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU B 18 11.477 2.128 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.271 -0.440 -2.685 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.414 0.594 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU B 18 9.642 -1.136 -4.198 1.00 0.00 H new ATOM 583 N THR B 19 13.990 -0.651 -5.685 1.00 0.00 N ATOM 584 CA THR B 19 15.036 -1.660 -5.679 1.00 0.00 C ATOM 585 C THR B 19 14.597 -2.920 -4.944 1.00 0.00 C ATOM 586 O THR B 19 14.393 -2.906 -3.732 1.00 0.00 O ATOM 587 CB THR B 19 16.317 -1.125 -5.023 1.00 0.00 C ATOM 588 OG1 THR B 19 16.038 -0.696 -3.685 1.00 0.00 O ATOM 589 CG2 THR B 19 16.893 0.033 -5.823 1.00 0.00 C ATOM 0 H THR B 19 13.701 -0.337 -4.759 1.00 0.00 H new ATOM 0 HA THR B 19 15.236 -1.908 -6.721 1.00 0.00 H new ATOM 0 HB THR B 19 17.052 -1.930 -5.001 1.00 0.00 H new ATOM 0 HG1 THR B 19 16.710 -0.040 -3.405 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.800 0.395 -5.338 1.00 0.00 H new ATOM 0 HG22 THR B 19 17.131 -0.304 -6.832 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.162 0.840 -5.873 1.00 0.00 H new ATOM 597 N GLN B 20 14.452 -4.007 -5.692 1.00 0.00 N ATOM 598 CA GLN B 20 14.049 -5.287 -5.120 1.00 0.00 C ATOM 599 C GLN B 20 15.032 -5.724 -4.041 1.00 0.00 C ATOM 600 O GLN B 20 16.234 -5.831 -4.285 1.00 0.00 O ATOM 601 CB GLN B 20 13.961 -6.354 -6.212 1.00 0.00 C ATOM 602 CG GLN B 20 12.754 -6.196 -7.121 1.00 0.00 C ATOM 603 CD GLN B 20 12.879 -7.000 -8.400 1.00 0.00 C ATOM 604 OE1 GLN B 20 12.276 -6.501 -9.473 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 13.512 -8.057 -8.425 1.00 0.00 N flip ATOM 0 H GLN B 20 14.608 -4.028 -6.700 1.00 0.00 H new ATOM 0 HA GLN B 20 13.065 -5.165 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.867 -6.319 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.927 -7.338 -5.745 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.857 -6.508 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.626 -5.142 -7.369 1.00 0.00 H new ATOM 0 HE21 GLN B 20 13.960 -8.404 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.588 -8.585 -9.294 1.00 0.00 H new ATOM 614 N GLY B 21 14.511 -5.976 -2.845 1.00 0.00 N ATOM 615 CA GLY B 21 15.352 -6.393 -1.741 1.00 0.00 C ATOM 616 C GLY B 21 15.251 -5.453 -0.557 1.00 0.00 C ATOM 617 O GLY B 21 15.690 -5.780 0.546 1.00 0.00 O ATOM 0 H GLY B 21 13.519 -5.898 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.068 -7.398 -1.430 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.388 -6.444 -2.075 1.00 0.00 H new ATOM 621 N GLN B 22 14.671 -4.279 -0.788 1.00 0.00 N ATOM 622 CA GLN B 22 14.505 -3.288 0.257 1.00 0.00 C ATOM 623 C GLN B 22 13.256 -3.572 1.075 1.00 0.00 C ATOM 624 O GLN B 22 12.181 -3.837 0.533 1.00 0.00 O ATOM 625 CB GLN B 22 14.425 -1.882 -0.339 1.00 0.00 C ATOM 626 CG GLN B 22 15.781 -1.238 -0.568 1.00 0.00 C ATOM 627 CD GLN B 22 15.679 0.233 -0.925 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.538 0.775 -1.622 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.625 0.889 -0.450 1.00 0.00 N ATOM 0 H GLN B 22 14.308 -3.994 -1.698 1.00 0.00 H new ATOM 0 HA GLN B 22 15.374 -3.344 0.912 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.890 -1.929 -1.288 1.00 0.00 H new ATOM 0 HB3 GLN B 22 13.839 -1.248 0.326 1.00 0.00 H new ATOM 0 HG2 GLN B 22 16.387 -1.348 0.331 1.00 0.00 H new ATOM 0 HG3 GLN B 22 16.299 -1.767 -1.368 1.00 0.00 H new ATOM 0 HE21 GLN B 22 13.937 0.401 0.124 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.504 1.880 -0.659 1.00 0.00 H new ATOM 638 N GLU B 23 13.422 -3.522 2.384 1.00 0.00 N ATOM 639 CA GLU B 23 12.321 -3.755 3.313 1.00 0.00 C ATOM 640 C GLU B 23 11.748 -2.428 3.793 1.00 0.00 C ATOM 641 O GLU B 23 12.337 -1.374 3.557 1.00 0.00 O ATOM 642 CB GLU B 23 12.797 -4.577 4.509 1.00 0.00 C ATOM 643 CG GLU B 23 13.022 -6.044 4.197 1.00 0.00 C ATOM 644 CD GLU B 23 13.775 -6.764 5.297 1.00 0.00 C ATOM 645 OE1 GLU B 23 13.120 -7.315 6.204 1.00 0.00 O ATOM 646 OE2 GLU B 23 15.024 -6.777 5.251 1.00 0.00 O ATOM 0 H GLU B 23 14.315 -3.321 2.835 1.00 0.00 H new ATOM 0 HA GLU B 23 11.542 -4.311 2.792 1.00 0.00 H new ATOM 0 HB2 GLU B 23 13.726 -4.149 4.885 1.00 0.00 H new ATOM 0 HB3 GLU B 23 12.062 -4.495 5.310 1.00 0.00 H new ATOM 0 HG2 GLU B 23 12.059 -6.531 4.042 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.578 -6.132 3.263 1.00 0.00 H new ATOM 653 N LEU B 24 10.606 -2.478 4.468 1.00 0.00 N ATOM 654 CA LEU B 24 9.981 -1.258 4.967 1.00 0.00 C ATOM 655 C LEU B 24 9.013 -1.543 6.112 1.00 0.00 C ATOM 656 O LEU B 24 8.441 -2.629 6.206 1.00 0.00 O ATOM 657 CB LEU B 24 9.253 -0.539 3.832 1.00 0.00 C ATOM 658 CG LEU B 24 8.680 0.829 4.201 1.00 0.00 C ATOM 659 CD1 LEU B 24 8.805 1.792 3.029 1.00 0.00 C ATOM 660 CD2 LEU B 24 7.229 0.704 4.641 1.00 0.00 C ATOM 0 H LEU B 24 10.099 -3.337 4.681 1.00 0.00 H new ATOM 0 HA LEU B 24 10.772 -0.617 5.355 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.944 -0.415 2.998 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.440 -1.175 3.481 1.00 0.00 H new ATOM 0 HG LEU B 24 9.255 1.228 5.037 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.392 2.761 3.309 1.00 0.00 H new ATOM 0 HD12 LEU B 24 9.856 1.908 2.764 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.257 1.397 2.174 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.841 1.689 4.899 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.637 0.282 3.828 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.168 0.051 5.511 1.00 0.00 H new ATOM 672 N VAL B 25 8.842 -0.549 6.981 1.00 0.00 N ATOM 673 CA VAL B 25 7.941 -0.660 8.121 1.00 0.00 C ATOM 674 C VAL B 25 7.244 0.670 8.387 1.00 0.00 C ATOM 675 O VAL B 25 7.827 1.736 8.192 1.00 0.00 O ATOM 676 CB VAL B 25 8.686 -1.098 9.396 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.964 -2.592 9.369 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.975 -0.306 9.565 1.00 0.00 C ATOM 0 H VAL B 25 9.321 0.349 6.914 1.00 0.00 H new ATOM 0 HA VAL B 25 7.202 -1.421 7.869 1.00 0.00 H new ATOM 0 HB VAL B 25 8.048 -0.890 10.255 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.491 -2.881 10.279 1.00 0.00 H new ATOM 0 HG12 VAL B 25 8.022 -3.136 9.307 1.00 0.00 H new ATOM 0 HG13 VAL B 25 9.579 -2.832 8.502 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.486 -0.631 10.472 1.00 0.00 H new ATOM 0 HG22 VAL B 25 10.622 -0.475 8.704 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.742 0.756 9.641 1.00 0.00 H new ATOM 688 N LEU B 26 5.993 0.603 8.832 1.00 0.00 N ATOM 689 CA LEU B 26 5.222 1.808 9.120 1.00 0.00 C ATOM 690 C LEU B 26 4.364 1.623 10.366 1.00 0.00 C ATOM 691 O LEU B 26 3.747 0.577 10.559 1.00 0.00 O ATOM 692 CB LEU B 26 4.342 2.172 7.921 1.00 0.00 C ATOM 693 CG LEU B 26 3.384 3.344 8.151 1.00 0.00 C ATOM 694 CD1 LEU B 26 4.158 4.626 8.415 1.00 0.00 C ATOM 695 CD2 LEU B 26 2.455 3.515 6.957 1.00 0.00 C ATOM 0 H LEU B 26 5.493 -0.270 9.001 1.00 0.00 H new ATOM 0 HA LEU B 26 5.922 2.623 9.307 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.987 2.411 7.076 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.758 1.296 7.639 1.00 0.00 H new ATOM 0 HG LEU B 26 2.778 3.125 9.030 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.459 5.447 8.576 1.00 0.00 H new ATOM 0 HD12 LEU B 26 4.779 4.500 9.302 1.00 0.00 H new ATOM 0 HD13 LEU B 26 4.791 4.852 7.557 1.00 0.00 H new ATOM 0 HD21 LEU B 26 1.781 4.352 7.137 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.045 3.711 6.062 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.873 2.604 6.816 1.00 0.00 H new ATOM 707 N THR B 27 4.327 2.653 11.207 1.00 0.00 N ATOM 708 CA THR B 27 3.544 2.609 12.437 1.00 0.00 C ATOM 709 C THR B 27 2.706 3.874 12.597 1.00 0.00 C ATOM 710 O THR B 27 3.227 4.986 12.537 1.00 0.00 O ATOM 711 CB THR B 27 4.450 2.444 13.673 1.00 0.00 C ATOM 712 OG1 THR B 27 5.243 1.259 13.544 1.00 0.00 O ATOM 713 CG2 THR B 27 3.619 2.369 14.946 1.00 0.00 C ATOM 0 H THR B 27 4.830 3.528 11.059 1.00 0.00 H new ATOM 0 HA THR B 27 2.883 1.745 12.364 1.00 0.00 H new ATOM 0 HB THR B 27 5.105 3.313 13.736 1.00 0.00 H new ATOM 0 HG1 THR B 27 5.817 1.162 14.332 1.00 0.00 H new ATOM 0 HG21 THR B 27 4.279 2.253 15.805 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.038 3.285 15.056 1.00 0.00 H new ATOM 0 HG23 THR B 27 2.943 1.516 14.890 1.00 0.00 H new ATOM 721 N LEU B 28 1.404 3.692 12.805 1.00 0.00 N ATOM 722 CA LEU B 28 0.494 4.818 12.973 1.00 0.00 C ATOM 723 C LEU B 28 -0.453 4.578 14.150 1.00 0.00 C ATOM 724 O LEU B 28 -0.795 3.434 14.453 1.00 0.00 O ATOM 725 CB LEU B 28 -0.313 5.043 11.693 1.00 0.00 C ATOM 726 CG LEU B 28 0.519 5.353 10.446 1.00 0.00 C ATOM 727 CD1 LEU B 28 -0.372 5.415 9.213 1.00 0.00 C ATOM 728 CD2 LEU B 28 1.279 6.660 10.621 1.00 0.00 C ATOM 0 H LEU B 28 0.958 2.776 12.861 1.00 0.00 H new ATOM 0 HA LEU B 28 1.088 5.708 13.181 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.912 4.153 11.499 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.008 5.866 11.860 1.00 0.00 H new ATOM 0 HG LEU B 28 1.244 4.551 10.308 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.236 5.636 8.336 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.871 4.456 9.076 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -1.120 6.197 9.343 1.00 0.00 H new ATOM 0 HD21 LEU B 28 1.865 6.863 9.724 1.00 0.00 H new ATOM 0 HD22 LEU B 28 0.572 7.473 10.785 1.00 0.00 H new ATOM 0 HD23 LEU B 28 1.946 6.581 11.480 1.00 0.00 H new ATOM 740 N PRO B 29 -0.891 5.655 14.828 1.00 0.00 N ATOM 741 CA PRO B 29 -1.803 5.549 15.972 1.00 0.00 C ATOM 742 C PRO B 29 -3.223 5.193 15.544 1.00 0.00 C ATOM 743 O PRO B 29 -3.684 5.610 14.483 1.00 0.00 O ATOM 744 CB PRO B 29 -1.763 6.949 16.584 1.00 0.00 C ATOM 745 CG PRO B 29 -1.440 7.846 15.440 1.00 0.00 C ATOM 746 CD PRO B 29 -0.534 7.057 14.536 1.00 0.00 C ATOM 0 HA PRO B 29 -1.507 4.759 16.663 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -2.719 7.212 17.037 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -1.009 7.018 17.368 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -2.346 8.150 14.915 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -0.950 8.757 15.785 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.700 7.303 13.487 1.00 0.00 H new ATOM 0 HD3 PRO B 29 0.517 7.256 14.748 1.00 0.00 H new ATOM 754 N SER B 30 -3.914 4.422 16.381 1.00 0.00 N ATOM 755 CA SER B 30 -5.280 4.013 16.087 1.00 0.00 C ATOM 756 C SER B 30 -6.051 3.709 17.367 1.00 0.00 C ATOM 757 O SER B 30 -7.280 3.785 17.393 1.00 0.00 O ATOM 758 CB SER B 30 -5.280 2.782 15.178 1.00 0.00 C ATOM 759 OG SER B 30 -4.636 1.686 15.804 1.00 0.00 O ATOM 0 H SER B 30 -3.549 4.070 17.266 1.00 0.00 H new ATOM 0 HA SER B 30 -5.774 4.839 15.576 1.00 0.00 H new ATOM 0 HB2 SER B 30 -6.306 2.511 14.928 1.00 0.00 H new ATOM 0 HB3 SER B 30 -4.775 3.018 14.241 1.00 0.00 H new ATOM 0 HG SER B 30 -4.651 0.912 15.204 1.00 0.00 H new ATOM 765 N ASN B 31 -5.320 3.366 18.425 1.00 0.00 N ATOM 766 CA ASN B 31 -5.930 3.047 19.714 1.00 0.00 C ATOM 767 C ASN B 31 -6.853 1.833 19.590 1.00 0.00 C ATOM 768 O ASN B 31 -7.965 1.945 19.078 1.00 0.00 O ATOM 769 CB ASN B 31 -6.713 4.251 20.245 1.00 0.00 C ATOM 770 CG ASN B 31 -7.191 4.056 21.671 1.00 0.00 C ATOM 771 OD1 ASN B 31 -7.445 2.933 22.108 1.00 0.00 O ATOM 772 ND2 ASN B 31 -7.317 5.153 22.408 1.00 0.00 N ATOM 0 H ASN B 31 -4.302 3.302 18.415 1.00 0.00 H new ATOM 0 HA ASN B 31 -5.134 2.806 20.418 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.083 5.139 20.196 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.572 4.433 19.600 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -7.635 5.084 23.375 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -7.096 6.065 22.007 1.00 0.00 H new ATOM 779 N PRO B 32 -6.399 0.652 20.055 1.00 0.00 N ATOM 780 CA PRO B 32 -7.196 -0.580 19.988 1.00 0.00 C ATOM 781 C PRO B 32 -8.582 -0.413 20.602 1.00 0.00 C ATOM 782 O PRO B 32 -8.757 0.309 21.584 1.00 0.00 O ATOM 783 CB PRO B 32 -6.372 -1.585 20.795 1.00 0.00 C ATOM 784 CG PRO B 32 -4.974 -1.078 20.717 1.00 0.00 C ATOM 785 CD PRO B 32 -5.080 0.421 20.674 1.00 0.00 C ATOM 0 HA PRO B 32 -7.378 -0.887 18.958 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.716 -1.640 21.828 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -6.453 -2.589 20.378 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.392 -1.404 21.579 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.469 -1.459 19.829 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.022 0.857 21.671 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.277 0.864 20.085 1.00 0.00 H new ATOM 793 N THR B 33 -9.564 -1.092 20.014 1.00 0.00 N ATOM 794 CA THR B 33 -10.940 -1.031 20.494 1.00 0.00 C ATOM 795 C THR B 33 -11.457 0.404 20.520 1.00 0.00 C ATOM 796 O THR B 33 -11.459 1.056 21.563 1.00 0.00 O ATOM 797 CB THR B 33 -11.073 -1.643 21.903 1.00 0.00 C ATOM 798 OG1 THR B 33 -10.528 -2.968 21.916 1.00 0.00 O ATOM 799 CG2 THR B 33 -12.531 -1.690 22.340 1.00 0.00 C ATOM 0 H THR B 33 -9.430 -1.693 19.201 1.00 0.00 H new ATOM 0 HA THR B 33 -11.541 -1.613 19.796 1.00 0.00 H new ATOM 0 HB THR B 33 -10.520 -1.013 22.599 1.00 0.00 H new ATOM 0 HG1 THR B 33 -10.615 -3.349 22.815 1.00 0.00 H new ATOM 0 HG21 THR B 33 -12.598 -2.126 23.337 1.00 0.00 H new ATOM 0 HG22 THR B 33 -12.938 -0.679 22.358 1.00 0.00 H new ATOM 0 HG23 THR B 33 -13.102 -2.299 21.639 1.00 0.00 H new ATOM 807 N THR B 34 -11.888 0.892 19.359 1.00 0.00 N ATOM 808 CA THR B 34 -12.413 2.246 19.242 1.00 0.00 C ATOM 809 C THR B 34 -13.509 2.321 18.185 1.00 0.00 C ATOM 810 O THR B 34 -14.655 2.657 18.486 1.00 0.00 O ATOM 811 CB THR B 34 -11.306 3.257 18.885 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.560 2.790 17.756 1.00 0.00 O ATOM 813 CG2 THR B 34 -10.370 3.477 20.065 1.00 0.00 C ATOM 0 H THR B 34 -11.883 0.366 18.485 1.00 0.00 H new ATOM 0 HA THR B 34 -12.828 2.505 20.216 1.00 0.00 H new ATOM 0 HB THR B 34 -11.780 4.207 18.638 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.684 2.467 18.054 1.00 0.00 H new ATOM 0 HG21 THR B 34 -9.598 4.194 19.788 1.00 0.00 H new ATOM 0 HG22 THR B 34 -10.937 3.863 20.912 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.904 2.531 20.341 1.00 0.00 H new ATOM 821 N GLY B 35 -13.151 2.004 16.945 1.00 0.00 N ATOM 822 CA GLY B 35 -14.112 2.039 15.859 1.00 0.00 C ATOM 823 C GLY B 35 -13.461 2.365 14.530 1.00 0.00 C ATOM 824 O GLY B 35 -13.718 1.702 13.526 1.00 0.00 O ATOM 0 H GLY B 35 -12.209 1.723 16.673 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -14.614 1.074 15.789 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -14.879 2.782 16.078 1.00 0.00 H new ATOM 828 N PHE B 36 -12.614 3.388 14.531 1.00 0.00 N ATOM 829 CA PHE B 36 -11.915 3.804 13.324 1.00 0.00 C ATOM 830 C PHE B 36 -10.532 3.165 13.248 1.00 0.00 C ATOM 831 O PHE B 36 -9.623 3.535 13.990 1.00 0.00 O ATOM 832 CB PHE B 36 -11.789 5.328 13.287 1.00 0.00 C ATOM 833 CG PHE B 36 -12.973 6.019 12.672 1.00 0.00 C ATOM 834 CD1 PHE B 36 -14.248 5.829 13.181 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.808 6.862 11.583 1.00 0.00 C ATOM 836 CE1 PHE B 36 -15.337 6.465 12.615 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.895 7.499 11.014 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.159 7.302 11.531 1.00 0.00 C ATOM 0 H PHE B 36 -12.395 3.945 15.357 1.00 0.00 H new ATOM 0 HA PHE B 36 -12.495 3.472 12.463 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.652 5.697 14.304 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.893 5.596 12.728 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -14.392 5.177 14.030 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.821 7.022 11.176 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -16.326 6.308 13.020 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.755 8.151 10.165 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.008 7.802 11.089 1.00 0.00 H new ATOM 848 N ARG B 37 -10.389 2.192 12.356 1.00 0.00 N ATOM 849 CA ARG B 37 -9.119 1.498 12.171 1.00 0.00 C ATOM 850 C ARG B 37 -8.431 1.955 10.893 1.00 0.00 C ATOM 851 O ARG B 37 -8.707 3.037 10.379 1.00 0.00 O ATOM 852 CB ARG B 37 -9.343 -0.013 12.114 1.00 0.00 C ATOM 853 CG ARG B 37 -9.470 -0.671 13.479 1.00 0.00 C ATOM 854 CD ARG B 37 -8.150 -0.650 14.235 1.00 0.00 C ATOM 855 NE ARG B 37 -8.227 -1.391 15.491 1.00 0.00 N ATOM 856 CZ ARG B 37 -7.162 -1.814 16.163 1.00 0.00 C ATOM 857 NH1 ARG B 37 -5.941 -1.567 15.704 1.00 0.00 N ATOM 858 NH2 ARG B 37 -7.315 -2.486 17.296 1.00 0.00 N ATOM 0 H ARG B 37 -11.139 1.864 11.747 1.00 0.00 H new ATOM 0 HA ARG B 37 -8.480 1.739 13.020 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -10.247 -0.215 11.539 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -8.514 -0.473 11.576 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -10.233 -0.155 14.063 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -9.804 -1.701 13.357 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -7.367 -1.078 13.609 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.866 0.382 14.440 1.00 0.00 H new ATOM 0 HE ARG B 37 -9.150 -1.595 15.874 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.818 -1.051 14.833 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -5.126 -1.893 16.223 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -8.251 -2.679 17.652 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -6.497 -2.810 17.811 1.00 0.00 H new ATOM 872 N TRP B 38 -7.531 1.117 10.385 1.00 0.00 N ATOM 873 CA TRP B 38 -6.807 1.425 9.161 1.00 0.00 C ATOM 874 C TRP B 38 -7.033 0.336 8.121 1.00 0.00 C ATOM 875 O TRP B 38 -6.545 -0.786 8.266 1.00 0.00 O ATOM 876 CB TRP B 38 -5.310 1.587 9.441 1.00 0.00 C ATOM 877 CG TRP B 38 -4.989 2.775 10.297 1.00 0.00 C ATOM 878 CD1 TRP B 38 -5.004 2.828 11.660 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.605 4.080 9.846 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.655 4.087 12.086 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.405 4.874 10.992 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.411 4.657 8.587 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -4.023 6.211 10.915 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.030 5.985 8.512 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.839 6.749 9.671 1.00 0.00 C ATOM 0 H TRP B 38 -7.288 0.220 10.804 1.00 0.00 H new ATOM 0 HA TRP B 38 -7.188 2.368 8.769 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.940 0.686 9.930 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.778 1.677 8.494 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -5.254 2.002 12.309 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -4.592 4.387 13.059 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.556 4.076 7.688 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.877 6.803 11.807 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -3.877 6.440 7.545 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.541 7.783 9.580 1.00 0.00 H new ATOM 896 N GLU B 39 -7.776 0.672 7.072 1.00 0.00 N ATOM 897 CA GLU B 39 -8.074 -0.282 6.011 1.00 0.00 C ATOM 898 C GLU B 39 -7.046 -0.194 4.891 1.00 0.00 C ATOM 899 O GLU B 39 -6.842 0.866 4.300 1.00 0.00 O ATOM 900 CB GLU B 39 -9.476 -0.037 5.453 1.00 0.00 C ATOM 901 CG GLU B 39 -10.581 -0.226 6.479 1.00 0.00 C ATOM 902 CD GLU B 39 -11.966 -0.129 5.868 1.00 0.00 C ATOM 903 OE1 GLU B 39 -12.489 1.001 5.762 1.00 0.00 O ATOM 904 OE2 GLU B 39 -12.525 -1.181 5.496 1.00 0.00 O ATOM 0 H GLU B 39 -8.183 1.597 6.934 1.00 0.00 H new ATOM 0 HA GLU B 39 -8.031 -1.284 6.439 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.528 0.977 5.058 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.649 -0.714 4.617 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.466 -1.199 6.957 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -10.479 0.527 7.261 1.00 0.00 H new ATOM 911 N LEU B 40 -6.400 -1.320 4.602 1.00 0.00 N ATOM 912 CA LEU B 40 -5.396 -1.374 3.550 1.00 0.00 C ATOM 913 C LEU B 40 -6.048 -1.688 2.207 1.00 0.00 C ATOM 914 O LEU B 40 -6.361 -2.842 1.911 1.00 0.00 O ATOM 915 CB LEU B 40 -4.337 -2.431 3.879 1.00 0.00 C ATOM 916 CG LEU B 40 -2.906 -2.066 3.477 1.00 0.00 C ATOM 917 CD1 LEU B 40 -1.948 -3.191 3.845 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.824 -1.760 1.989 1.00 0.00 C ATOM 0 H LEU B 40 -6.556 -2.206 5.083 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.912 -0.399 3.485 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.359 -2.622 4.952 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.610 -3.363 3.384 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.615 -1.169 4.024 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -0.935 -2.916 3.553 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.982 -3.360 4.921 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.241 -4.103 3.325 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.798 -1.503 1.726 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.136 -2.636 1.420 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.479 -0.922 1.753 1.00 0.00 H new ATOM 930 N ARG B 41 -6.258 -0.652 1.402 1.00 0.00 N ATOM 931 CA ARG B 41 -6.881 -0.811 0.093 1.00 0.00 C ATOM 932 C ARG B 41 -5.952 -1.535 -0.876 1.00 0.00 C ATOM 933 O ARG B 41 -6.260 -2.634 -1.341 1.00 0.00 O ATOM 934 CB ARG B 41 -7.265 0.555 -0.481 1.00 0.00 C ATOM 935 CG ARG B 41 -8.161 1.378 0.435 1.00 0.00 C ATOM 936 CD ARG B 41 -9.554 0.778 0.553 1.00 0.00 C ATOM 937 NE ARG B 41 -9.561 -0.451 1.342 1.00 0.00 N ATOM 938 CZ ARG B 41 -10.639 -1.208 1.519 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.794 -0.864 0.964 1.00 0.00 N ATOM 940 NH2 ARG B 41 -10.564 -2.312 2.250 1.00 0.00 N ATOM 0 H ARG B 41 -6.005 0.309 1.634 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.780 -1.414 0.222 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.356 1.120 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.773 0.408 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.708 1.442 1.424 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.235 2.396 0.052 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -10.223 1.506 1.012 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -9.944 0.570 -0.444 1.00 0.00 H new ATOM 0 HE ARG B 41 -8.689 -0.745 1.782 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.856 -0.017 0.400 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.620 -1.447 1.102 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -9.678 -2.581 2.678 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -11.392 -2.892 2.385 1.00 0.00 H new ATOM 954 N ASN B 42 -4.818 -0.914 -1.176 1.00 0.00 N ATOM 955 CA ASN B 42 -3.846 -1.494 -2.097 1.00 0.00 C ATOM 956 C ASN B 42 -2.564 -1.892 -1.363 1.00 0.00 C ATOM 957 O ASN B 42 -1.698 -1.054 -1.126 1.00 0.00 O ATOM 958 CB ASN B 42 -3.525 -0.496 -3.211 1.00 0.00 C ATOM 959 CG ASN B 42 -2.710 -1.111 -4.334 1.00 0.00 C ATOM 960 OD1 ASN B 42 -1.944 -2.048 -4.120 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.873 -0.580 -5.540 1.00 0.00 N ATOM 0 H ASN B 42 -4.548 -0.007 -0.795 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.281 -2.394 -2.533 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.456 -0.101 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -2.977 0.347 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.351 -0.950 -6.335 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -3.520 0.197 -5.672 1.00 0.00 H new ATOM 968 N PRO B 43 -2.428 -3.178 -0.988 1.00 0.00 N ATOM 969 CA PRO B 43 -1.243 -3.671 -0.281 1.00 0.00 C ATOM 970 C PRO B 43 -0.059 -3.897 -1.216 1.00 0.00 C ATOM 971 O PRO B 43 1.017 -4.304 -0.781 1.00 0.00 O ATOM 972 CB PRO B 43 -1.720 -4.996 0.304 1.00 0.00 C ATOM 973 CG PRO B 43 -2.739 -5.483 -0.667 1.00 0.00 C ATOM 974 CD PRO B 43 -3.418 -4.252 -1.211 1.00 0.00 C ATOM 0 HA PRO B 43 -0.882 -2.960 0.462 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.898 -5.704 0.406 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -2.149 -4.861 1.297 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.272 -6.057 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.458 -6.142 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.658 -4.362 -2.268 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.354 -4.048 -0.691 1.00 0.00 H new ATOM 982 N ALA B 44 -0.268 -3.632 -2.503 1.00 0.00 N ATOM 983 CA ALA B 44 0.780 -3.810 -3.503 1.00 0.00 C ATOM 984 C ALA B 44 1.316 -5.237 -3.478 1.00 0.00 C ATOM 985 O ALA B 44 2.432 -5.499 -3.928 1.00 0.00 O ATOM 986 CB ALA B 44 1.909 -2.817 -3.271 1.00 0.00 C ATOM 0 H ALA B 44 -1.154 -3.293 -2.878 1.00 0.00 H new ATOM 0 HA ALA B 44 0.348 -3.624 -4.486 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.683 -2.963 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.520 -1.801 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.334 -2.975 -2.280 1.00 0.00 H new ATOM 992 N ALA B 45 0.510 -6.156 -2.958 1.00 0.00 N ATOM 993 CA ALA B 45 0.899 -7.558 -2.869 1.00 0.00 C ATOM 994 C ALA B 45 1.161 -8.147 -4.251 1.00 0.00 C ATOM 995 O ALA B 45 1.657 -9.268 -4.373 1.00 0.00 O ATOM 996 CB ALA B 45 -0.177 -8.357 -2.148 1.00 0.00 C ATOM 0 H ALA B 45 -0.420 -5.954 -2.591 1.00 0.00 H new ATOM 0 HA ALA B 45 1.826 -7.616 -2.299 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.125 -9.403 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.312 -7.960 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.116 -8.282 -2.697 1.00 0.00 H new ATOM 1002 N SER B 46 0.827 -7.387 -5.286 1.00 0.00 N ATOM 1003 CA SER B 46 1.026 -7.833 -6.660 1.00 0.00 C ATOM 1004 C SER B 46 2.511 -7.897 -7.007 1.00 0.00 C ATOM 1005 O SER B 46 2.928 -8.709 -7.832 1.00 0.00 O ATOM 1006 CB SER B 46 0.304 -6.897 -7.632 1.00 0.00 C ATOM 1007 OG SER B 46 0.475 -7.322 -8.972 1.00 0.00 O ATOM 0 H SER B 46 0.416 -6.457 -5.200 1.00 0.00 H new ATOM 0 HA SER B 46 0.608 -8.836 -6.751 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.758 -6.866 -7.390 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.687 -5.883 -7.517 1.00 0.00 H new ATOM 0 HG SER B 46 0.003 -6.708 -9.573 1.00 0.00 H new ATOM 1013 N VAL B 47 3.304 -7.038 -6.372 1.00 0.00 N ATOM 1014 CA VAL B 47 4.741 -7.005 -6.625 1.00 0.00 C ATOM 1015 C VAL B 47 5.540 -7.024 -5.323 1.00 0.00 C ATOM 1016 O VAL B 47 6.534 -7.742 -5.209 1.00 0.00 O ATOM 1017 CB VAL B 47 5.135 -5.764 -7.450 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.454 -5.795 -8.807 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.787 -4.486 -6.704 1.00 0.00 C ATOM 0 H VAL B 47 2.978 -6.360 -5.683 1.00 0.00 H new ATOM 0 HA VAL B 47 4.981 -7.902 -7.196 1.00 0.00 H new ATOM 0 HB VAL B 47 6.214 -5.782 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.741 -4.913 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.758 -6.692 -9.346 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.373 -5.803 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.074 -3.624 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.714 -4.456 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.323 -4.461 -5.755 1.00 0.00 H new ATOM 1029 N LEU B 48 5.101 -6.238 -4.345 1.00 0.00 N ATOM 1030 CA LEU B 48 5.781 -6.179 -3.055 1.00 0.00 C ATOM 1031 C LEU B 48 5.296 -7.299 -2.142 1.00 0.00 C ATOM 1032 O LEU B 48 4.131 -7.329 -1.744 1.00 0.00 O ATOM 1033 CB LEU B 48 5.548 -4.820 -2.385 1.00 0.00 C ATOM 1034 CG LEU B 48 5.682 -3.606 -3.305 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.393 -2.325 -2.537 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.070 -3.555 -3.926 1.00 0.00 C ATOM 0 H LEU B 48 4.281 -5.636 -4.420 1.00 0.00 H new ATOM 0 HA LEU B 48 6.850 -6.306 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.549 -4.815 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.256 -4.712 -1.563 1.00 0.00 H new ATOM 0 HG LEU B 48 4.952 -3.700 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.492 -1.470 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.378 -2.360 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU B 48 6.101 -2.227 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.145 -2.684 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.819 -3.484 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.241 -4.460 -4.509 1.00 0.00 H new ATOM 1048 N LYS B 49 6.197 -8.218 -1.812 1.00 0.00 N ATOM 1049 CA LYS B 49 5.860 -9.343 -0.949 1.00 0.00 C ATOM 1050 C LYS B 49 5.716 -8.892 0.500 1.00 0.00 C ATOM 1051 O LYS B 49 6.523 -8.109 0.999 1.00 0.00 O ATOM 1052 CB LYS B 49 6.930 -10.431 -1.060 1.00 0.00 C ATOM 1053 CG LYS B 49 6.618 -11.677 -0.251 1.00 0.00 C ATOM 1054 CD LYS B 49 7.741 -12.695 -0.352 1.00 0.00 C ATOM 1055 CE LYS B 49 9.002 -12.211 0.346 1.00 0.00 C ATOM 1056 NZ LYS B 49 10.087 -13.228 0.300 1.00 0.00 N ATOM 0 H LYS B 49 7.166 -8.205 -2.129 1.00 0.00 H new ATOM 0 HA LYS B 49 4.904 -9.751 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS B 49 7.047 -10.708 -2.108 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.886 -10.024 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.463 -11.406 0.793 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.688 -12.121 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.419 -13.638 0.091 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.959 -12.894 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.347 -11.291 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS B 49 8.773 -11.971 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 10.929 -12.860 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 9.768 -14.098 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 10.324 -13.438 -0.691 1.00 0.00 H new ATOM 1070 N ARG B 50 4.686 -9.394 1.173 1.00 0.00 N ATOM 1071 CA ARG B 50 4.433 -9.035 2.564 1.00 0.00 C ATOM 1072 C ARG B 50 5.301 -9.853 3.513 1.00 0.00 C ATOM 1073 O ARG B 50 5.715 -10.966 3.187 1.00 0.00 O ATOM 1074 CB ARG B 50 2.953 -9.238 2.905 1.00 0.00 C ATOM 1075 CG ARG B 50 2.473 -10.667 2.707 1.00 0.00 C ATOM 1076 CD ARG B 50 0.998 -10.809 3.045 1.00 0.00 C ATOM 1077 NE ARG B 50 0.718 -10.449 4.433 1.00 0.00 N ATOM 1078 CZ ARG B 50 -0.500 -10.455 4.965 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -1.549 -10.802 4.227 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -0.674 -10.116 6.233 1.00 0.00 N ATOM 0 H ARG B 50 4.013 -10.051 0.778 1.00 0.00 H new ATOM 0 HA ARG B 50 4.689 -7.983 2.689 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.785 -8.947 3.942 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.352 -8.572 2.286 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.642 -10.969 1.673 1.00 0.00 H new ATOM 0 HG3 ARG B 50 3.058 -11.339 3.335 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.411 -10.175 2.380 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.682 -11.837 2.866 1.00 0.00 H new ATOM 0 HE ARG B 50 1.501 -10.178 5.027 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.421 -11.065 3.250 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.483 -10.806 4.638 1.00 0.00 H new ATOM 0 HH21 ARG B 50 0.128 -9.849 6.804 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -1.610 -10.122 6.639 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.630 -0.769 18.758 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.299 0.118 17.647 1.00 0.00 C ATOM 1351 C GLU B 71 -0.238 -0.655 16.335 1.00 0.00 C ATOM 1352 O GLU B 71 0.330 -1.745 16.270 1.00 0.00 O ATOM 1353 CB GLU B 71 1.037 0.815 17.906 1.00 0.00 C ATOM 1354 CG GLU B 71 2.186 -0.147 18.162 1.00 0.00 C ATOM 1355 CD GLU B 71 3.494 0.566 18.444 1.00 0.00 C ATOM 1356 OE1 GLU B 71 3.713 0.968 19.606 1.00 0.00 O ATOM 1357 OE2 GLU B 71 4.302 0.719 17.504 1.00 0.00 O ATOM 0 HA GLU B 71 -1.084 0.871 17.567 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.283 1.441 17.048 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.931 1.478 18.765 1.00 0.00 H new ATOM 0 HG2 GLU B 71 1.936 -0.788 19.008 1.00 0.00 H new ATOM 0 HG3 GLU B 71 2.310 -0.797 17.296 1.00 0.00 H new ATOM 1364 N SER B 72 -0.829 -0.083 15.289 1.00 0.00 N ATOM 1365 CA SER B 72 -0.839 -0.719 13.974 1.00 0.00 C ATOM 1366 C SER B 72 0.540 -0.642 13.327 1.00 0.00 C ATOM 1367 O SER B 72 1.110 0.440 13.187 1.00 0.00 O ATOM 1368 CB SER B 72 -1.879 -0.055 13.070 1.00 0.00 C ATOM 1369 OG SER B 72 -1.596 1.322 12.888 1.00 0.00 O ATOM 0 H SER B 72 -1.306 0.818 15.326 1.00 0.00 H new ATOM 0 HA SER B 72 -1.103 -1.768 14.105 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.896 -0.556 12.102 1.00 0.00 H new ATOM 0 HB3 SER B 72 -2.871 -0.170 13.507 1.00 0.00 H new ATOM 0 HG SER B 72 -1.476 1.749 13.762 1.00 0.00 H new ATOM 1375 N THR B 73 1.069 -1.796 12.932 1.00 0.00 N ATOM 1376 CA THR B 73 2.382 -1.857 12.301 1.00 0.00 C ATOM 1377 C THR B 73 2.326 -2.631 10.987 1.00 0.00 C ATOM 1378 O THR B 73 1.612 -3.626 10.871 1.00 0.00 O ATOM 1379 CB THR B 73 3.418 -2.518 13.230 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.463 -1.826 14.484 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.801 -2.511 12.596 1.00 0.00 C ATOM 0 H THR B 73 0.609 -2.700 13.038 1.00 0.00 H new ATOM 0 HA THR B 73 2.686 -0.830 12.100 1.00 0.00 H new ATOM 0 HB THR B 73 3.116 -3.552 13.393 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.122 -2.253 15.070 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.514 -2.983 13.272 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.773 -3.062 11.656 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.109 -1.483 12.405 1.00 0.00 H new ATOM 1389 N TRP B 74 3.084 -2.163 10.001 1.00 0.00 N ATOM 1390 CA TRP B 74 3.125 -2.808 8.693 1.00 0.00 C ATOM 1391 C TRP B 74 4.560 -3.142 8.299 1.00 0.00 C ATOM 1392 O TRP B 74 5.505 -2.498 8.756 1.00 0.00 O ATOM 1393 CB TRP B 74 2.491 -1.909 7.632 1.00 0.00 C ATOM 1394 CG TRP B 74 1.032 -1.653 7.857 1.00 0.00 C ATOM 1395 CD1 TRP B 74 -0.001 -2.503 7.580 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.441 -0.467 8.398 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.197 -1.918 7.918 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -0.954 -0.667 8.422 1.00 0.00 C ATOM 1399 CE3 TRP B 74 0.954 0.746 8.865 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -1.838 0.298 8.895 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 0.075 1.705 9.333 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -1.306 1.476 9.346 1.00 0.00 C ATOM 0 H TRP B 74 3.679 -1.339 10.083 1.00 0.00 H new ATOM 0 HA TRP B 74 2.556 -3.735 8.757 1.00 0.00 H new ATOM 0 HB2 TRP B 74 3.020 -0.956 7.612 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.624 -2.368 6.652 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.107 -3.491 7.157 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -2.117 -2.345 7.811 1.00 0.00 H new ATOM 0 HE3 TRP B 74 2.018 0.931 8.860 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -2.904 0.124 8.906 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 0.460 2.647 9.695 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -1.966 2.245 9.720 1.00 0.00 H new ATOM 1413 N ARG B 75 4.712 -4.153 7.450 1.00 0.00 N ATOM 1414 CA ARG B 75 6.031 -4.578 6.991 1.00 0.00 C ATOM 1415 C ARG B 75 5.943 -5.167 5.585 1.00 0.00 C ATOM 1416 O ARG B 75 5.087 -6.007 5.310 1.00 0.00 O ATOM 1417 CB ARG B 75 6.619 -5.605 7.954 1.00 0.00 C ATOM 1418 CG ARG B 75 8.053 -5.988 7.632 1.00 0.00 C ATOM 1419 CD ARG B 75 8.645 -6.865 8.720 1.00 0.00 C ATOM 1420 NE ARG B 75 10.008 -7.286 8.406 1.00 0.00 N ATOM 1421 CZ ARG B 75 10.678 -8.198 9.108 1.00 0.00 C ATOM 1422 NH1 ARG B 75 10.113 -8.777 10.159 1.00 0.00 N ATOM 1423 NH2 ARG B 75 11.915 -8.526 8.760 1.00 0.00 N ATOM 0 H ARG B 75 3.938 -4.694 7.065 1.00 0.00 H new ATOM 0 HA ARG B 75 6.685 -3.706 6.963 1.00 0.00 H new ATOM 0 HB2 ARG B 75 6.577 -5.206 8.968 1.00 0.00 H new ATOM 0 HB3 ARG B 75 6.000 -6.502 7.938 1.00 0.00 H new ATOM 0 HG2 ARG B 75 8.086 -6.515 6.678 1.00 0.00 H new ATOM 0 HG3 ARG B 75 8.656 -5.087 7.519 1.00 0.00 H new ATOM 0 HD2 ARG B 75 8.643 -6.321 9.665 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.017 -7.745 8.857 1.00 0.00 H new ATOM 0 HE ARG B 75 10.472 -6.858 7.605 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.163 -8.524 10.431 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.628 -9.475 10.695 1.00 0.00 H new ATOM 0 HH21 ARG B 75 12.354 -8.080 7.954 1.00 0.00 H new ATOM 0 HH22 ARG B 75 12.428 -9.225 9.298 1.00 0.00 H new ATOM 1437 N PHE B 76 6.830 -4.722 4.697 1.00 0.00 N ATOM 1438 CA PHE B 76 6.835 -5.208 3.322 1.00 0.00 C ATOM 1439 C PHE B 76 8.255 -5.453 2.814 1.00 0.00 C ATOM 1440 O PHE B 76 9.232 -4.995 3.409 1.00 0.00 O ATOM 1441 CB PHE B 76 6.126 -4.210 2.405 1.00 0.00 C ATOM 1442 CG PHE B 76 4.672 -4.014 2.735 1.00 0.00 C ATOM 1443 CD1 PHE B 76 4.274 -2.993 3.583 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.708 -4.851 2.198 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.938 -2.812 3.889 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.373 -4.674 2.499 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.986 -3.652 3.346 1.00 0.00 C ATOM 0 H PHE B 76 7.550 -4.030 4.905 1.00 0.00 H new ATOM 0 HA PHE B 76 6.302 -6.159 3.310 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.636 -3.249 2.465 1.00 0.00 H new ATOM 0 HB3 PHE B 76 6.213 -4.552 1.374 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.015 -2.332 4.009 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.005 -5.651 1.536 1.00 0.00 H new ATOM 0 HE1 PHE B 76 2.639 -2.014 4.552 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.631 -5.333 2.073 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.942 -3.511 3.582 1.00 0.00 H new ATOM 1457 N ARG B 77 8.348 -6.181 1.705 1.00 0.00 N ATOM 1458 CA ARG B 77 9.628 -6.507 1.085 1.00 0.00 C ATOM 1459 C ARG B 77 9.475 -6.598 -0.430 1.00 0.00 C ATOM 1460 O ARG B 77 8.603 -7.310 -0.929 1.00 0.00 O ATOM 1461 CB ARG B 77 10.163 -7.835 1.632 1.00 0.00 C ATOM 1462 CG ARG B 77 11.279 -8.443 0.793 1.00 0.00 C ATOM 1463 CD ARG B 77 12.635 -7.856 1.146 1.00 0.00 C ATOM 1464 NE ARG B 77 13.165 -8.415 2.386 1.00 0.00 N ATOM 1465 CZ ARG B 77 14.455 -8.651 2.597 1.00 0.00 C ATOM 1466 NH1 ARG B 77 15.347 -8.377 1.653 1.00 0.00 N ATOM 1467 NH2 ARG B 77 14.858 -9.163 3.753 1.00 0.00 N ATOM 0 H ARG B 77 7.540 -6.561 1.212 1.00 0.00 H new ATOM 0 HA ARG B 77 10.337 -5.714 1.323 1.00 0.00 H new ATOM 0 HB2 ARG B 77 10.529 -7.678 2.647 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.341 -8.548 1.697 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.300 -9.522 0.944 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.073 -8.273 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG B 77 13.336 -8.047 0.333 1.00 0.00 H new ATOM 0 HD3 ARG B 77 12.548 -6.774 1.244 1.00 0.00 H new ATOM 0 HE ARG B 77 12.507 -8.637 3.133 1.00 0.00 H new ATOM 0 HH11 ARG B 77 15.043 -7.984 0.762 1.00 0.00 H new ATOM 0 HH12 ARG B 77 16.337 -8.559 1.818 1.00 0.00 H new ATOM 0 HH21 ARG B 77 14.177 -9.376 4.482 1.00 0.00 H new ATOM 0 HH22 ARG B 77 15.849 -9.343 3.913 1.00 0.00 H new ATOM 1481 N VAL B 78 10.325 -5.883 -1.156 1.00 0.00 N ATOM 1482 CA VAL B 78 10.275 -5.900 -2.614 1.00 0.00 C ATOM 1483 C VAL B 78 10.935 -7.164 -3.156 1.00 0.00 C ATOM 1484 O VAL B 78 12.118 -7.409 -2.911 1.00 0.00 O ATOM 1485 CB VAL B 78 10.964 -4.663 -3.216 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.615 -4.524 -4.690 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.567 -3.413 -2.447 1.00 0.00 C ATOM 0 H VAL B 78 11.054 -5.287 -0.763 1.00 0.00 H new ATOM 0 HA VAL B 78 9.224 -5.885 -2.904 1.00 0.00 H new ATOM 0 HB VAL B 78 12.044 -4.789 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.111 -3.644 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.948 -5.412 -5.228 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.536 -4.417 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.061 -2.545 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.486 -3.280 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.868 -3.516 -1.405 1.00 0.00 H new ATOM 1497 N ALA B 79 10.167 -7.962 -3.891 1.00 0.00 N ATOM 1498 CA ALA B 79 10.678 -9.210 -4.449 1.00 0.00 C ATOM 1499 C ALA B 79 10.837 -9.139 -5.965 1.00 0.00 C ATOM 1500 O ALA B 79 11.844 -9.589 -6.510 1.00 0.00 O ATOM 1501 CB ALA B 79 9.761 -10.364 -4.070 1.00 0.00 C ATOM 0 H ALA B 79 9.191 -7.768 -4.114 1.00 0.00 H new ATOM 0 HA ALA B 79 11.669 -9.377 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA B 79 10.150 -11.291 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.714 -10.450 -2.984 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.761 -10.179 -4.463 1.00 0.00 H new ATOM 1507 N ALA B 80 9.843 -8.573 -6.646 1.00 0.00 N ATOM 1508 CA ALA B 80 9.890 -8.467 -8.102 1.00 0.00 C ATOM 1509 C ALA B 80 9.505 -7.074 -8.579 1.00 0.00 C ATOM 1510 O ALA B 80 9.164 -6.200 -7.781 1.00 0.00 O ATOM 1511 CB ALA B 80 8.982 -9.505 -8.741 1.00 0.00 C ATOM 0 H ALA B 80 9.003 -8.184 -6.218 1.00 0.00 H new ATOM 0 HA ALA B 80 10.919 -8.653 -8.409 1.00 0.00 H new ATOM 0 HB1 ALA B 80 9.029 -9.411 -9.826 1.00 0.00 H new ATOM 0 HB2 ALA B 80 9.308 -10.503 -8.448 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.956 -9.346 -8.408 1.00 0.00 H new ATOM 1517 N SER B 81 9.566 -6.880 -9.892 1.00 0.00 N ATOM 1518 CA SER B 81 9.235 -5.609 -10.497 1.00 0.00 C ATOM 1519 C SER B 81 7.732 -5.470 -10.686 1.00 0.00 C ATOM 1520 O SER B 81 6.952 -6.270 -10.173 1.00 0.00 O ATOM 1521 CB SER B 81 9.944 -5.479 -11.841 1.00 0.00 C ATOM 1522 OG SER B 81 9.211 -6.119 -12.870 1.00 0.00 O ATOM 0 H SER B 81 9.846 -7.600 -10.558 1.00 0.00 H new ATOM 0 HA SER B 81 9.569 -4.813 -9.831 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.075 -4.425 -12.086 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.940 -5.917 -11.774 1.00 0.00 H new ATOM 0 HG SER B 81 9.687 -6.019 -13.721 1.00 0.00 H new ATOM 1528 N GLY B 82 7.344 -4.451 -11.435 1.00 0.00 N ATOM 1529 CA GLY B 82 5.938 -4.202 -11.693 1.00 0.00 C ATOM 1530 C GLY B 82 5.478 -2.868 -11.141 1.00 0.00 C ATOM 1531 O GLY B 82 6.065 -2.342 -10.195 1.00 0.00 O ATOM 0 H GLY B 82 7.981 -3.786 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY B 82 5.758 -4.229 -12.768 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.343 -5.000 -11.250 1.00 0.00 H new ATOM 1535 N ASP B 83 4.423 -2.320 -11.734 1.00 0.00 N ATOM 1536 CA ASP B 83 3.879 -1.043 -11.303 1.00 0.00 C ATOM 1537 C ASP B 83 2.831 -1.237 -10.212 1.00 0.00 C ATOM 1538 O ASP B 83 1.825 -1.914 -10.418 1.00 0.00 O ATOM 1539 CB ASP B 83 3.261 -0.316 -12.495 1.00 0.00 C ATOM 1540 CG ASP B 83 4.296 0.090 -13.528 1.00 0.00 C ATOM 1541 OD1 ASP B 83 4.835 1.212 -13.418 1.00 0.00 O ATOM 1542 OD2 ASP B 83 4.567 -0.715 -14.444 1.00 0.00 O ATOM 0 H ASP B 83 3.927 -2.745 -12.518 1.00 0.00 H new ATOM 0 HA ASP B 83 4.692 -0.443 -10.893 1.00 0.00 H new ATOM 0 HB2 ASP B 83 2.518 -0.961 -12.964 1.00 0.00 H new ATOM 0 HB3 ASP B 83 2.736 0.572 -12.143 1.00 0.00 H new ATOM 1547 N ASP B 84 3.076 -0.639 -9.048 1.00 0.00 N ATOM 1548 CA ASP B 84 2.153 -0.749 -7.927 1.00 0.00 C ATOM 1549 C ASP B 84 2.020 0.589 -7.209 1.00 0.00 C ATOM 1550 O ASP B 84 2.745 1.539 -7.503 1.00 0.00 O ATOM 1551 CB ASP B 84 2.634 -1.816 -6.943 1.00 0.00 C ATOM 1552 CG ASP B 84 3.856 -1.374 -6.162 1.00 0.00 C ATOM 1553 OD1 ASP B 84 4.978 -1.496 -6.694 1.00 0.00 O ATOM 1554 OD2 ASP B 84 3.690 -0.907 -5.016 1.00 0.00 O ATOM 0 H ASP B 84 3.905 -0.075 -8.859 1.00 0.00 H new ATOM 0 HA ASP B 84 1.177 -1.038 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.829 -2.055 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.866 -2.731 -7.488 1.00 0.00 H new ATOM 1559 N ARG B 85 1.088 0.652 -6.271 1.00 0.00 N ATOM 1560 CA ARG B 85 0.855 1.861 -5.505 1.00 0.00 C ATOM 1561 C ARG B 85 0.115 1.537 -4.212 1.00 0.00 C ATOM 1562 O ARG B 85 -1.089 1.279 -4.222 1.00 0.00 O ATOM 1563 CB ARG B 85 0.052 2.856 -6.335 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.258 4.138 -5.590 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.151 5.052 -6.412 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.489 5.517 -7.626 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.020 6.405 -8.462 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.214 6.926 -8.212 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.355 6.776 -9.547 1.00 0.00 N ATOM 0 H ARG B 85 0.478 -0.127 -6.023 1.00 0.00 H new ATOM 0 HA ARG B 85 1.817 2.306 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.607 3.095 -7.242 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.882 2.389 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.747 3.903 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.671 4.655 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -2.065 4.522 -6.678 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.445 5.910 -5.808 1.00 0.00 H new ATOM 0 HE ARG B 85 0.433 5.140 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.728 6.646 -7.377 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.618 7.607 -8.855 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.565 6.380 -9.742 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.763 7.457 -10.187 1.00 0.00 H new ATOM 1583 N LEU B 86 0.841 1.553 -3.098 1.00 0.00 N ATOM 1584 CA LEU B 86 0.251 1.254 -1.798 1.00 0.00 C ATOM 1585 C LEU B 86 -0.848 2.258 -1.461 1.00 0.00 C ATOM 1586 O LEU B 86 -0.688 3.458 -1.674 1.00 0.00 O ATOM 1587 CB LEU B 86 1.327 1.264 -0.711 1.00 0.00 C ATOM 1588 CG LEU B 86 1.068 0.314 0.461 1.00 0.00 C ATOM 1589 CD1 LEU B 86 1.178 -1.132 0.008 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.037 0.590 1.600 1.00 0.00 C ATOM 0 H LEU B 86 1.837 1.770 -3.070 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.193 0.259 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.284 1.005 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.422 2.278 -0.323 1.00 0.00 H new ATOM 0 HG LEU B 86 0.055 0.487 0.824 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.991 -1.794 0.854 1.00 0.00 H new ATOM 0 HD12 LEU B 86 0.443 -1.325 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.179 -1.316 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.836 -0.096 2.423 1.00 0.00 H new ATOM 0 HD22 LEU B 86 3.060 0.448 1.250 1.00 0.00 H new ATOM 0 HD23 LEU B 86 1.911 1.617 1.944 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.963 1.758 -0.938 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.090 2.614 -0.582 1.00 0.00 C ATOM 1604 C GLU B 87 -3.674 2.223 0.775 1.00 0.00 C ATOM 1605 O GLU B 87 -4.121 1.095 0.967 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.177 2.540 -1.656 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.671 2.853 -3.056 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.770 3.335 -3.981 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -4.999 4.560 -4.044 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.403 2.485 -4.642 1.00 0.00 O ATOM 0 H GLU B 87 -2.111 0.766 -0.751 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.722 3.638 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.614 1.541 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.975 3.238 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.893 3.614 -2.995 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.211 1.960 -3.480 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.664 3.171 1.709 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.193 2.938 3.050 1.00 0.00 C ATOM 1619 C LEU B 88 -5.046 4.117 3.504 1.00 0.00 C ATOM 1620 O LEU B 88 -4.827 5.250 3.079 1.00 0.00 O ATOM 1621 CB LEU B 88 -3.054 2.713 4.049 1.00 0.00 C ATOM 1622 CG LEU B 88 -2.087 1.579 3.703 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -1.024 2.062 2.727 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.444 1.026 4.965 1.00 0.00 C ATOM 0 H LEU B 88 -3.294 4.110 1.561 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.815 2.043 3.014 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.484 3.638 4.138 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.488 2.511 5.028 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.651 0.778 3.225 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.346 1.242 2.493 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.502 2.410 1.811 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.462 2.880 3.177 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.759 0.220 4.701 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.893 1.819 5.471 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.218 0.641 5.629 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.017 3.845 4.373 1.00 0.00 N ATOM 1637 CA VAL B 89 -6.897 4.891 4.885 1.00 0.00 C ATOM 1638 C VAL B 89 -7.250 4.644 6.350 1.00 0.00 C ATOM 1639 O VAL B 89 -7.029 3.552 6.877 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.196 4.997 4.063 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -7.889 5.265 2.597 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.037 3.740 4.219 1.00 0.00 C ATOM 0 H VAL B 89 -6.213 2.912 4.736 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.350 5.830 4.798 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.772 5.839 4.446 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -8.821 5.336 2.037 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.339 6.202 2.506 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.286 4.450 2.197 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.949 3.837 3.630 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.470 2.877 3.870 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.296 3.603 5.269 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.809 5.662 6.999 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.189 5.564 8.405 1.00 0.00 C ATOM 1654 C TYR B 90 -9.693 5.730 8.581 1.00 0.00 C ATOM 1655 O TYR B 90 -10.215 6.844 8.533 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.443 6.625 9.217 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.900 6.748 10.653 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.547 7.894 11.098 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.680 5.723 11.564 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.961 8.015 12.411 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -8.091 5.836 12.877 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.731 6.984 13.297 1.00 0.00 C ATOM 1663 OH TYR B 90 -9.142 7.100 14.604 1.00 0.00 O ATOM 0 H TYR B 90 -8.009 6.566 6.572 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.916 4.573 8.766 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.378 6.391 9.206 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -7.562 7.591 8.726 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.729 8.703 10.407 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -7.179 4.823 11.240 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.462 8.913 12.741 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.912 5.029 13.573 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.905 6.286 15.095 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.384 4.615 8.785 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.829 4.632 8.972 1.00 0.00 C ATOM 1675 C ARG B 91 -12.319 3.293 9.508 1.00 0.00 C ATOM 1676 O ARG B 91 -11.533 2.364 9.696 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.532 4.958 7.652 1.00 0.00 C ATOM 1678 CG ARG B 91 -12.222 3.974 6.537 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.905 4.369 5.238 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.597 3.442 4.151 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.943 3.649 2.886 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.605 4.746 2.546 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.626 2.758 1.956 1.00 0.00 N ATOM 0 H ARG B 91 -9.965 3.686 8.825 1.00 0.00 H new ATOM 0 HA ARG B 91 -12.070 5.406 9.701 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.609 4.977 7.819 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.241 5.959 7.333 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -11.144 3.926 6.382 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.547 2.976 6.831 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.984 4.402 5.391 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.593 5.374 4.956 1.00 0.00 H new ATOM 0 HE ARG B 91 -12.087 2.588 4.377 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -13.850 5.435 3.257 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -13.869 4.901 1.573 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -12.116 1.913 2.212 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.892 2.918 0.984 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.621 3.201 9.759 1.00 0.00 N ATOM 1698 CA ARG B 92 -14.216 1.973 10.273 1.00 0.00 C ATOM 1699 C ARG B 92 -13.856 0.788 9.373 1.00 0.00 C ATOM 1700 O ARG B 92 -14.159 0.799 8.179 1.00 0.00 O ATOM 1701 CB ARG B 92 -15.733 2.131 10.380 1.00 0.00 C ATOM 1702 CG ARG B 92 -16.154 3.330 11.219 1.00 0.00 C ATOM 1703 CD ARG B 92 -17.666 3.480 11.275 1.00 0.00 C ATOM 1704 NE ARG B 92 -18.069 4.832 11.653 1.00 0.00 N ATOM 1705 CZ ARG B 92 -19.260 5.353 11.376 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -20.161 4.640 10.715 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -19.550 6.589 11.757 1.00 0.00 N ATOM 0 H ARG B 92 -14.284 3.962 9.615 1.00 0.00 H new ATOM 0 HA ARG B 92 -13.817 1.777 11.268 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -16.153 2.231 9.379 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -16.156 1.225 10.814 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -15.762 3.221 12.230 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -15.714 4.237 10.803 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -18.091 3.234 10.302 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -18.075 2.767 11.991 1.00 0.00 H new ATOM 0 HE ARG B 92 -17.398 5.410 12.159 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -19.941 3.689 10.418 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -21.074 5.042 10.504 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -18.859 7.142 12.264 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -20.464 6.987 11.544 1.00 0.00 H new ATOM 1721 N PRO B 93 -13.202 -0.248 9.934 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.777 -1.427 9.166 1.00 0.00 C ATOM 1723 C PRO B 93 -13.931 -2.346 8.768 1.00 0.00 C ATOM 1724 O PRO B 93 -13.707 -3.425 8.219 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.830 -2.142 10.130 1.00 0.00 C ATOM 1726 CG PRO B 93 -12.330 -1.773 11.480 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.826 -0.359 11.358 1.00 0.00 C ATOM 0 HA PRO B 93 -12.325 -1.143 8.216 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -11.851 -3.221 9.980 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -10.799 -1.820 9.986 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -13.130 -2.442 11.798 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -11.538 -1.847 12.225 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.677 -0.174 12.014 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -12.054 0.362 11.627 1.00 0.00 H new ATOM 1735 N TRP B 94 -15.161 -1.925 9.044 1.00 0.00 N ATOM 1736 CA TRP B 94 -16.329 -2.724 8.698 1.00 0.00 C ATOM 1737 C TRP B 94 -17.173 -2.024 7.636 1.00 0.00 C ATOM 1738 O TRP B 94 -18.310 -2.413 7.376 1.00 0.00 O ATOM 1739 CB TRP B 94 -17.174 -3.004 9.941 1.00 0.00 C ATOM 1740 CG TRP B 94 -17.660 -1.769 10.632 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -18.681 -0.954 10.232 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -17.153 -1.210 11.849 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -18.834 0.081 11.122 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -17.909 -0.056 12.123 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -16.133 -1.573 12.732 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -17.675 0.738 13.241 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -15.903 -0.783 13.843 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -16.672 0.361 14.089 1.00 0.00 C ATOM 0 H TRP B 94 -15.373 -1.040 9.504 1.00 0.00 H new ATOM 0 HA TRP B 94 -15.979 -3.672 8.290 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -18.033 -3.611 9.656 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.586 -3.594 10.643 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -19.280 -1.102 9.346 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -19.524 0.829 11.049 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -15.535 -2.454 12.550 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -18.266 1.622 13.432 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -15.117 -1.053 14.533 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -16.468 0.957 14.966 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.601 -0.991 7.024 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.295 -0.230 5.991 1.00 0.00 C ATOM 1761 C GLU B 95 -16.676 -0.478 4.620 1.00 0.00 C ATOM 1762 O GLU B 95 -15.507 -0.845 4.512 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.255 1.264 6.321 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.978 1.619 7.604 1.00 0.00 C ATOM 1765 CD GLU B 95 -19.483 1.470 7.489 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -19.986 0.347 7.696 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -20.156 2.479 7.191 1.00 0.00 O ATOM 0 H GLU B 95 -15.657 -0.662 7.226 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.332 -0.563 5.963 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.216 1.583 6.399 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.699 1.822 5.497 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -17.614 0.981 8.409 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -17.739 2.646 7.879 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.470 -0.273 3.573 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.003 -0.472 2.206 1.00 0.00 C ATOM 1776 C LYS B 96 -16.521 0.846 1.607 1.00 0.00 C ATOM 1777 O LYS B 96 -15.393 0.941 1.122 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.124 -1.065 1.346 1.00 0.00 C ATOM 1779 CG LYS B 96 -17.654 -1.603 0.001 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.517 -0.498 -1.035 1.00 0.00 C ATOM 1781 CE LYS B 96 -17.111 -1.054 -2.392 1.00 0.00 C ATOM 1782 NZ LYS B 96 -15.801 -1.757 -2.336 1.00 0.00 N ATOM 0 H LYS B 96 -18.441 0.031 3.646 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.166 -1.170 2.225 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.605 -1.871 1.900 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.881 -0.299 1.175 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -16.694 -2.105 0.126 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -18.361 -2.351 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -18.463 0.035 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.774 0.226 -0.700 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -17.878 -1.743 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -17.055 -0.241 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.472 -1.956 -3.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -15.105 -1.156 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -15.909 -2.651 -1.816 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.381 1.859 1.647 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.041 3.170 1.107 1.00 0.00 C ATOM 1798 C ASP B 97 -17.567 4.283 2.009 1.00 0.00 C ATOM 1799 O ASP B 97 -18.752 4.613 1.979 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.610 3.330 -0.303 1.00 0.00 C ATOM 1801 CG ASP B 97 -17.266 4.672 -0.917 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -16.222 4.764 -1.597 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.042 5.632 -0.721 1.00 0.00 O ATOM 0 H ASP B 97 -18.317 1.797 2.047 1.00 0.00 H new ATOM 0 HA ASP B 97 -15.954 3.245 1.062 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -17.225 2.533 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.694 3.216 -0.270 1.00 0.00 H new ATOM 1808 N ALA B 98 -16.677 4.854 2.812 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.047 5.932 3.723 1.00 0.00 C ATOM 1810 C ALA B 98 -16.047 7.082 3.641 1.00 0.00 C ATOM 1811 O ALA B 98 -15.183 7.104 2.765 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.139 5.409 5.148 1.00 0.00 C ATOM 0 H ALA B 98 -15.693 4.589 2.851 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.024 6.311 3.425 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.416 6.224 5.817 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -17.894 4.624 5.200 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.173 5.004 5.450 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.174 8.036 4.558 1.00 0.00 N ATOM 1819 CA GLU B 99 -15.281 9.189 4.592 1.00 0.00 C ATOM 1820 C GLU B 99 -14.256 9.052 5.719 1.00 0.00 C ATOM 1821 O GLU B 99 -14.552 9.363 6.874 1.00 0.00 O ATOM 1822 CB GLU B 99 -16.086 10.476 4.774 1.00 0.00 C ATOM 1823 CG GLU B 99 -17.080 10.735 3.653 1.00 0.00 C ATOM 1824 CD GLU B 99 -16.412 10.874 2.300 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -16.276 9.850 1.598 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -16.024 12.006 1.942 1.00 0.00 O ATOM 0 H GLU B 99 -16.887 8.033 5.288 1.00 0.00 H new ATOM 0 HA GLU B 99 -14.747 9.233 3.643 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -16.623 10.428 5.721 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -15.398 11.319 4.840 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -17.800 9.918 3.616 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -17.640 11.644 3.872 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.036 8.577 5.401 1.00 0.00 N ATOM 1834 CA PRO B 100 -11.976 8.404 6.398 1.00 0.00 C ATOM 1835 C PRO B 100 -11.390 9.731 6.863 1.00 0.00 C ATOM 1836 O PRO B 100 -11.134 10.625 6.056 1.00 0.00 O ATOM 1837 CB PRO B 100 -10.921 7.585 5.652 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.122 7.926 4.218 1.00 0.00 C ATOM 1839 CD PRO B 100 -12.597 8.172 4.050 1.00 0.00 C ATOM 0 HA PRO B 100 -12.345 7.927 7.306 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -9.914 7.841 5.983 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.052 6.517 5.827 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -10.546 8.809 3.943 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -10.787 7.113 3.574 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -12.792 8.952 3.314 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.117 7.276 3.711 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.178 9.854 8.171 1.00 0.00 N ATOM 1848 CA ALA B 101 -10.617 11.073 8.743 1.00 0.00 C ATOM 1849 C ALA B 101 -9.209 11.321 8.223 1.00 0.00 C ATOM 1850 O ALA B 101 -8.857 12.441 7.853 1.00 0.00 O ATOM 1851 CB ALA B 101 -10.616 10.992 10.262 1.00 0.00 C ATOM 0 H ALA B 101 -11.386 9.125 8.853 1.00 0.00 H new ATOM 0 HA ALA B 101 -11.243 11.912 8.437 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.195 11.909 10.675 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -11.638 10.869 10.620 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.015 10.141 10.581 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.408 10.264 8.198 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.035 10.349 7.719 1.00 0.00 C ATOM 1859 C GLU B 102 -6.889 9.635 6.381 1.00 0.00 C ATOM 1860 O GLU B 102 -7.874 9.197 5.786 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.072 9.736 8.738 1.00 0.00 C ATOM 1862 CG GLU B 102 -5.572 10.722 9.778 1.00 0.00 C ATOM 1863 CD GLU B 102 -4.744 10.058 10.860 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -3.508 9.973 10.694 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -5.328 9.621 11.872 1.00 0.00 O ATOM 0 H GLU B 102 -8.688 9.333 8.506 1.00 0.00 H new ATOM 0 HA GLU B 102 -6.788 11.402 7.587 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.571 8.910 9.244 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.217 9.316 8.209 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -4.974 11.490 9.287 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.424 11.226 10.235 1.00 0.00 H new ATOM 1872 N SER B 103 -5.652 9.524 5.918 1.00 0.00 N ATOM 1873 CA SER B 103 -5.362 8.862 4.652 1.00 0.00 C ATOM 1874 C SER B 103 -3.859 8.728 4.446 1.00 0.00 C ATOM 1875 O SER B 103 -3.077 9.514 4.981 1.00 0.00 O ATOM 1876 CB SER B 103 -5.978 9.639 3.487 1.00 0.00 C ATOM 1877 OG SER B 103 -5.463 10.958 3.422 1.00 0.00 O ATOM 0 H SER B 103 -4.830 9.885 6.402 1.00 0.00 H new ATOM 0 HA SER B 103 -5.801 7.865 4.684 1.00 0.00 H new ATOM 0 HB2 SER B 103 -5.773 9.119 2.551 1.00 0.00 H new ATOM 0 HB3 SER B 103 -7.061 9.674 3.602 1.00 0.00 H new ATOM 0 HG SER B 103 -5.872 11.432 2.668 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.460 7.730 3.667 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.046 7.497 3.396 1.00 0.00 C ATOM 1885 C PHE B 104 -1.855 6.749 2.079 1.00 0.00 C ATOM 1886 O PHE B 104 -2.188 5.571 1.969 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.413 6.704 4.544 1.00 0.00 C ATOM 1888 CG PHE B 104 0.079 6.582 4.443 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.902 7.601 4.891 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.657 5.445 3.905 1.00 0.00 C ATOM 1891 CE1 PHE B 104 2.276 7.488 4.804 1.00 0.00 C ATOM 1892 CE2 PHE B 104 2.029 5.326 3.815 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.841 6.349 4.265 1.00 0.00 C ATOM 0 H PHE B 104 -4.093 7.071 3.213 1.00 0.00 H new ATOM 0 HA PHE B 104 -1.553 8.466 3.313 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -1.666 7.185 5.489 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -1.849 5.705 4.568 1.00 0.00 H new ATOM 0 HD1 PHE B 104 0.465 8.494 5.313 1.00 0.00 H new ATOM 0 HD2 PHE B 104 0.027 4.642 3.552 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.908 8.290 5.157 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.468 4.434 3.393 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.915 6.258 4.195 1.00 0.00 H new ATOM 1903 N SER B 105 -1.314 7.445 1.082 1.00 0.00 N ATOM 1904 CA SER B 105 -1.076 6.846 -0.227 1.00 0.00 C ATOM 1905 C SER B 105 0.404 6.902 -0.589 1.00 0.00 C ATOM 1906 O SER B 105 1.118 7.825 -0.193 1.00 0.00 O ATOM 1907 CB SER B 105 -1.901 7.562 -1.298 1.00 0.00 C ATOM 1908 OG SER B 105 -1.516 8.920 -1.420 1.00 0.00 O ATOM 0 H SER B 105 -1.033 8.423 1.156 1.00 0.00 H new ATOM 0 HA SER B 105 -1.382 5.801 -0.181 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.774 7.058 -2.256 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.960 7.503 -1.045 1.00 0.00 H new ATOM 0 HG SER B 105 -2.058 9.353 -2.112 1.00 0.00 H new ATOM 1914 N CYS B 106 0.860 5.907 -1.344 1.00 0.00 N ATOM 1915 CA CYS B 106 2.258 5.834 -1.759 1.00 0.00 C ATOM 1916 C CYS B 106 2.400 5.093 -3.087 1.00 0.00 C ATOM 1917 O CYS B 106 1.824 4.022 -3.274 1.00 0.00 O ATOM 1918 CB CYS B 106 3.088 5.127 -0.685 1.00 0.00 C ATOM 1919 SG CYS B 106 3.455 6.143 0.787 1.00 0.00 S ATOM 0 H CYS B 106 0.281 5.138 -1.682 1.00 0.00 H new ATOM 0 HA CYS B 106 2.624 6.852 -1.891 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.557 4.230 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.029 4.801 -1.128 1.00 0.00 H new ATOM 1924 N ALA B 107 3.174 5.670 -4.003 1.00 0.00 N ATOM 1925 CA ALA B 107 3.400 5.059 -5.308 1.00 0.00 C ATOM 1926 C ALA B 107 4.732 4.314 -5.330 1.00 0.00 C ATOM 1927 O ALA B 107 5.665 4.688 -4.621 1.00 0.00 O ATOM 1928 CB ALA B 107 3.356 6.115 -6.402 1.00 0.00 C ATOM 0 H ALA B 107 3.654 6.559 -3.865 1.00 0.00 H new ATOM 0 HA ALA B 107 2.605 4.337 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA B 107 3.526 5.644 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA B 107 2.380 6.599 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.131 6.860 -6.220 1.00 0.00 H new ATOM 1934 N ILE B 108 4.815 3.273 -6.159 1.00 0.00 N ATOM 1935 CA ILE B 108 6.021 2.452 -6.261 1.00 0.00 C ATOM 1936 C ILE B 108 6.082 1.711 -7.594 1.00 0.00 C ATOM 1937 O ILE B 108 5.280 0.811 -7.843 1.00 0.00 O ATOM 1938 CB ILE B 108 6.089 1.400 -5.129 1.00 0.00 C ATOM 1939 CG1 ILE B 108 6.281 2.069 -3.766 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.213 0.406 -5.393 1.00 0.00 C ATOM 1941 CD1 ILE B 108 6.122 1.124 -2.595 1.00 0.00 C ATOM 0 H ILE B 108 4.056 2.977 -6.773 1.00 0.00 H new ATOM 0 HA ILE B 108 6.863 3.139 -6.179 1.00 0.00 H new ATOM 0 HB ILE B 108 5.141 0.862 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE B 108 7.274 2.516 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.561 2.882 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE B 108 7.247 -0.327 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.033 -0.103 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.164 0.936 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE B 108 6.272 1.670 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE B 108 5.120 0.695 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.859 0.325 -2.670 1.00 0.00 H new ATOM 1953 N GLN B 109 7.027 2.086 -8.451 1.00 0.00 N ATOM 1954 CA GLN B 109 7.189 1.411 -9.735 1.00 0.00 C ATOM 1955 C GLN B 109 8.512 0.657 -9.766 1.00 0.00 C ATOM 1956 O GLN B 109 9.572 1.257 -9.913 1.00 0.00 O ATOM 1957 CB GLN B 109 7.128 2.415 -10.888 1.00 0.00 C ATOM 1958 CG GLN B 109 5.847 3.233 -10.918 1.00 0.00 C ATOM 1959 CD GLN B 109 5.803 4.213 -12.074 1.00 0.00 C ATOM 1960 OE1 GLN B 109 6.967 4.708 -12.479 1.00 0.00 O flip ATOM 1961 NE2 GLN B 109 4.732 4.529 -12.595 1.00 0.00 N flip ATOM 0 H GLN B 109 7.686 2.846 -8.283 1.00 0.00 H new ATOM 0 HA GLN B 109 6.371 0.701 -9.856 1.00 0.00 H new ATOM 0 HB2 GLN B 109 7.979 3.092 -10.814 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.228 1.878 -11.831 1.00 0.00 H new ATOM 0 HG2 GLN B 109 4.993 2.559 -10.986 1.00 0.00 H new ATOM 0 HG3 GLN B 109 5.748 3.780 -9.980 1.00 0.00 H new ATOM 0 HE21 GLN B 109 3.860 4.125 -12.253 1.00 0.00 H new ATOM 0 HE22 GLN B 109 4.718 5.194 -13.368 1.00 0.00 H new ATOM 1970 N VAL B 110 8.456 -0.663 -9.616 1.00 0.00 N ATOM 1971 CA VAL B 110 9.672 -1.467 -9.618 1.00 0.00 C ATOM 1972 C VAL B 110 10.025 -1.939 -11.019 1.00 0.00 C ATOM 1973 O VAL B 110 9.148 -2.172 -11.851 1.00 0.00 O ATOM 1974 CB VAL B 110 9.552 -2.700 -8.706 1.00 0.00 C ATOM 1975 CG1 VAL B 110 10.929 -3.268 -8.400 1.00 0.00 C ATOM 1976 CG2 VAL B 110 8.826 -2.350 -7.421 1.00 0.00 C ATOM 0 H VAL B 110 7.593 -1.193 -9.493 1.00 0.00 H new ATOM 0 HA VAL B 110 10.460 -0.817 -9.238 1.00 0.00 H new ATOM 0 HB VAL B 110 8.971 -3.458 -9.230 1.00 0.00 H new ATOM 0 HG11 VAL B 110 10.828 -4.140 -7.754 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.417 -3.560 -9.330 1.00 0.00 H new ATOM 0 HG13 VAL B 110 11.531 -2.511 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL B 110 8.753 -3.237 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.378 -1.574 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL B 110 7.825 -1.988 -7.656 1.00 0.00 H new ATOM 1986 N ARG B 111 11.321 -2.077 -11.265 1.00 0.00 N ATOM 1987 CA ARG B 111 11.815 -2.528 -12.559 1.00 0.00 C ATOM 1988 C ARG B 111 13.325 -2.736 -12.520 1.00 0.00 C ATOM 1989 O ARG B 111 14.063 -1.759 -12.766 1.00 0.00 O ATOM 1990 CB ARG B 111 11.455 -1.526 -13.649 1.00 0.00 C ATOM 1991 CG ARG B 111 11.729 -2.046 -15.036 1.00 0.00 C ATOM 1992 CD ARG B 111 10.725 -3.108 -15.410 1.00 0.00 C ATOM 1993 NE ARG B 111 10.965 -3.654 -16.744 1.00 0.00 N ATOM 1994 CZ ARG B 111 10.213 -4.597 -17.302 1.00 0.00 C ATOM 1995 NH1 ARG B 111 9.173 -5.097 -16.645 1.00 0.00 N ATOM 1996 NH2 ARG B 111 10.497 -5.041 -18.518 1.00 0.00 N ATOM 1997 OXT ARG B 111 13.758 -3.875 -12.245 1.00 0.00 O ATOM 0 H ARG B 111 12.052 -1.882 -10.581 1.00 0.00 H new ATOM 0 HA ARG B 111 11.339 -3.482 -12.787 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.399 -1.269 -13.565 1.00 0.00 H new ATOM 0 HB3 ARG B 111 12.020 -0.607 -13.492 1.00 0.00 H new ATOM 0 HG2 ARG B 111 11.685 -1.227 -15.753 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.737 -2.457 -15.084 1.00 0.00 H new ATOM 0 HD2 ARG B 111 10.763 -3.914 -14.678 1.00 0.00 H new ATOM 0 HD3 ARG B 111 9.721 -2.686 -15.368 1.00 0.00 H new ATOM 0 HE ARG B 111 11.755 -3.291 -17.277 1.00 0.00 H new ATOM 0 HH11 ARG B 111 8.950 -4.757 -15.710 1.00 0.00 H new ATOM 0 HH12 ARG B 111 8.598 -5.821 -17.076 1.00 0.00 H new ATOM 0 HH21 ARG B 111 11.294 -4.659 -19.027 1.00 0.00 H new ATOM 0 HH22 ARG B 111 9.919 -5.765 -18.945 1.00 0.00 H new