USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=16 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 20 GLN : amide:sc= -0.704 X(o=-1.6,f=-1.8) USER MOD Set 1.2: B 81 SER OG : rot 165:sc= -0.932 USER MOD Set 2.1: B 30 SER OG : rot -157:sc= 1.18 USER MOD Set 2.2: B 72 SER OG : rot -140:sc= 0.849 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -1.27 USER MOD Single : B 17 LYS NZ :NH3+ 165:sc= 0.212 (180deg=0.144) USER MOD Single : B 19 THR OG1 : rot 180:sc=-0.00137 USER MOD Single : B 22 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : B 27 THR OG1 : rot -19:sc= 0.636 USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : B 42 ASN : amide:sc= -0.692 X(o=-0.69,f=-0.99) 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 73 THR OG1 : rot 83:sc= 0.0142 USER MOD Single : B 90 TYR OH : rot 131:sc= 0.107 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 : amide:sc= -0.809 K(o=-0.81,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.647 0.156 4.213 1.00 0.00 N ATOM 382 CA VAL B 5 13.580 1.604 4.371 1.00 0.00 C ATOM 383 C VAL B 5 12.327 1.989 5.146 1.00 0.00 C ATOM 384 O VAL B 5 11.478 1.140 5.424 1.00 0.00 O ATOM 385 CB VAL B 5 13.585 2.326 3.007 1.00 0.00 C ATOM 386 CG1 VAL B 5 14.832 1.961 2.213 1.00 0.00 C ATOM 387 CG2 VAL B 5 12.330 1.996 2.216 1.00 0.00 C ATOM 0 HA VAL B 5 14.466 1.916 4.924 1.00 0.00 H new ATOM 0 HB VAL B 5 13.597 3.400 3.191 1.00 0.00 H new ATOM 0 HG11 VAL B 5 14.818 2.480 1.254 1.00 0.00 H new ATOM 0 HG12 VAL B 5 15.719 2.257 2.773 1.00 0.00 H new ATOM 0 HG13 VAL B 5 14.853 0.885 2.043 1.00 0.00 H new ATOM 0 HG21 VAL B 5 12.356 2.516 1.259 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.281 0.921 2.044 1.00 0.00 H new ATOM 0 HG23 VAL B 5 11.452 2.314 2.778 1.00 0.00 H new ATOM 397 N THR B 6 12.212 3.263 5.506 1.00 0.00 N ATOM 398 CA THR B 6 11.059 3.735 6.253 1.00 0.00 C ATOM 399 C THR B 6 10.341 4.870 5.530 1.00 0.00 C ATOM 400 O THR B 6 10.841 5.409 4.542 1.00 0.00 O ATOM 401 CB THR B 6 11.472 4.213 7.651 1.00 0.00 C ATOM 402 OG1 THR B 6 12.829 3.839 7.918 1.00 0.00 O ATOM 403 CG2 THR B 6 10.563 3.611 8.705 1.00 0.00 C ATOM 0 H THR B 6 12.902 3.983 5.292 1.00 0.00 H new ATOM 0 HA THR B 6 10.375 2.891 6.342 1.00 0.00 H new ATOM 0 HB THR B 6 11.384 5.299 7.684 1.00 0.00 H new ATOM 0 HG1 THR B 6 13.084 4.150 8.812 1.00 0.00 H new ATOM 0 HG21 THR B 6 10.869 3.960 9.691 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.534 3.916 8.515 1.00 0.00 H new ATOM 0 HG23 THR B 6 10.632 2.524 8.667 1.00 0.00 H new ATOM 411 N LEU B 7 9.164 5.227 6.035 1.00 0.00 N ATOM 412 CA LEU B 7 8.363 6.296 5.449 1.00 0.00 C ATOM 413 C LEU B 7 7.285 6.758 6.424 1.00 0.00 C ATOM 414 O LEU B 7 6.786 5.971 7.229 1.00 0.00 O ATOM 415 CB LEU B 7 7.719 5.821 4.144 1.00 0.00 C ATOM 416 CG LEU B 7 6.839 6.857 3.437 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.666 8.060 3.008 1.00 0.00 C ATOM 418 CD2 LEU B 7 6.145 6.232 2.237 1.00 0.00 C ATOM 0 H LEU B 7 8.742 4.788 6.854 1.00 0.00 H new ATOM 0 HA LEU B 7 9.021 7.138 5.235 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.509 5.511 3.460 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.115 4.938 4.355 1.00 0.00 H new ATOM 0 HG LEU B 7 6.078 7.198 4.139 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.023 8.784 2.508 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.119 8.522 3.885 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.450 7.737 2.323 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.524 6.981 1.745 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.893 5.864 1.535 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.520 5.403 2.569 1.00 0.00 H new ATOM 430 N ASP B 8 6.928 8.038 6.348 1.00 0.00 N ATOM 431 CA ASP B 8 5.909 8.600 7.225 1.00 0.00 C ATOM 432 C ASP B 8 5.046 9.615 6.482 1.00 0.00 C ATOM 433 O ASP B 8 3.818 9.568 6.549 1.00 0.00 O ATOM 434 CB ASP B 8 6.561 9.261 8.442 1.00 0.00 C ATOM 435 CG ASP B 8 5.540 9.849 9.397 1.00 0.00 C ATOM 436 OD1 ASP B 8 5.183 11.035 9.229 1.00 0.00 O ATOM 437 OD2 ASP B 8 5.100 9.125 10.314 1.00 0.00 O ATOM 0 H ASP B 8 7.330 8.704 5.688 1.00 0.00 H new ATOM 0 HA ASP B 8 5.268 7.785 7.562 1.00 0.00 H new ATOM 0 HB2 ASP B 8 7.167 8.525 8.970 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.236 10.048 8.106 1.00 0.00 H new ATOM 442 N ASP B 9 5.697 10.531 5.772 1.00 0.00 N ATOM 443 CA ASP B 9 4.989 11.559 5.016 1.00 0.00 C ATOM 444 C ASP B 9 4.488 11.007 3.685 1.00 0.00 C ATOM 445 O ASP B 9 4.693 9.834 3.371 1.00 0.00 O ATOM 446 CB ASP B 9 5.901 12.764 4.773 1.00 0.00 C ATOM 447 CG ASP B 9 7.149 12.395 3.995 1.00 0.00 C ATOM 448 OD1 ASP B 9 7.087 12.375 2.748 1.00 0.00 O ATOM 449 OD2 ASP B 9 8.190 12.127 4.635 1.00 0.00 O ATOM 0 H ASP B 9 6.713 10.583 5.704 1.00 0.00 H new ATOM 0 HA ASP B 9 4.128 11.878 5.603 1.00 0.00 H new ATOM 0 HB2 ASP B 9 5.349 13.530 4.228 1.00 0.00 H new ATOM 0 HB3 ASP B 9 6.188 13.198 5.731 1.00 0.00 H new ATOM 454 N ALA B 10 3.830 11.861 2.905 1.00 0.00 N ATOM 455 CA ALA B 10 3.297 11.459 1.610 1.00 0.00 C ATOM 456 C ALA B 10 3.637 12.482 0.530 1.00 0.00 C ATOM 457 O ALA B 10 3.299 12.298 -0.639 1.00 0.00 O ATOM 458 CB ALA B 10 1.792 11.261 1.696 1.00 0.00 C ATOM 0 H ALA B 10 3.654 12.836 3.149 1.00 0.00 H new ATOM 0 HA ALA B 10 3.762 10.513 1.334 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.408 10.961 0.721 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.568 10.485 2.428 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.319 12.195 2.000 1.00 0.00 H new ATOM 464 N ASP B 11 4.305 13.560 0.931 1.00 0.00 N ATOM 465 CA ASP B 11 4.689 14.611 -0.005 1.00 0.00 C ATOM 466 C ASP B 11 5.975 14.244 -0.739 1.00 0.00 C ATOM 467 O ASP B 11 6.169 14.618 -1.896 1.00 0.00 O ATOM 468 CB ASP B 11 4.871 15.938 0.732 1.00 0.00 C ATOM 469 CG ASP B 11 5.284 17.064 -0.195 1.00 0.00 C ATOM 470 OD1 ASP B 11 4.391 17.754 -0.731 1.00 0.00 O ATOM 471 OD2 ASP B 11 6.504 17.258 -0.386 1.00 0.00 O ATOM 0 H ASP B 11 4.591 13.728 1.896 1.00 0.00 H new ATOM 0 HA ASP B 11 3.890 14.717 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP B 11 3.939 16.205 1.230 1.00 0.00 H new ATOM 0 HB3 ASP B 11 5.624 15.817 1.510 1.00 0.00 H new ATOM 476 N ASP B 12 6.849 13.510 -0.058 1.00 0.00 N ATOM 477 CA ASP B 12 8.116 13.092 -0.642 1.00 0.00 C ATOM 478 C ASP B 12 7.951 11.813 -1.456 1.00 0.00 C ATOM 479 O ASP B 12 8.911 11.308 -2.038 1.00 0.00 O ATOM 480 CB ASP B 12 9.156 12.876 0.460 1.00 0.00 C ATOM 481 CG ASP B 12 9.498 14.159 1.191 1.00 0.00 C ATOM 482 OD1 ASP B 12 8.815 14.475 2.189 1.00 0.00 O ATOM 483 OD2 ASP B 12 10.450 14.848 0.767 1.00 0.00 O ATOM 0 H ASP B 12 6.702 13.193 0.900 1.00 0.00 H new ATOM 0 HA ASP B 12 8.457 13.882 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP B 12 8.778 12.144 1.174 1.00 0.00 H new ATOM 0 HB3 ASP B 12 10.063 12.457 0.023 1.00 0.00 H new ATOM 488 N CYS B 13 6.727 11.294 -1.493 1.00 0.00 N ATOM 489 CA CYS B 13 6.441 10.071 -2.236 1.00 0.00 C ATOM 490 C CYS B 13 6.707 10.254 -3.725 1.00 0.00 C ATOM 491 O CYS B 13 6.567 11.352 -4.265 1.00 0.00 O ATOM 492 CB CYS B 13 4.992 9.636 -2.016 1.00 0.00 C ATOM 493 SG CYS B 13 4.705 8.794 -0.425 1.00 0.00 S ATOM 0 H CYS B 13 5.920 11.700 -1.019 1.00 0.00 H new ATOM 0 HA CYS B 13 7.107 9.294 -1.862 1.00 0.00 H new ATOM 0 HB2 CYS B 13 4.347 10.513 -2.073 1.00 0.00 H new ATOM 0 HB3 CYS B 13 4.696 8.970 -2.827 1.00 0.00 H new ATOM 498 N SER B 14 7.091 9.164 -4.378 1.00 0.00 N ATOM 499 CA SER B 14 7.385 9.177 -5.805 1.00 0.00 C ATOM 500 C SER B 14 7.571 7.754 -6.319 1.00 0.00 C ATOM 501 O SER B 14 8.044 6.887 -5.582 1.00 0.00 O ATOM 502 CB SER B 14 8.646 9.997 -6.075 1.00 0.00 C ATOM 503 OG SER B 14 8.916 10.089 -7.461 1.00 0.00 O ATOM 0 H SER B 14 7.207 8.252 -3.936 1.00 0.00 H new ATOM 0 HA SER B 14 6.546 9.634 -6.329 1.00 0.00 H new ATOM 0 HB2 SER B 14 8.527 10.997 -5.659 1.00 0.00 H new ATOM 0 HB3 SER B 14 9.495 9.539 -5.567 1.00 0.00 H new ATOM 0 HG SER B 14 9.727 10.621 -7.602 1.00 0.00 H new ATOM 509 N PRO B 15 7.199 7.483 -7.585 1.00 0.00 N ATOM 510 CA PRO B 15 7.341 6.148 -8.176 1.00 0.00 C ATOM 511 C PRO B 15 8.788 5.670 -8.159 1.00 0.00 C ATOM 512 O PRO B 15 9.515 5.815 -9.141 1.00 0.00 O ATOM 513 CB PRO B 15 6.846 6.326 -9.617 1.00 0.00 C ATOM 514 CG PRO B 15 6.885 7.796 -9.865 1.00 0.00 C ATOM 515 CD PRO B 15 6.617 8.443 -8.537 1.00 0.00 C ATOM 0 HA PRO B 15 6.781 5.395 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO B 15 7.483 5.791 -10.321 1.00 0.00 H new ATOM 0 HB3 PRO B 15 5.837 5.933 -9.738 1.00 0.00 H new ATOM 0 HG2 PRO B 15 7.855 8.100 -10.259 1.00 0.00 H new ATOM 0 HG3 PRO B 15 6.136 8.088 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO B 15 7.088 9.423 -8.462 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.550 8.588 -8.365 1.00 0.00 H new ATOM 523 N LEU B 16 9.202 5.108 -7.027 1.00 0.00 N ATOM 524 CA LEU B 16 10.563 4.614 -6.867 1.00 0.00 C ATOM 525 C LEU B 16 10.764 3.294 -7.584 1.00 0.00 C ATOM 526 O LEU B 16 9.839 2.746 -8.179 1.00 0.00 O ATOM 527 CB LEU B 16 10.898 4.441 -5.389 1.00 0.00 C ATOM 528 CG LEU B 16 11.230 5.736 -4.662 1.00 0.00 C ATOM 529 CD1 LEU B 16 10.934 5.615 -3.176 1.00 0.00 C ATOM 530 CD2 LEU B 16 12.683 6.124 -4.898 1.00 0.00 C ATOM 0 H LEU B 16 8.611 4.984 -6.205 1.00 0.00 H new ATOM 0 HA LEU B 16 11.230 5.354 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.053 3.966 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU B 16 11.745 3.761 -5.298 1.00 0.00 H new ATOM 0 HG LEU B 16 10.597 6.526 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.180 6.553 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU B 16 9.876 5.394 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU B 16 11.534 4.811 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.902 7.052 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU B 16 13.336 5.333 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.853 6.264 -5.965 1.00 0.00 H new ATOM 542 N LYS B 17 11.988 2.796 -7.510 1.00 0.00 N ATOM 543 CA LYS B 17 12.346 1.530 -8.139 1.00 0.00 C ATOM 544 C LYS B 17 13.089 0.637 -7.152 1.00 0.00 C ATOM 545 O LYS B 17 14.314 0.697 -7.043 1.00 0.00 O ATOM 546 CB LYS B 17 13.208 1.763 -9.382 1.00 0.00 C ATOM 547 CG LYS B 17 12.468 2.442 -10.523 1.00 0.00 C ATOM 548 CD LYS B 17 12.452 3.953 -10.365 1.00 0.00 C ATOM 549 CE LYS B 17 11.702 4.626 -11.504 1.00 0.00 C ATOM 550 NZ LYS B 17 11.665 6.108 -11.348 1.00 0.00 N ATOM 0 H LYS B 17 12.757 3.251 -7.018 1.00 0.00 H new ATOM 0 HA LYS B 17 11.425 1.033 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.069 2.372 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS B 17 13.593 0.805 -9.730 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.941 2.181 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS B 17 11.444 2.070 -10.565 1.00 0.00 H new ATOM 0 HD2 LYS B 17 11.985 4.215 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS B 17 13.475 4.327 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS B 17 12.178 4.373 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS B 17 10.683 4.240 -11.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 11.379 6.545 -12.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 10.981 6.362 -10.607 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 12.609 6.453 -11.081 1.00 0.00 H new ATOM 564 N LEU B 18 12.339 -0.186 -6.427 1.00 0.00 N ATOM 565 CA LEU B 18 12.924 -1.090 -5.445 1.00 0.00 C ATOM 566 C LEU B 18 13.698 -2.210 -6.128 1.00 0.00 C ATOM 567 O LEU B 18 13.930 -2.175 -7.338 1.00 0.00 O ATOM 568 CB LEU B 18 11.839 -1.681 -4.541 1.00 0.00 C ATOM 569 CG LEU B 18 11.370 -0.772 -3.415 1.00 0.00 C ATOM 570 CD1 LEU B 18 10.796 0.528 -3.961 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.349 -1.484 -2.542 1.00 0.00 C ATOM 0 H LEU B 18 11.323 -0.245 -6.502 1.00 0.00 H new ATOM 0 HA LEU B 18 13.617 -0.513 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.979 -1.944 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.215 -2.607 -4.106 1.00 0.00 H new ATOM 0 HG LEU B 18 12.236 -0.524 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.469 1.157 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU B 18 11.561 1.051 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU B 18 9.946 0.308 -4.607 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.026 -0.817 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.488 -1.769 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.800 -2.377 -2.110 1.00 0.00 H new ATOM 583 N THR B 19 14.103 -3.199 -5.341 1.00 0.00 N ATOM 584 CA THR B 19 14.854 -4.332 -5.866 1.00 0.00 C ATOM 585 C THR B 19 14.515 -5.612 -5.109 1.00 0.00 C ATOM 586 O THR B 19 14.380 -5.605 -3.887 1.00 0.00 O ATOM 587 CB THR B 19 16.374 -4.089 -5.784 1.00 0.00 C ATOM 588 OG1 THR B 19 16.708 -2.856 -6.436 1.00 0.00 O ATOM 589 CG2 THR B 19 17.143 -5.232 -6.428 1.00 0.00 C ATOM 0 H THR B 19 13.924 -3.239 -4.338 1.00 0.00 H new ATOM 0 HA THR B 19 14.568 -4.442 -6.912 1.00 0.00 H new ATOM 0 HB THR B 19 16.654 -4.033 -4.732 1.00 0.00 H new ATOM 0 HG1 THR B 19 17.675 -2.707 -6.379 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.213 -5.036 -6.357 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.910 -6.164 -5.913 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.859 -5.317 -7.477 1.00 0.00 H new ATOM 597 N GLN B 20 14.375 -6.710 -5.849 1.00 0.00 N ATOM 598 CA GLN B 20 14.051 -7.999 -5.249 1.00 0.00 C ATOM 599 C GLN B 20 15.109 -8.402 -4.227 1.00 0.00 C ATOM 600 O GLN B 20 16.156 -8.943 -4.578 1.00 0.00 O ATOM 601 CB GLN B 20 13.922 -9.074 -6.329 1.00 0.00 C ATOM 602 CG GLN B 20 12.696 -8.900 -7.210 1.00 0.00 C ATOM 603 CD GLN B 20 12.653 -9.892 -8.356 1.00 0.00 C ATOM 604 OE1 GLN B 20 13.161 -11.008 -8.247 1.00 0.00 O ATOM 605 NE2 GLN B 20 12.042 -9.488 -9.465 1.00 0.00 N ATOM 0 H GLN B 20 14.481 -6.731 -6.863 1.00 0.00 H new ATOM 0 HA GLN B 20 13.095 -7.903 -4.734 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.815 -9.059 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.882 -10.054 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.798 -9.014 -6.603 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.683 -7.887 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.635 -8.554 -9.512 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.980 -10.112 -10.270 1.00 0.00 H new ATOM 614 N GLY B 21 14.822 -8.127 -2.959 1.00 0.00 N ATOM 615 CA GLY B 21 15.751 -8.459 -1.893 1.00 0.00 C ATOM 616 C GLY B 21 15.592 -7.544 -0.696 1.00 0.00 C ATOM 617 O GLY B 21 15.673 -7.990 0.448 1.00 0.00 O ATOM 0 H GLY B 21 13.960 -7.679 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.593 -9.492 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.772 -8.391 -2.268 1.00 0.00 H new ATOM 621 N GLN B 22 15.365 -6.262 -0.962 1.00 0.00 N ATOM 622 CA GLN B 22 15.183 -5.283 0.099 1.00 0.00 C ATOM 623 C GLN B 22 13.722 -5.244 0.524 1.00 0.00 C ATOM 624 O GLN B 22 12.941 -6.118 0.145 1.00 0.00 O ATOM 625 CB GLN B 22 15.632 -3.902 -0.367 1.00 0.00 C ATOM 626 CG GLN B 22 17.096 -3.841 -0.769 1.00 0.00 C ATOM 627 CD GLN B 22 17.623 -2.421 -0.828 1.00 0.00 C ATOM 628 OE1 GLN B 22 16.739 -1.473 -1.110 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 18.814 -2.178 -0.617 1.00 0.00 N flip ATOM 0 H GLN B 22 15.303 -5.878 -1.905 1.00 0.00 H new ATOM 0 HA GLN B 22 15.794 -5.575 0.953 1.00 0.00 H new ATOM 0 HB2 GLN B 22 15.018 -3.597 -1.214 1.00 0.00 H new ATOM 0 HB3 GLN B 22 15.453 -3.182 0.432 1.00 0.00 H new ATOM 0 HG2 GLN B 22 17.689 -4.416 -0.058 1.00 0.00 H new ATOM 0 HG3 GLN B 22 17.222 -4.313 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN B 22 19.460 -2.938 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN B 22 19.153 -1.217 -0.656 1.00 0.00 H new ATOM 638 N GLU B 23 13.350 -4.234 1.304 1.00 0.00 N ATOM 639 CA GLU B 23 11.965 -4.125 1.764 1.00 0.00 C ATOM 640 C GLU B 23 11.708 -2.817 2.513 1.00 0.00 C ATOM 641 O GLU B 23 12.487 -1.870 2.413 1.00 0.00 O ATOM 642 CB GLU B 23 11.623 -5.333 2.646 1.00 0.00 C ATOM 643 CG GLU B 23 11.851 -5.120 4.134 1.00 0.00 C ATOM 644 CD GLU B 23 11.787 -6.413 4.924 1.00 0.00 C ATOM 645 OE1 GLU B 23 12.850 -7.040 5.124 1.00 0.00 O ATOM 646 OE2 GLU B 23 10.678 -6.799 5.345 1.00 0.00 O ATOM 0 H GLU B 23 13.971 -3.492 1.627 1.00 0.00 H new ATOM 0 HA GLU B 23 11.317 -4.118 0.888 1.00 0.00 H new ATOM 0 HB2 GLU B 23 10.577 -5.597 2.487 1.00 0.00 H new ATOM 0 HB3 GLU B 23 12.220 -6.184 2.319 1.00 0.00 H new ATOM 0 HG2 GLU B 23 12.824 -4.654 4.286 1.00 0.00 H new ATOM 0 HG3 GLU B 23 11.102 -4.427 4.517 1.00 0.00 H new ATOM 653 N LEU B 24 10.591 -2.767 3.240 1.00 0.00 N ATOM 654 CA LEU B 24 10.226 -1.584 4.014 1.00 0.00 C ATOM 655 C LEU B 24 9.286 -1.944 5.166 1.00 0.00 C ATOM 656 O LEU B 24 8.520 -2.904 5.082 1.00 0.00 O ATOM 657 CB LEU B 24 9.565 -0.537 3.112 1.00 0.00 C ATOM 658 CG LEU B 24 8.707 0.497 3.847 1.00 0.00 C ATOM 659 CD1 LEU B 24 9.178 1.908 3.545 1.00 0.00 C ATOM 660 CD2 LEU B 24 7.241 0.330 3.477 1.00 0.00 C ATOM 0 H LEU B 24 9.923 -3.535 3.308 1.00 0.00 H new ATOM 0 HA LEU B 24 11.141 -1.168 4.435 1.00 0.00 H new ATOM 0 HB2 LEU B 24 10.343 -0.013 2.557 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.942 -1.051 2.380 1.00 0.00 H new ATOM 0 HG LEU B 24 8.815 0.329 4.919 1.00 0.00 H new ATOM 0 HD11 LEU B 24 8.552 2.623 4.079 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.214 2.022 3.865 1.00 0.00 H new ATOM 0 HD13 LEU B 24 9.107 2.094 2.473 1.00 0.00 H new ATOM 0 HD21 LEU B 24 6.645 1.072 4.008 1.00 0.00 H new ATOM 0 HD22 LEU B 24 7.119 0.467 2.403 1.00 0.00 H new ATOM 0 HD23 LEU B 24 6.907 -0.670 3.755 1.00 0.00 H new ATOM 672 N VAL B 25 9.358 -1.158 6.240 1.00 0.00 N ATOM 673 CA VAL B 25 8.509 -1.367 7.409 1.00 0.00 C ATOM 674 C VAL B 25 7.812 -0.067 7.806 1.00 0.00 C ATOM 675 O VAL B 25 8.462 0.901 8.203 1.00 0.00 O ATOM 676 CB VAL B 25 9.321 -1.890 8.612 1.00 0.00 C ATOM 677 CG1 VAL B 25 8.466 -1.916 9.871 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.881 -3.272 8.316 1.00 0.00 C ATOM 0 H VAL B 25 9.998 -0.368 6.323 1.00 0.00 H new ATOM 0 HA VAL B 25 7.765 -2.115 7.136 1.00 0.00 H new ATOM 0 HB VAL B 25 10.155 -1.209 8.783 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.059 -2.288 10.706 1.00 0.00 H new ATOM 0 HG12 VAL B 25 8.117 -0.908 10.095 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.609 -2.571 9.715 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.451 -3.625 9.175 1.00 0.00 H new ATOM 0 HG22 VAL B 25 9.061 -3.962 8.116 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.533 -3.221 7.444 1.00 0.00 H new ATOM 688 N LEU B 26 6.487 -0.052 7.694 1.00 0.00 N ATOM 689 CA LEU B 26 5.707 1.134 8.037 1.00 0.00 C ATOM 690 C LEU B 26 5.333 1.142 9.515 1.00 0.00 C ATOM 691 O LEU B 26 5.308 0.099 10.168 1.00 0.00 O ATOM 692 CB LEU B 26 4.440 1.205 7.182 1.00 0.00 C ATOM 693 CG LEU B 26 4.672 1.508 5.701 1.00 0.00 C ATOM 694 CD1 LEU B 26 3.373 1.381 4.920 1.00 0.00 C ATOM 695 CD2 LEU B 26 5.269 2.897 5.527 1.00 0.00 C ATOM 0 H LEU B 26 5.932 -0.844 7.370 1.00 0.00 H new ATOM 0 HA LEU B 26 6.327 2.008 7.835 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.912 0.255 7.264 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.784 1.971 7.595 1.00 0.00 H new ATOM 0 HG LEU B 26 5.381 0.779 5.308 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.558 1.600 3.868 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.988 0.366 5.017 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.641 2.086 5.314 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.427 3.095 4.467 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.586 3.641 5.937 1.00 0.00 H new ATOM 0 HD23 LEU B 26 6.222 2.952 6.052 1.00 0.00 H new ATOM 707 N THR B 27 5.043 2.333 10.031 1.00 0.00 N ATOM 708 CA THR B 27 4.667 2.494 11.432 1.00 0.00 C ATOM 709 C THR B 27 3.894 3.791 11.641 1.00 0.00 C ATOM 710 O THR B 27 4.468 4.880 11.593 1.00 0.00 O ATOM 711 CB THR B 27 5.907 2.491 12.348 1.00 0.00 C ATOM 712 OG1 THR B 27 6.649 1.278 12.167 1.00 0.00 O ATOM 713 CG2 THR B 27 5.502 2.628 13.809 1.00 0.00 C ATOM 0 H THR B 27 5.061 3.203 9.498 1.00 0.00 H new ATOM 0 HA THR B 27 4.032 1.648 11.694 1.00 0.00 H new ATOM 0 HB THR B 27 6.531 3.343 12.078 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.073 0.600 11.756 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.394 2.623 14.436 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.964 3.565 13.951 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.858 1.794 14.088 1.00 0.00 H new ATOM 721 N LEU B 28 2.590 3.672 11.873 1.00 0.00 N ATOM 722 CA LEU B 28 1.742 4.839 12.087 1.00 0.00 C ATOM 723 C LEU B 28 0.947 4.706 13.386 1.00 0.00 C ATOM 724 O LEU B 28 0.500 3.614 13.737 1.00 0.00 O ATOM 725 CB LEU B 28 0.786 5.025 10.907 1.00 0.00 C ATOM 726 CG LEU B 28 1.461 5.225 9.548 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.420 5.288 8.440 1.00 0.00 C ATOM 728 CD2 LEU B 28 2.309 6.489 9.555 1.00 0.00 C ATOM 0 H LEU B 28 2.098 2.779 11.917 1.00 0.00 H new ATOM 0 HA LEU B 28 2.386 5.715 12.165 1.00 0.00 H new ATOM 0 HB2 LEU B 28 0.135 4.153 10.847 1.00 0.00 H new ATOM 0 HB3 LEU B 28 0.148 5.886 11.109 1.00 0.00 H new ATOM 0 HG LEU B 28 2.114 4.373 9.359 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.918 5.431 7.481 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.147 4.357 8.420 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.258 6.122 8.624 1.00 0.00 H new ATOM 0 HD21 LEU B 28 2.782 6.616 8.581 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.676 7.351 9.766 1.00 0.00 H new ATOM 0 HD23 LEU B 28 3.078 6.407 10.323 1.00 0.00 H new ATOM 740 N PRO B 29 0.760 5.821 14.122 1.00 0.00 N ATOM 741 CA PRO B 29 0.016 5.820 15.384 1.00 0.00 C ATOM 742 C PRO B 29 -1.459 5.486 15.185 1.00 0.00 C ATOM 743 O PRO B 29 -2.045 5.810 14.153 1.00 0.00 O ATOM 744 CB PRO B 29 0.170 7.257 15.907 1.00 0.00 C ATOM 745 CG PRO B 29 1.288 7.849 15.118 1.00 0.00 C ATOM 746 CD PRO B 29 1.262 7.162 13.785 1.00 0.00 C ATOM 0 HA PRO B 29 0.395 5.064 16.072 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.750 7.825 15.771 1.00 0.00 H new ATOM 0 HB3 PRO B 29 0.395 7.265 16.974 1.00 0.00 H new ATOM 0 HG2 PRO B 29 1.159 8.925 15.005 1.00 0.00 H new ATOM 0 HG3 PRO B 29 2.244 7.694 15.618 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.608 7.673 13.079 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.252 7.121 13.331 1.00 0.00 H new ATOM 754 N SER B 30 -2.054 4.837 16.185 1.00 0.00 N ATOM 755 CA SER B 30 -3.461 4.462 16.125 1.00 0.00 C ATOM 756 C SER B 30 -3.950 3.970 17.484 1.00 0.00 C ATOM 757 O SER B 30 -3.465 2.963 18.002 1.00 0.00 O ATOM 758 CB SER B 30 -3.681 3.375 15.068 1.00 0.00 C ATOM 759 OG SER B 30 -2.869 2.242 15.324 1.00 0.00 O ATOM 0 H SER B 30 -1.581 4.561 17.046 1.00 0.00 H new ATOM 0 HA SER B 30 -4.034 5.347 15.849 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.730 3.080 15.059 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.453 3.773 14.079 1.00 0.00 H new ATOM 0 HG SER B 30 -2.737 1.740 14.493 1.00 0.00 H new ATOM 765 N ASN B 31 -4.915 4.685 18.053 1.00 0.00 N ATOM 766 CA ASN B 31 -5.472 4.320 19.352 1.00 0.00 C ATOM 767 C ASN B 31 -6.630 3.335 19.191 1.00 0.00 C ATOM 768 O ASN B 31 -7.676 3.686 18.646 1.00 0.00 O ATOM 769 CB ASN B 31 -5.951 5.572 20.090 1.00 0.00 C ATOM 770 CG ASN B 31 -4.834 6.565 20.337 1.00 0.00 C ATOM 771 OD1 ASN B 31 -3.672 6.185 20.487 1.00 0.00 O ATOM 772 ND2 ASN B 31 -5.179 7.846 20.382 1.00 0.00 N ATOM 0 H ASN B 31 -5.328 5.520 17.636 1.00 0.00 H new ATOM 0 HA ASN B 31 -4.688 3.838 19.936 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -6.738 6.053 19.509 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.391 5.281 21.044 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -4.469 8.560 20.546 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.154 8.116 20.252 1.00 0.00 H new ATOM 779 N PRO B 32 -6.460 2.085 19.665 1.00 0.00 N ATOM 780 CA PRO B 32 -7.504 1.056 19.567 1.00 0.00 C ATOM 781 C PRO B 32 -8.667 1.315 20.519 1.00 0.00 C ATOM 782 O PRO B 32 -9.629 0.550 20.561 1.00 0.00 O ATOM 783 CB PRO B 32 -6.768 -0.225 19.953 1.00 0.00 C ATOM 784 CG PRO B 32 -5.697 0.239 20.870 1.00 0.00 C ATOM 785 CD PRO B 32 -5.248 1.568 20.330 1.00 0.00 C ATOM 0 HA PRO B 32 -7.956 1.023 18.576 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -7.433 -0.935 20.444 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -6.355 -0.727 19.078 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -6.069 0.336 21.890 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.871 -0.471 20.899 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.910 2.233 21.125 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.419 1.460 19.630 1.00 0.00 H new ATOM 793 N THR B 33 -8.566 2.397 21.286 1.00 0.00 N ATOM 794 CA THR B 33 -9.607 2.758 22.239 1.00 0.00 C ATOM 795 C THR B 33 -10.844 3.295 21.523 1.00 0.00 C ATOM 796 O THR B 33 -11.968 3.144 22.003 1.00 0.00 O ATOM 797 CB THR B 33 -9.107 3.817 23.242 1.00 0.00 C ATOM 798 OG1 THR B 33 -7.924 3.348 23.900 1.00 0.00 O ATOM 799 CG2 THR B 33 -10.174 4.131 24.281 1.00 0.00 C ATOM 0 H THR B 33 -7.773 3.038 21.265 1.00 0.00 H new ATOM 0 HA THR B 33 -9.870 1.850 22.782 1.00 0.00 H new ATOM 0 HB THR B 33 -8.882 4.728 22.688 1.00 0.00 H new ATOM 0 HG1 THR B 33 -7.611 4.027 24.534 1.00 0.00 H new ATOM 0 HG21 THR B 33 -9.796 4.881 24.976 1.00 0.00 H new ATOM 0 HG22 THR B 33 -11.065 4.514 23.783 1.00 0.00 H new ATOM 0 HG23 THR B 33 -10.427 3.223 24.829 1.00 0.00 H new ATOM 807 N THR B 34 -10.629 3.919 20.368 1.00 0.00 N ATOM 808 CA THR B 34 -11.725 4.478 19.586 1.00 0.00 C ATOM 809 C THR B 34 -12.394 3.410 18.727 1.00 0.00 C ATOM 810 O THR B 34 -13.548 3.049 18.957 1.00 0.00 O ATOM 811 CB THR B 34 -11.242 5.626 18.681 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.176 5.174 17.838 1.00 0.00 O ATOM 813 CG2 THR B 34 -10.767 6.809 19.513 1.00 0.00 C ATOM 0 H THR B 34 -9.706 4.050 19.954 1.00 0.00 H new ATOM 0 HA THR B 34 -12.451 4.870 20.298 1.00 0.00 H new ATOM 0 HB THR B 34 -12.081 5.947 18.064 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.877 5.911 17.265 1.00 0.00 H new ATOM 0 HG21 THR B 34 -10.431 7.607 18.852 1.00 0.00 H new ATOM 0 HG22 THR B 34 -11.588 7.172 20.131 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.942 6.496 20.153 1.00 0.00 H new ATOM 821 N GLY B 35 -11.662 2.907 17.738 1.00 0.00 N ATOM 822 CA GLY B 35 -12.202 1.887 16.860 1.00 0.00 C ATOM 823 C GLY B 35 -11.736 2.059 15.430 1.00 0.00 C ATOM 824 O GLY B 35 -11.558 1.080 14.703 1.00 0.00 O ATOM 0 H GLY B 35 -10.704 3.188 17.529 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -11.903 0.903 17.222 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.291 1.921 16.892 1.00 0.00 H new ATOM 828 N PHE B 36 -11.534 3.310 15.025 1.00 0.00 N ATOM 829 CA PHE B 36 -11.083 3.614 13.678 1.00 0.00 C ATOM 830 C PHE B 36 -9.632 3.192 13.483 1.00 0.00 C ATOM 831 O PHE B 36 -8.707 3.905 13.871 1.00 0.00 O ATOM 832 CB PHE B 36 -11.235 5.105 13.399 1.00 0.00 C ATOM 833 CG PHE B 36 -12.659 5.581 13.417 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.247 6.009 14.596 1.00 0.00 C ATOM 835 CD2 PHE B 36 -13.412 5.597 12.253 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.557 6.447 14.616 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.723 6.033 12.266 1.00 0.00 C ATOM 838 CZ PHE B 36 -15.297 6.459 13.448 1.00 0.00 C ATOM 0 H PHE B 36 -11.677 4.129 15.616 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.701 3.054 12.976 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.665 5.664 14.141 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.798 5.330 12.426 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.674 6.000 15.511 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.969 5.265 11.326 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.002 6.779 15.542 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -15.299 6.041 11.352 1.00 0.00 H new ATOM 0 HZ PHE B 36 -16.321 6.801 13.460 1.00 0.00 H new ATOM 848 N ARG B 37 -9.447 2.023 12.888 1.00 0.00 N ATOM 849 CA ARG B 37 -8.113 1.492 12.627 1.00 0.00 C ATOM 850 C ARG B 37 -7.641 1.859 11.227 1.00 0.00 C ATOM 851 O ARG B 37 -8.161 2.787 10.607 1.00 0.00 O ATOM 852 CB ARG B 37 -8.105 -0.028 12.779 1.00 0.00 C ATOM 853 CG ARG B 37 -8.079 -0.504 14.223 1.00 0.00 C ATOM 854 CD ARG B 37 -6.772 -0.142 14.912 1.00 0.00 C ATOM 855 NE ARG B 37 -5.624 -0.794 14.284 1.00 0.00 N ATOM 856 CZ ARG B 37 -4.420 -0.866 14.845 1.00 0.00 C ATOM 857 NH1 ARG B 37 -4.206 -0.325 16.036 1.00 0.00 N ATOM 858 NH2 ARG B 37 -3.430 -1.478 14.212 1.00 0.00 N ATOM 0 H ARG B 37 -10.207 1.419 12.574 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.433 1.935 13.355 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -8.988 -0.437 12.288 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.236 -0.431 12.259 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -8.912 -0.060 14.767 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.219 -1.585 14.252 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.635 0.939 14.885 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -6.823 -0.430 15.962 1.00 0.00 H new ATOM 0 HE ARG B 37 -5.753 -1.217 13.365 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -4.966 0.148 16.525 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -3.282 -0.382 16.463 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -3.591 -1.894 13.295 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -2.507 -1.533 14.642 1.00 0.00 H new ATOM 872 N TRP B 38 -6.650 1.122 10.736 1.00 0.00 N ATOM 873 CA TRP B 38 -6.110 1.361 9.407 1.00 0.00 C ATOM 874 C TRP B 38 -6.376 0.171 8.490 1.00 0.00 C ATOM 875 O TRP B 38 -6.002 -0.960 8.800 1.00 0.00 O ATOM 876 CB TRP B 38 -4.607 1.641 9.477 1.00 0.00 C ATOM 877 CG TRP B 38 -4.268 2.928 10.162 1.00 0.00 C ATOM 878 CD1 TRP B 38 -3.999 3.105 11.490 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.157 4.220 9.556 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.729 4.427 11.744 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.819 5.134 10.573 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.311 4.697 8.250 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.634 6.492 10.325 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.127 6.045 8.004 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.791 6.929 9.037 1.00 0.00 C ATOM 0 H TRP B 38 -6.206 0.355 11.240 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.612 2.236 8.995 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.117 0.820 10.001 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.202 1.660 8.465 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -3.999 2.320 12.231 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.499 4.820 12.657 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.570 4.023 7.447 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.376 7.176 11.120 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.244 6.422 6.999 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.653 7.976 8.813 1.00 0.00 H new ATOM 896 N GLU B 39 -7.024 0.435 7.359 1.00 0.00 N ATOM 897 CA GLU B 39 -7.342 -0.613 6.395 1.00 0.00 C ATOM 898 C GLU B 39 -6.506 -0.461 5.128 1.00 0.00 C ATOM 899 O GLU B 39 -6.372 0.641 4.589 1.00 0.00 O ATOM 900 CB GLU B 39 -8.831 -0.580 6.045 1.00 0.00 C ATOM 901 CG GLU B 39 -9.255 -1.670 5.073 1.00 0.00 C ATOM 902 CD GLU B 39 -9.015 -3.065 5.621 1.00 0.00 C ATOM 903 OE1 GLU B 39 -9.926 -3.608 6.279 1.00 0.00 O ATOM 904 OE2 GLU B 39 -7.916 -3.611 5.389 1.00 0.00 O ATOM 0 H GLU B 39 -7.339 1.366 7.088 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.105 -1.574 6.851 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.413 -0.677 6.962 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.073 0.392 5.615 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.313 -1.552 4.840 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -8.707 -1.551 4.138 1.00 0.00 H new ATOM 911 N LEU B 40 -5.945 -1.571 4.658 1.00 0.00 N ATOM 912 CA LEU B 40 -5.123 -1.561 3.453 1.00 0.00 C ATOM 913 C LEU B 40 -5.990 -1.645 2.202 1.00 0.00 C ATOM 914 O LEU B 40 -6.449 -2.723 1.823 1.00 0.00 O ATOM 915 CB LEU B 40 -4.129 -2.725 3.473 1.00 0.00 C ATOM 916 CG LEU B 40 -3.090 -2.676 4.596 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.250 -3.944 4.597 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.203 -1.449 4.450 1.00 0.00 C ATOM 0 H LEU B 40 -6.045 -2.488 5.093 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.571 -0.621 3.432 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.688 -3.657 3.557 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.606 -2.752 2.517 1.00 0.00 H new ATOM 0 HG LEU B 40 -3.615 -2.608 5.549 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.516 -3.894 5.401 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.896 -4.808 4.749 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.735 -4.040 3.641 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -1.471 -1.431 5.257 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -1.686 -1.486 3.491 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -2.816 -0.549 4.497 1.00 0.00 H new ATOM 930 N ARG B 41 -6.214 -0.500 1.567 1.00 0.00 N ATOM 931 CA ARG B 41 -7.022 -0.444 0.354 1.00 0.00 C ATOM 932 C ARG B 41 -6.246 -1.007 -0.833 1.00 0.00 C ATOM 933 O ARG B 41 -6.834 -1.408 -1.839 1.00 0.00 O ATOM 934 CB ARG B 41 -7.451 0.998 0.070 1.00 0.00 C ATOM 935 CG ARG B 41 -8.455 1.127 -1.066 1.00 0.00 C ATOM 936 CD ARG B 41 -9.757 0.410 -0.748 1.00 0.00 C ATOM 937 NE ARG B 41 -10.732 0.541 -1.828 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.955 0.018 -1.786 1.00 0.00 C ATOM 939 NH1 ARG B 41 -12.349 -0.670 -0.723 1.00 0.00 N ATOM 940 NH2 ARG B 41 -12.784 0.182 -2.809 1.00 0.00 N ATOM 0 H ARG B 41 -5.848 0.402 1.872 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.913 -1.053 0.504 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -7.884 1.423 0.975 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -6.567 1.590 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -8.657 2.181 -1.256 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.026 0.715 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.555 -0.646 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.179 0.815 0.172 1.00 0.00 H new ATOM 0 HE ARG B 41 -10.460 1.063 -2.661 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.714 -0.799 0.065 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -13.287 -1.070 -0.693 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -12.484 0.709 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -13.721 -0.219 -2.775 1.00 0.00 H new ATOM 954 N ASN B 42 -4.920 -1.036 -0.706 1.00 0.00 N ATOM 955 CA ASN B 42 -4.058 -1.555 -1.763 1.00 0.00 C ATOM 956 C ASN B 42 -2.626 -1.732 -1.256 1.00 0.00 C ATOM 957 O ASN B 42 -1.827 -0.798 -1.302 1.00 0.00 O ATOM 958 CB ASN B 42 -4.073 -0.616 -2.973 1.00 0.00 C ATOM 959 CG ASN B 42 -3.335 -1.196 -4.164 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.249 -2.414 -4.323 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.801 -0.325 -5.013 1.00 0.00 N ATOM 0 H ASN B 42 -4.421 -0.706 0.120 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.442 -2.529 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -5.105 -0.408 -3.255 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.620 0.336 -2.696 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.296 -0.658 -5.835 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.896 0.676 -4.843 1.00 0.00 H new ATOM 968 N PRO B 43 -2.286 -2.937 -0.761 1.00 0.00 N ATOM 969 CA PRO B 43 -0.947 -3.229 -0.241 1.00 0.00 C ATOM 970 C PRO B 43 0.072 -3.489 -1.345 1.00 0.00 C ATOM 971 O PRO B 43 1.177 -3.962 -1.080 1.00 0.00 O ATOM 972 CB PRO B 43 -1.171 -4.496 0.580 1.00 0.00 C ATOM 973 CG PRO B 43 -2.284 -5.195 -0.123 1.00 0.00 C ATOM 974 CD PRO B 43 -3.180 -4.111 -0.661 1.00 0.00 C ATOM 0 HA PRO B 43 -0.538 -2.392 0.324 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.273 -5.112 0.615 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.436 -4.261 1.611 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -1.903 -5.823 -0.929 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -2.828 -5.848 0.560 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.597 -4.381 -1.631 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.021 -3.919 0.005 1.00 0.00 H new ATOM 982 N ALA B 44 -0.301 -3.172 -2.584 1.00 0.00 N ATOM 983 CA ALA B 44 0.588 -3.379 -3.723 1.00 0.00 C ATOM 984 C ALA B 44 1.084 -4.821 -3.766 1.00 0.00 C ATOM 985 O ALA B 44 2.203 -5.090 -4.202 1.00 0.00 O ATOM 986 CB ALA B 44 1.765 -2.415 -3.655 1.00 0.00 C ATOM 0 H ALA B 44 -1.209 -2.773 -2.823 1.00 0.00 H new ATOM 0 HA ALA B 44 0.027 -3.184 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.420 -2.580 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.397 -1.389 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.322 -2.585 -2.733 1.00 0.00 H new ATOM 992 N ALA B 45 0.238 -5.743 -3.316 1.00 0.00 N ATOM 993 CA ALA B 45 0.577 -7.165 -3.286 1.00 0.00 C ATOM 994 C ALA B 45 1.048 -7.667 -4.649 1.00 0.00 C ATOM 995 O ALA B 45 1.665 -8.726 -4.746 1.00 0.00 O ATOM 996 CB ALA B 45 -0.621 -7.977 -2.818 1.00 0.00 C ATOM 0 H ALA B 45 -0.695 -5.530 -2.964 1.00 0.00 H new ATOM 0 HA ALA B 45 1.401 -7.292 -2.584 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.359 -9.035 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.909 -7.657 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.455 -7.822 -3.502 1.00 0.00 H new ATOM 1002 N SER B 46 0.754 -6.904 -5.696 1.00 0.00 N ATOM 1003 CA SER B 46 1.144 -7.280 -7.049 1.00 0.00 C ATOM 1004 C SER B 46 2.659 -7.437 -7.169 1.00 0.00 C ATOM 1005 O SER B 46 3.147 -8.149 -8.050 1.00 0.00 O ATOM 1006 CB SER B 46 0.650 -6.238 -8.054 1.00 0.00 C ATOM 1007 OG SER B 46 0.988 -6.605 -9.381 1.00 0.00 O ATOM 0 H SER B 46 0.247 -6.021 -5.633 1.00 0.00 H new ATOM 0 HA SER B 46 0.683 -8.242 -7.271 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.431 -6.130 -7.968 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.087 -5.267 -7.820 1.00 0.00 H new ATOM 0 HG SER B 46 0.659 -5.923 -10.003 1.00 0.00 H new ATOM 1013 N VAL B 47 3.402 -6.776 -6.285 1.00 0.00 N ATOM 1014 CA VAL B 47 4.859 -6.850 -6.308 1.00 0.00 C ATOM 1015 C VAL B 47 5.445 -6.988 -4.905 1.00 0.00 C ATOM 1016 O VAL B 47 6.532 -7.541 -4.731 1.00 0.00 O ATOM 1017 CB VAL B 47 5.474 -5.609 -6.988 1.00 0.00 C ATOM 1018 CG1 VAL B 47 5.021 -5.517 -8.437 1.00 0.00 C ATOM 1019 CG2 VAL B 47 5.107 -4.344 -6.227 1.00 0.00 C ATOM 0 H VAL B 47 3.020 -6.185 -5.546 1.00 0.00 H new ATOM 0 HA VAL B 47 5.111 -7.741 -6.884 1.00 0.00 H new ATOM 0 HB VAL B 47 6.559 -5.711 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.464 -4.636 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL B 47 5.339 -6.410 -8.975 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.934 -5.439 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.550 -3.480 -6.722 1.00 0.00 H new ATOM 0 HG22 VAL B 47 4.023 -4.234 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.485 -4.411 -5.207 1.00 0.00 H new ATOM 1029 N LEU B 48 4.726 -6.483 -3.910 1.00 0.00 N ATOM 1030 CA LEU B 48 5.188 -6.554 -2.525 1.00 0.00 C ATOM 1031 C LEU B 48 4.608 -7.775 -1.817 1.00 0.00 C ATOM 1032 O LEU B 48 3.557 -8.286 -2.201 1.00 0.00 O ATOM 1033 CB LEU B 48 4.801 -5.279 -1.769 1.00 0.00 C ATOM 1034 CG LEU B 48 5.310 -3.974 -2.386 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.804 -2.777 -1.594 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.830 -3.966 -2.452 1.00 0.00 C ATOM 0 H LEU B 48 3.825 -6.022 -4.033 1.00 0.00 H new ATOM 0 HA LEU B 48 6.274 -6.646 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU B 48 3.714 -5.231 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.179 -5.352 -0.749 1.00 0.00 H new ATOM 0 HG LEU B 48 4.924 -3.904 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.176 -1.858 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.714 -2.770 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.159 -2.844 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.170 -3.029 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.238 -4.062 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.172 -4.801 -3.064 1.00 0.00 H new ATOM 1048 N LYS B 49 5.304 -8.236 -0.781 1.00 0.00 N ATOM 1049 CA LYS B 49 4.861 -9.395 -0.013 1.00 0.00 C ATOM 1050 C LYS B 49 5.001 -9.131 1.485 1.00 0.00 C ATOM 1051 O LYS B 49 4.996 -7.982 1.910 1.00 0.00 O ATOM 1052 CB LYS B 49 5.663 -10.633 -0.422 1.00 0.00 C ATOM 1053 CG LYS B 49 4.901 -11.931 -0.264 1.00 0.00 C ATOM 1054 CD LYS B 49 4.193 -12.287 -1.550 1.00 0.00 C ATOM 1055 CE LYS B 49 2.897 -11.507 -1.714 1.00 0.00 C ATOM 1056 NZ LYS B 49 2.216 -11.824 -2.999 1.00 0.00 N ATOM 0 H LYS B 49 6.178 -7.824 -0.454 1.00 0.00 H new ATOM 0 HA LYS B 49 3.808 -9.576 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS B 49 5.972 -10.528 -1.462 1.00 0.00 H new ATOM 0 HB3 LYS B 49 6.572 -10.680 0.177 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.587 -12.731 0.014 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.175 -11.838 0.544 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.850 -12.083 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.979 -13.356 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.229 -11.735 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS B 49 3.108 -10.439 -1.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 1.338 -11.272 -3.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.843 -11.583 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.991 -12.839 -3.031 1.00 0.00 H new ATOM 1070 N ARG B 50 5.117 -10.193 2.280 1.00 0.00 N ATOM 1071 CA ARG B 50 5.245 -10.055 3.730 1.00 0.00 C ATOM 1072 C ARG B 50 4.038 -9.336 4.321 1.00 0.00 C ATOM 1073 O ARG B 50 4.052 -8.918 5.477 1.00 0.00 O ATOM 1074 CB ARG B 50 6.536 -9.321 4.098 1.00 0.00 C ATOM 1075 CG ARG B 50 7.748 -10.234 4.216 1.00 0.00 C ATOM 1076 CD ARG B 50 7.657 -11.147 5.431 1.00 0.00 C ATOM 1077 NE ARG B 50 6.705 -12.236 5.237 1.00 0.00 N ATOM 1078 CZ ARG B 50 6.372 -13.103 6.188 1.00 0.00 C ATOM 1079 NH1 ARG B 50 6.910 -13.010 7.396 1.00 0.00 N ATOM 1080 NH2 ARG B 50 5.496 -14.068 5.931 1.00 0.00 N ATOM 0 H ARG B 50 5.125 -11.157 1.946 1.00 0.00 H new ATOM 0 HA ARG B 50 5.287 -11.058 4.155 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.738 -8.560 3.344 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.390 -8.801 5.045 1.00 0.00 H new ATOM 0 HG2 ARG B 50 7.836 -10.839 3.314 1.00 0.00 H new ATOM 0 HG3 ARG B 50 8.652 -9.629 4.284 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.642 -11.562 5.645 1.00 0.00 H new ATOM 0 HD3 ARG B 50 7.362 -10.561 6.302 1.00 0.00 H new ATOM 0 HE ARG B 50 6.271 -12.338 4.320 1.00 0.00 H new ATOM 0 HH11 ARG B 50 7.583 -12.271 7.599 1.00 0.00 H new ATOM 0 HH12 ARG B 50 6.651 -13.678 8.122 1.00 0.00 H new ATOM 0 HH21 ARG B 50 5.078 -14.144 5.003 1.00 0.00 H new ATOM 0 HH22 ARG B 50 5.241 -14.733 6.661 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.362 0.595 18.651 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.238 1.283 17.372 1.00 0.00 C ATOM 1351 C GLU B 71 -0.239 0.291 16.213 1.00 0.00 C ATOM 1352 O GLU B 71 -0.372 -0.916 16.414 1.00 0.00 O ATOM 1353 CB GLU B 71 1.039 2.128 17.346 1.00 0.00 C ATOM 1354 CG GLU B 71 2.277 1.385 17.828 1.00 0.00 C ATOM 1355 CD GLU B 71 2.738 0.320 16.853 1.00 0.00 C ATOM 1356 OE1 GLU B 71 2.363 -0.858 17.038 1.00 0.00 O ATOM 1357 OE2 GLU B 71 3.473 0.663 15.904 1.00 0.00 O ATOM 0 HA GLU B 71 -1.100 1.940 17.256 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.211 2.479 16.328 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.892 3.011 17.967 1.00 0.00 H new ATOM 0 HG2 GLU B 71 3.085 2.099 17.988 1.00 0.00 H new ATOM 0 HG3 GLU B 71 2.065 0.922 18.792 1.00 0.00 H new ATOM 1364 N SER B 72 -0.091 0.811 14.996 1.00 0.00 N ATOM 1365 CA SER B 72 -0.076 -0.028 13.803 1.00 0.00 C ATOM 1366 C SER B 72 1.350 -0.282 13.328 1.00 0.00 C ATOM 1367 O SER B 72 2.211 0.594 13.416 1.00 0.00 O ATOM 1368 CB SER B 72 -0.889 0.628 12.684 1.00 0.00 C ATOM 1369 OG SER B 72 -2.240 0.804 13.071 1.00 0.00 O ATOM 0 H SER B 72 0.020 1.808 14.812 1.00 0.00 H new ATOM 0 HA SER B 72 -0.527 -0.986 14.060 1.00 0.00 H new ATOM 0 HB2 SER B 72 -0.451 1.594 12.430 1.00 0.00 H new ATOM 0 HB3 SER B 72 -0.842 0.011 11.787 1.00 0.00 H new ATOM 0 HG SER B 72 -2.827 0.601 12.313 1.00 0.00 H new ATOM 1375 N THR B 73 1.594 -1.489 12.825 1.00 0.00 N ATOM 1376 CA THR B 73 2.914 -1.865 12.332 1.00 0.00 C ATOM 1377 C THR B 73 2.799 -2.821 11.149 1.00 0.00 C ATOM 1378 O THR B 73 2.209 -3.893 11.261 1.00 0.00 O ATOM 1379 CB THR B 73 3.758 -2.530 13.437 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.852 -1.663 14.572 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.155 -2.860 12.929 1.00 0.00 C ATOM 0 H THR B 73 0.892 -2.225 12.748 1.00 0.00 H new ATOM 0 HA THR B 73 3.410 -0.948 12.012 1.00 0.00 H new ATOM 0 HB THR B 73 3.266 -3.458 13.728 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.055 -1.770 15.132 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.731 -3.328 13.727 1.00 0.00 H new ATOM 0 HG22 THR B 73 5.083 -3.545 12.084 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.653 -1.944 12.612 1.00 0.00 H new ATOM 1389 N TRP B 74 3.372 -2.426 10.015 1.00 0.00 N ATOM 1390 CA TRP B 74 3.329 -3.250 8.814 1.00 0.00 C ATOM 1391 C TRP B 74 4.732 -3.512 8.277 1.00 0.00 C ATOM 1392 O TRP B 74 5.650 -2.721 8.498 1.00 0.00 O ATOM 1393 CB TRP B 74 2.478 -2.576 7.736 1.00 0.00 C ATOM 1394 CG TRP B 74 1.075 -2.291 8.177 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.072 -3.198 8.358 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.519 -1.008 8.488 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.074 -2.558 8.765 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -0.825 -1.215 8.852 1.00 0.00 C ATOM 1399 CE3 TRP B 74 1.027 0.294 8.498 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -1.666 -0.167 9.220 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 0.192 1.333 8.862 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -1.141 1.097 9.219 1.00 0.00 C ATOM 0 H TRP B 74 3.870 -1.543 9.904 1.00 0.00 H new ATOM 0 HA TRP B 74 2.878 -4.206 9.080 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.954 -1.642 7.439 1.00 0.00 H new ATOM 0 HB3 TRP B 74 2.451 -3.215 6.853 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.165 -4.263 8.204 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.965 -3.010 8.969 1.00 0.00 H new ATOM 0 HE3 TRP B 74 2.055 0.485 8.226 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -2.695 -0.345 9.496 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 0.574 2.343 8.871 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -1.768 1.930 9.500 1.00 0.00 H new ATOM 1413 N ARG B 75 4.889 -4.627 7.569 1.00 0.00 N ATOM 1414 CA ARG B 75 6.178 -4.998 6.998 1.00 0.00 C ATOM 1415 C ARG B 75 5.990 -5.807 5.717 1.00 0.00 C ATOM 1416 O ARG B 75 5.437 -6.904 5.743 1.00 0.00 O ATOM 1417 CB ARG B 75 6.997 -5.799 8.015 1.00 0.00 C ATOM 1418 CG ARG B 75 8.322 -6.310 7.471 1.00 0.00 C ATOM 1419 CD ARG B 75 8.227 -7.765 7.038 1.00 0.00 C ATOM 1420 NE ARG B 75 7.849 -8.642 8.145 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.488 -9.769 8.446 1.00 0.00 C ATOM 1422 NH1 ARG B 75 9.535 -10.155 7.730 1.00 0.00 N ATOM 1423 NH2 ARG B 75 8.079 -10.513 9.465 1.00 0.00 N ATOM 0 H ARG B 75 4.138 -5.290 7.377 1.00 0.00 H new ATOM 0 HA ARG B 75 6.719 -4.085 6.750 1.00 0.00 H new ATOM 0 HB2 ARG B 75 7.190 -5.173 8.886 1.00 0.00 H new ATOM 0 HB3 ARG B 75 6.404 -6.647 8.357 1.00 0.00 H new ATOM 0 HG2 ARG B 75 8.628 -5.697 6.623 1.00 0.00 H new ATOM 0 HG3 ARG B 75 9.093 -6.207 8.234 1.00 0.00 H new ATOM 0 HD2 ARG B 75 7.495 -7.858 6.236 1.00 0.00 H new ATOM 0 HD3 ARG B 75 9.186 -8.086 6.632 1.00 0.00 H new ATOM 0 HE ARG B 75 7.050 -8.374 8.719 1.00 0.00 H new ATOM 0 HH11 ARG B 75 9.853 -9.587 6.945 1.00 0.00 H new ATOM 0 HH12 ARG B 75 10.022 -11.020 7.964 1.00 0.00 H new ATOM 0 HH21 ARG B 75 7.274 -10.221 10.019 1.00 0.00 H new ATOM 0 HH22 ARG B 75 8.570 -11.377 9.695 1.00 0.00 H new ATOM 1437 N PHE B 76 6.457 -5.257 4.602 1.00 0.00 N ATOM 1438 CA PHE B 76 6.344 -5.924 3.306 1.00 0.00 C ATOM 1439 C PHE B 76 7.733 -6.137 2.704 1.00 0.00 C ATOM 1440 O PHE B 76 8.623 -5.307 2.884 1.00 0.00 O ATOM 1441 CB PHE B 76 5.499 -5.081 2.346 1.00 0.00 C ATOM 1442 CG PHE B 76 4.601 -4.088 3.028 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.499 -4.510 3.754 1.00 0.00 C ATOM 1444 CD2 PHE B 76 4.861 -2.729 2.940 1.00 0.00 C ATOM 1445 CE1 PHE B 76 2.671 -3.595 4.376 1.00 0.00 C ATOM 1446 CE2 PHE B 76 4.038 -1.810 3.561 1.00 0.00 C ATOM 1447 CZ PHE B 76 2.941 -2.245 4.280 1.00 0.00 C ATOM 0 H PHE B 76 6.919 -4.348 4.567 1.00 0.00 H new ATOM 0 HA PHE B 76 5.861 -6.889 3.455 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.164 -4.547 1.667 1.00 0.00 H new ATOM 0 HB3 PHE B 76 4.889 -5.747 1.736 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.285 -5.565 3.835 1.00 0.00 H new ATOM 0 HD2 PHE B 76 5.717 -2.385 2.379 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.813 -3.936 4.937 1.00 0.00 H new ATOM 0 HE2 PHE B 76 4.251 -0.754 3.485 1.00 0.00 H new ATOM 0 HZ PHE B 76 2.295 -1.529 4.767 1.00 0.00 H new ATOM 1457 N ARG B 77 7.907 -7.244 1.985 1.00 0.00 N ATOM 1458 CA ARG B 77 9.190 -7.558 1.361 1.00 0.00 C ATOM 1459 C ARG B 77 9.074 -7.546 -0.158 1.00 0.00 C ATOM 1460 O ARG B 77 8.093 -8.035 -0.718 1.00 0.00 O ATOM 1461 CB ARG B 77 9.694 -8.922 1.843 1.00 0.00 C ATOM 1462 CG ARG B 77 11.170 -9.175 1.573 1.00 0.00 C ATOM 1463 CD ARG B 77 11.414 -9.630 0.143 1.00 0.00 C ATOM 1464 NE ARG B 77 12.776 -10.121 -0.049 1.00 0.00 N ATOM 1465 CZ ARG B 77 13.129 -10.952 -1.026 1.00 0.00 C ATOM 1466 NH1 ARG B 77 12.225 -11.380 -1.897 1.00 0.00 N ATOM 1467 NH2 ARG B 77 14.387 -11.355 -1.132 1.00 0.00 N ATOM 0 H ARG B 77 7.177 -7.937 1.820 1.00 0.00 H new ATOM 0 HA ARG B 77 9.908 -6.792 1.654 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.513 -9.005 2.915 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.109 -9.704 1.359 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.736 -8.264 1.766 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.541 -9.932 2.263 1.00 0.00 H new ATOM 0 HD2 ARG B 77 10.705 -10.417 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG B 77 11.228 -8.800 -0.539 1.00 0.00 H new ATOM 0 HE ARG B 77 13.497 -9.809 0.602 1.00 0.00 H new ATOM 0 HH11 ARG B 77 11.256 -11.072 -1.819 1.00 0.00 H new ATOM 0 HH12 ARG B 77 12.499 -12.017 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.085 -11.028 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG B 77 14.657 -11.992 -1.881 1.00 0.00 H new ATOM 1481 N VAL B 78 10.081 -6.985 -0.823 1.00 0.00 N ATOM 1482 CA VAL B 78 10.082 -6.912 -2.282 1.00 0.00 C ATOM 1483 C VAL B 78 10.073 -8.307 -2.901 1.00 0.00 C ATOM 1484 O VAL B 78 11.073 -9.024 -2.854 1.00 0.00 O ATOM 1485 CB VAL B 78 11.303 -6.135 -2.812 1.00 0.00 C ATOM 1486 CG1 VAL B 78 11.260 -6.046 -4.331 1.00 0.00 C ATOM 1487 CG2 VAL B 78 11.363 -4.747 -2.196 1.00 0.00 C ATOM 0 H VAL B 78 10.903 -6.576 -0.378 1.00 0.00 H new ATOM 0 HA VAL B 78 9.175 -6.381 -2.570 1.00 0.00 H new ATOM 0 HB VAL B 78 12.205 -6.675 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL B 78 12.130 -5.494 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.269 -7.050 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL B 78 10.351 -5.530 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL B 78 12.232 -4.215 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL B 78 10.457 -4.197 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL B 78 11.443 -4.833 -1.112 1.00 0.00 H new ATOM 1497 N ALA B 79 8.940 -8.683 -3.485 1.00 0.00 N ATOM 1498 CA ALA B 79 8.799 -9.993 -4.113 1.00 0.00 C ATOM 1499 C ALA B 79 9.297 -9.968 -5.555 1.00 0.00 C ATOM 1500 O ALA B 79 10.206 -10.715 -5.919 1.00 0.00 O ATOM 1501 CB ALA B 79 7.349 -10.449 -4.061 1.00 0.00 C ATOM 0 H ALA B 79 8.105 -8.099 -3.537 1.00 0.00 H new ATOM 0 HA ALA B 79 9.412 -10.703 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA B 79 7.258 -11.427 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.026 -10.516 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.723 -9.731 -4.591 1.00 0.00 H new ATOM 1507 N ALA B 80 8.693 -9.110 -6.371 1.00 0.00 N ATOM 1508 CA ALA B 80 9.073 -8.992 -7.774 1.00 0.00 C ATOM 1509 C ALA B 80 9.026 -7.544 -8.243 1.00 0.00 C ATOM 1510 O ALA B 80 8.746 -6.631 -7.464 1.00 0.00 O ATOM 1511 CB ALA B 80 8.170 -9.849 -8.646 1.00 0.00 C ATOM 0 H ALA B 80 7.938 -8.486 -6.085 1.00 0.00 H new ATOM 0 HA ALA B 80 10.099 -9.347 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA B 80 8.469 -9.748 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA B 80 8.256 -10.893 -8.343 1.00 0.00 H new ATOM 0 HB3 ALA B 80 7.137 -9.522 -8.531 1.00 0.00 H new ATOM 1517 N SER B 81 9.305 -7.350 -9.525 1.00 0.00 N ATOM 1518 CA SER B 81 9.301 -6.033 -10.124 1.00 0.00 C ATOM 1519 C SER B 81 7.895 -5.632 -10.550 1.00 0.00 C ATOM 1520 O SER B 81 6.960 -6.430 -10.482 1.00 0.00 O ATOM 1521 CB SER B 81 10.238 -6.016 -11.329 1.00 0.00 C ATOM 1522 OG SER B 81 11.591 -6.127 -10.924 1.00 0.00 O ATOM 0 H SER B 81 9.539 -8.102 -10.173 1.00 0.00 H new ATOM 0 HA SER B 81 9.648 -5.313 -9.383 1.00 0.00 H new ATOM 0 HB2 SER B 81 9.987 -6.838 -12.000 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.098 -5.092 -11.890 1.00 0.00 H new ATOM 0 HG SER B 81 12.147 -6.355 -11.698 1.00 0.00 H new ATOM 1528 N GLY B 82 7.764 -4.393 -11.001 1.00 0.00 N ATOM 1529 CA GLY B 82 6.472 -3.888 -11.432 1.00 0.00 C ATOM 1530 C GLY B 82 6.104 -2.584 -10.752 1.00 0.00 C ATOM 1531 O GLY B 82 6.630 -2.264 -9.684 1.00 0.00 O ATOM 0 H GLY B 82 8.531 -3.725 -11.077 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.485 -3.740 -12.512 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.705 -4.633 -11.221 1.00 0.00 H new ATOM 1535 N ASP B 83 5.200 -1.830 -11.369 1.00 0.00 N ATOM 1536 CA ASP B 83 4.764 -0.555 -10.825 1.00 0.00 C ATOM 1537 C ASP B 83 3.493 -0.713 -9.994 1.00 0.00 C ATOM 1538 O ASP B 83 2.532 -1.351 -10.427 1.00 0.00 O ATOM 1539 CB ASP B 83 4.519 0.435 -11.964 1.00 0.00 C ATOM 1540 CG ASP B 83 3.615 -0.134 -13.041 1.00 0.00 C ATOM 1541 OD1 ASP B 83 4.139 -0.761 -13.986 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.384 0.046 -12.939 1.00 0.00 O ATOM 0 H ASP B 83 4.755 -2.084 -12.251 1.00 0.00 H new ATOM 0 HA ASP B 83 5.550 -0.177 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP B 83 4.072 1.344 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP B 83 5.474 0.718 -12.407 1.00 0.00 H new ATOM 1547 N ASP B 84 3.496 -0.130 -8.798 1.00 0.00 N ATOM 1548 CA ASP B 84 2.344 -0.204 -7.907 1.00 0.00 C ATOM 1549 C ASP B 84 2.230 1.058 -7.059 1.00 0.00 C ATOM 1550 O ASP B 84 3.028 1.985 -7.199 1.00 0.00 O ATOM 1551 CB ASP B 84 2.443 -1.437 -7.008 1.00 0.00 C ATOM 1552 CG ASP B 84 2.108 -2.716 -7.746 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.934 -3.138 -7.696 1.00 0.00 O ATOM 1554 OD2 ASP B 84 3.018 -3.293 -8.376 1.00 0.00 O ATOM 0 H ASP B 84 4.284 0.399 -8.424 1.00 0.00 H new ATOM 0 HA ASP B 84 1.447 -0.287 -8.520 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.452 -1.508 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.767 -1.321 -6.161 1.00 0.00 H new ATOM 1559 N ARG B 85 1.233 1.087 -6.183 1.00 0.00 N ATOM 1560 CA ARG B 85 1.014 2.236 -5.314 1.00 0.00 C ATOM 1561 C ARG B 85 0.242 1.830 -4.064 1.00 0.00 C ATOM 1562 O ARG B 85 -0.893 1.358 -4.151 1.00 0.00 O ATOM 1563 CB ARG B 85 0.247 3.322 -6.070 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.047 4.552 -5.230 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.910 5.547 -5.989 1.00 0.00 C ATOM 1566 NE ARG B 85 -2.239 5.010 -6.273 1.00 0.00 N ATOM 1567 CZ ARG B 85 -3.217 5.719 -6.832 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -3.014 6.988 -7.163 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -4.397 5.159 -7.057 1.00 0.00 N ATOM 0 H ARG B 85 0.564 0.328 -6.056 1.00 0.00 H new ATOM 0 HA ARG B 85 1.985 2.626 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.823 3.619 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.693 2.906 -6.433 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.553 4.255 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.889 5.028 -4.938 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.006 6.463 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -0.419 5.814 -6.925 1.00 0.00 H new ATOM 0 HE ARG B 85 -2.428 4.038 -6.029 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.107 7.422 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -3.765 7.530 -7.591 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -4.556 4.184 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -5.146 5.703 -7.485 1.00 0.00 H new ATOM 1583 N LEU B 86 0.859 2.014 -2.903 1.00 0.00 N ATOM 1584 CA LEU B 86 0.224 1.666 -1.641 1.00 0.00 C ATOM 1585 C LEU B 86 -0.963 2.579 -1.360 1.00 0.00 C ATOM 1586 O LEU B 86 -0.926 3.775 -1.651 1.00 0.00 O ATOM 1587 CB LEU B 86 1.234 1.752 -0.495 1.00 0.00 C ATOM 1588 CG LEU B 86 2.149 0.535 -0.333 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.048 0.707 0.883 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.335 -0.741 -0.209 1.00 0.00 C ATOM 0 H LEU B 86 1.798 2.402 -2.811 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.140 0.641 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU B 86 1.855 2.635 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU B 86 0.689 1.902 0.437 1.00 0.00 H new ATOM 0 HG LEU B 86 2.773 0.457 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.693 -0.166 0.985 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.662 1.599 0.758 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.434 0.811 1.778 1.00 0.00 H new ATOM 0 HD21 LEU B 86 2.007 -1.592 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.684 -0.674 0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.729 -0.875 -1.105 1.00 0.00 H new ATOM 1602 N GLU B 87 -2.018 2.004 -0.792 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.221 2.761 -0.468 1.00 0.00 C ATOM 1604 C GLU B 87 -3.724 2.401 0.924 1.00 0.00 C ATOM 1605 O GLU B 87 -4.266 1.317 1.138 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.319 2.490 -1.502 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.880 2.739 -2.936 1.00 0.00 C ATOM 1608 CD GLU B 87 -5.049 2.833 -3.897 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.567 3.951 -4.097 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.447 1.785 -4.451 1.00 0.00 O ATOM 0 H GLU B 87 -2.064 1.015 -0.546 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.969 3.821 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.649 1.456 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -5.180 3.121 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -3.303 3.663 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.217 1.934 -3.254 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.537 3.316 1.870 1.00 0.00 N ATOM 1618 CA LEU B 88 -3.975 3.095 3.243 1.00 0.00 C ATOM 1619 C LEU B 88 -4.998 4.144 3.659 1.00 0.00 C ATOM 1620 O LEU B 88 -4.686 5.332 3.737 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.779 3.127 4.200 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.726 2.039 3.972 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.836 2.391 2.786 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -0.891 1.834 5.226 1.00 0.00 C ATOM 0 H LEU B 88 -3.085 4.217 1.711 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.443 2.112 3.293 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.295 4.100 4.117 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.150 3.041 5.221 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.241 1.106 3.746 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.095 1.605 2.641 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.447 2.484 1.888 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.329 3.336 2.979 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.148 1.057 5.045 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.387 2.765 5.484 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.539 1.532 6.049 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.222 3.699 3.924 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.287 4.607 4.332 1.00 0.00 C ATOM 1638 C VAL B 89 -7.615 4.436 5.812 1.00 0.00 C ATOM 1639 O VAL B 89 -7.664 3.318 6.325 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.566 4.391 3.498 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -8.299 4.675 2.027 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.104 2.979 3.685 1.00 0.00 C ATOM 0 H VAL B 89 -6.500 2.719 3.864 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.924 5.620 4.159 1.00 0.00 H new ATOM 0 HB VAL B 89 -9.324 5.090 3.851 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.213 4.517 1.454 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.971 5.708 1.910 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.522 4.004 1.662 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.006 2.851 3.087 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.352 2.258 3.366 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.340 2.816 4.737 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.835 5.557 6.494 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.154 5.538 7.916 1.00 0.00 C ATOM 1654 C TYR B 90 -9.657 5.377 8.133 1.00 0.00 C ATOM 1655 O TYR B 90 -10.419 6.336 8.001 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.662 6.827 8.581 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.833 6.849 10.083 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.689 7.760 10.691 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.135 5.964 10.894 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.845 7.787 12.063 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.286 5.984 12.267 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.141 6.898 12.848 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.292 6.921 14.215 1.00 0.00 O ATOM 0 H TYR B 90 -7.798 6.490 6.083 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.649 4.686 8.370 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.607 6.966 8.344 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.199 7.673 8.152 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.241 8.459 10.080 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.463 5.248 10.444 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.515 8.501 12.519 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.737 5.287 12.883 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.451 6.011 14.542 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.074 4.158 8.458 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.485 3.867 8.689 1.00 0.00 C ATOM 1675 C ARG B 91 -11.655 2.538 9.418 1.00 0.00 C ATOM 1676 O ARG B 91 -10.674 1.901 9.804 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.242 3.831 7.359 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.780 2.720 6.427 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.578 2.710 5.133 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.152 1.641 4.235 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.738 1.378 3.070 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.770 2.105 2.665 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.290 0.388 2.311 1.00 0.00 N ATOM 0 H ARG B 91 -9.455 3.355 8.568 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.896 4.659 9.315 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.306 3.707 7.559 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.122 4.790 6.856 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.721 2.849 6.202 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.884 1.757 6.927 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.637 2.591 5.361 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.466 3.671 4.631 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.360 1.063 4.517 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.116 2.868 3.247 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.218 1.902 1.771 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.496 -0.172 2.620 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.739 0.187 1.418 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.905 2.126 9.602 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.205 0.871 10.279 1.00 0.00 C ATOM 1699 C ARG B 92 -12.998 -0.314 9.332 1.00 0.00 C ATOM 1700 O ARG B 92 -13.719 -0.457 8.344 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.643 0.884 10.800 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.917 2.008 11.789 1.00 0.00 C ATOM 1703 CD ARG B 92 -16.359 1.993 12.271 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.632 3.071 13.218 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.813 3.264 13.799 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.829 2.452 13.528 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.979 4.266 14.650 1.00 0.00 N ATOM 0 H ARG B 92 -13.727 2.644 9.291 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.524 0.762 11.123 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.327 0.978 9.956 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.857 -0.072 11.279 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -14.247 1.913 12.643 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.700 2.967 11.319 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -17.028 2.084 11.415 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.574 1.034 12.742 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.873 3.713 13.447 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.704 1.679 12.874 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.734 2.601 13.974 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -17.201 4.891 14.860 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.885 4.413 15.095 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.006 -1.180 9.620 1.00 0.00 N ATOM 1722 CA PRO B 93 -11.702 -2.344 8.778 1.00 0.00 C ATOM 1723 C PRO B 93 -12.814 -3.389 8.774 1.00 0.00 C ATOM 1724 O PRO B 93 -12.993 -4.108 7.792 1.00 0.00 O ATOM 1725 CB PRO B 93 -10.432 -2.921 9.412 1.00 0.00 C ATOM 1726 CG PRO B 93 -10.467 -2.454 10.824 1.00 0.00 C ATOM 1727 CD PRO B 93 -11.104 -1.096 10.786 1.00 0.00 C ATOM 0 HA PRO B 93 -11.588 -2.059 7.732 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -10.421 -4.009 9.355 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -9.538 -2.566 8.900 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.041 -3.138 11.449 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -9.463 -2.404 11.245 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -11.651 -0.882 11.704 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -10.362 -0.306 10.666 1.00 0.00 H new ATOM 1735 N TRP B 94 -13.561 -3.473 9.872 1.00 0.00 N ATOM 1736 CA TRP B 94 -14.646 -4.444 9.977 1.00 0.00 C ATOM 1737 C TRP B 94 -15.820 -4.064 9.077 1.00 0.00 C ATOM 1738 O TRP B 94 -16.788 -4.816 8.959 1.00 0.00 O ATOM 1739 CB TRP B 94 -15.114 -4.577 11.429 1.00 0.00 C ATOM 1740 CG TRP B 94 -15.549 -3.284 12.048 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -16.682 -2.577 11.764 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -14.859 -2.546 13.065 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -16.735 -1.443 12.535 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -15.629 -1.402 13.344 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -13.664 -2.742 13.765 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -15.246 -0.458 14.291 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -13.285 -1.804 14.707 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -14.072 -0.674 14.962 1.00 0.00 C ATOM 0 H TRP B 94 -13.436 -2.885 10.696 1.00 0.00 H new ATOM 0 HA TRP B 94 -14.260 -5.407 9.643 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -15.942 -5.285 11.470 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -14.304 -4.999 12.024 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -17.427 -2.868 11.039 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -17.477 -0.744 12.510 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -13.049 -3.609 13.573 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -15.852 0.413 14.490 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -12.366 -1.945 15.256 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -13.746 0.041 15.703 1.00 0.00 H new ATOM 1759 N GLU B 95 -15.731 -2.897 8.446 1.00 0.00 N ATOM 1760 CA GLU B 95 -16.787 -2.430 7.554 1.00 0.00 C ATOM 1761 C GLU B 95 -16.458 -2.757 6.101 1.00 0.00 C ATOM 1762 O GLU B 95 -15.304 -3.013 5.759 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.000 -0.922 7.710 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.504 -0.514 9.081 1.00 0.00 C ATOM 1765 CD GLU B 95 -18.012 0.914 9.115 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -19.245 1.105 9.092 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -17.177 1.842 9.163 1.00 0.00 O ATOM 0 H GLU B 95 -14.940 -2.259 8.535 1.00 0.00 H new ATOM 0 HA GLU B 95 -17.706 -2.947 7.829 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.059 -0.409 7.512 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.712 -0.585 6.956 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.305 -1.188 9.385 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.700 -0.627 9.808 1.00 0.00 H new ATOM 1774 N LYS B 96 -17.481 -2.748 5.252 1.00 0.00 N ATOM 1775 CA LYS B 96 -17.301 -3.042 3.834 1.00 0.00 C ATOM 1776 C LYS B 96 -17.036 -1.766 3.043 1.00 0.00 C ATOM 1777 O LYS B 96 -16.006 -1.636 2.382 1.00 0.00 O ATOM 1778 CB LYS B 96 -18.537 -3.753 3.277 1.00 0.00 C ATOM 1779 CG LYS B 96 -18.835 -5.083 3.953 1.00 0.00 C ATOM 1780 CD LYS B 96 -17.732 -6.098 3.703 1.00 0.00 C ATOM 1781 CE LYS B 96 -18.035 -7.426 4.376 1.00 0.00 C ATOM 1782 NZ LYS B 96 -16.964 -8.433 4.129 1.00 0.00 N ATOM 0 H LYS B 96 -18.443 -2.540 5.521 1.00 0.00 H new ATOM 0 HA LYS B 96 -16.436 -3.698 3.732 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -19.402 -3.098 3.386 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -18.398 -3.922 2.209 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.951 -4.928 5.026 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -19.782 -5.476 3.583 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -17.613 -6.251 2.630 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -16.785 -5.707 4.076 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -18.147 -7.272 5.449 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -18.986 -7.810 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -17.209 -9.324 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -16.874 -8.600 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -16.061 -8.078 4.503 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.974 -0.826 3.118 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.842 0.443 2.409 1.00 0.00 C ATOM 1798 C ASP B 97 -18.354 1.600 3.263 1.00 0.00 C ATOM 1799 O ASP B 97 -19.558 1.745 3.471 1.00 0.00 O ATOM 1800 CB ASP B 97 -18.608 0.394 1.085 1.00 0.00 C ATOM 1801 CG ASP B 97 -18.094 -0.690 0.159 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -17.183 -0.402 -0.646 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.600 -1.830 0.239 1.00 0.00 O ATOM 0 H ASP B 97 -18.832 -0.919 3.661 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.784 0.607 2.203 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -19.666 0.224 1.287 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -18.529 1.360 0.587 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.428 2.418 3.757 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.784 3.563 4.587 1.00 0.00 C ATOM 1810 C ALA B 98 -16.839 4.732 4.340 1.00 0.00 C ATOM 1811 O ALA B 98 -15.652 4.537 4.075 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.771 3.172 6.057 1.00 0.00 C ATOM 0 H ALA B 98 -16.427 2.308 3.596 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.791 3.880 4.316 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.038 4.036 6.666 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.491 2.371 6.227 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.774 2.828 6.333 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.371 5.948 4.431 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.575 7.151 4.216 1.00 0.00 C ATOM 1820 C GLU B 99 -15.420 7.229 5.217 1.00 0.00 C ATOM 1821 O GLU B 99 -15.640 7.415 6.414 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.454 8.396 4.331 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.335 8.401 5.562 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.128 9.684 5.711 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -20.263 9.743 5.194 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -18.614 10.630 6.344 1.00 0.00 O ATOM 0 H GLU B 99 -18.351 6.125 4.652 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.155 7.104 3.211 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -16.817 9.281 4.346 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -18.083 8.471 3.444 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -19.023 7.557 5.514 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -17.716 8.257 6.447 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.167 7.084 4.742 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.984 7.140 5.603 1.00 0.00 C ATOM 1835 C PRO B 100 -12.663 8.563 6.050 1.00 0.00 C ATOM 1836 O PRO B 100 -12.772 9.508 5.267 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.849 6.594 4.719 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.498 6.115 3.459 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.797 6.854 3.340 1.00 0.00 C ATOM 0 HA PRO B 100 -13.132 6.571 6.521 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.112 7.369 4.508 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.322 5.781 5.219 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -11.861 6.310 2.596 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.666 5.039 3.494 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -13.682 7.790 2.793 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.550 6.267 2.813 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.268 8.709 7.311 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.927 10.019 7.855 1.00 0.00 C ATOM 1849 C ALA B 101 -10.711 10.597 7.145 1.00 0.00 C ATOM 1850 O ALA B 101 -10.776 11.676 6.555 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.665 9.919 9.351 1.00 0.00 C ATOM 0 H ALA B 101 -12.176 7.939 7.974 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.772 10.688 7.691 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.412 10.904 9.743 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.559 9.548 9.853 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.837 9.233 9.530 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.601 9.870 7.207 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.366 10.299 6.571 1.00 0.00 C ATOM 1859 C GLU B 102 -8.101 9.520 5.293 1.00 0.00 C ATOM 1860 O GLU B 102 -9.000 8.896 4.728 1.00 0.00 O ATOM 1861 CB GLU B 102 -7.188 10.114 7.525 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.861 11.348 8.339 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.776 12.607 7.498 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -7.798 13.313 7.380 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -5.685 12.886 6.956 1.00 0.00 O ATOM 0 H GLU B 102 -9.534 8.977 7.695 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.475 11.354 6.320 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.408 9.290 8.204 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.308 9.826 6.949 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.622 11.482 9.108 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.912 11.196 8.853 1.00 0.00 H new ATOM 1872 N SER B 103 -6.851 9.564 4.851 1.00 0.00 N ATOM 1873 CA SER B 103 -6.439 8.865 3.637 1.00 0.00 C ATOM 1874 C SER B 103 -4.926 8.913 3.467 1.00 0.00 C ATOM 1875 O SER B 103 -4.264 9.830 3.954 1.00 0.00 O ATOM 1876 CB SER B 103 -7.119 9.476 2.410 1.00 0.00 C ATOM 1877 OG SER B 103 -6.779 10.843 2.266 1.00 0.00 O ATOM 0 H SER B 103 -6.102 10.077 5.315 1.00 0.00 H new ATOM 0 HA SER B 103 -6.745 7.823 3.731 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.822 8.928 1.516 1.00 0.00 H new ATOM 0 HB3 SER B 103 -8.200 9.375 2.502 1.00 0.00 H new ATOM 0 HG SER B 103 -7.225 11.209 1.474 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.384 7.918 2.772 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.947 7.846 2.533 1.00 0.00 C ATOM 1885 C PHE B 104 -2.644 7.074 1.251 1.00 0.00 C ATOM 1886 O PHE B 104 -3.324 6.102 0.924 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.243 7.183 3.720 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.745 7.175 3.607 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.002 8.269 4.012 1.00 0.00 C ATOM 1890 CD2 PHE B 104 -0.083 6.070 3.094 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.380 8.263 3.911 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.296 6.058 2.989 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.027 7.156 3.398 1.00 0.00 C ATOM 0 H PHE B 104 -4.918 7.151 2.364 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.573 8.863 2.419 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.527 7.702 4.635 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.597 6.156 3.813 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.499 9.138 4.412 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.651 5.209 2.773 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.950 9.122 4.233 1.00 0.00 H new ATOM 0 HE2 PHE B 104 1.800 5.191 2.588 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.104 7.149 3.317 1.00 0.00 H new ATOM 1903 N SER B 105 -1.622 7.521 0.527 1.00 0.00 N ATOM 1904 CA SER B 105 -1.224 6.877 -0.720 1.00 0.00 C ATOM 1905 C SER B 105 0.213 7.243 -1.079 1.00 0.00 C ATOM 1906 O SER B 105 0.620 8.397 -0.943 1.00 0.00 O ATOM 1907 CB SER B 105 -2.167 7.285 -1.854 1.00 0.00 C ATOM 1908 OG SER B 105 -2.148 8.689 -2.055 1.00 0.00 O ATOM 0 H SER B 105 -1.054 8.328 0.783 1.00 0.00 H new ATOM 0 HA SER B 105 -1.284 5.797 -0.582 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.874 6.779 -2.774 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.182 6.962 -1.621 1.00 0.00 H new ATOM 0 HG SER B 105 -2.757 8.923 -2.786 1.00 0.00 H new ATOM 1914 N CYS B 106 0.975 6.255 -1.535 1.00 0.00 N ATOM 1915 CA CYS B 106 2.368 6.482 -1.906 1.00 0.00 C ATOM 1916 C CYS B 106 2.750 5.654 -3.133 1.00 0.00 C ATOM 1917 O CYS B 106 2.365 4.491 -3.253 1.00 0.00 O ATOM 1918 CB CYS B 106 3.287 6.133 -0.734 1.00 0.00 C ATOM 1919 SG CYS B 106 4.966 6.831 -0.872 1.00 0.00 S ATOM 0 H CYS B 106 0.655 5.294 -1.656 1.00 0.00 H new ATOM 0 HA CYS B 106 2.486 7.537 -2.154 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.832 6.490 0.190 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.361 5.048 -0.655 1.00 0.00 H new ATOM 1924 N ALA B 107 3.511 6.266 -4.038 1.00 0.00 N ATOM 1925 CA ALA B 107 3.945 5.591 -5.257 1.00 0.00 C ATOM 1926 C ALA B 107 5.095 4.629 -4.974 1.00 0.00 C ATOM 1927 O ALA B 107 6.059 4.983 -4.291 1.00 0.00 O ATOM 1928 CB ALA B 107 4.353 6.612 -6.308 1.00 0.00 C ATOM 0 H ALA B 107 3.839 7.228 -3.949 1.00 0.00 H new ATOM 0 HA ALA B 107 3.106 5.009 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.675 6.095 -7.212 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.504 7.255 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.174 7.219 -5.926 1.00 0.00 H new ATOM 1934 N ILE B 108 4.989 3.414 -5.502 1.00 0.00 N ATOM 1935 CA ILE B 108 6.017 2.393 -5.302 1.00 0.00 C ATOM 1936 C ILE B 108 6.156 1.501 -6.530 1.00 0.00 C ATOM 1937 O ILE B 108 5.302 0.653 -6.790 1.00 0.00 O ATOM 1938 CB ILE B 108 5.691 1.508 -4.081 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.770 2.332 -2.794 1.00 0.00 C ATOM 1940 CG2 ILE B 108 6.635 0.313 -4.012 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.253 1.603 -1.573 1.00 0.00 C ATOM 0 H ILE B 108 4.201 3.110 -6.073 1.00 0.00 H new ATOM 0 HA ILE B 108 6.956 2.919 -5.130 1.00 0.00 H new ATOM 0 HB ILE B 108 4.675 1.130 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.807 2.622 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.200 3.251 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.387 -0.297 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE B 108 6.531 -0.285 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.663 0.666 -3.926 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.341 2.249 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.207 1.337 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE B 108 5.839 0.697 -1.415 1.00 0.00 H new ATOM 1953 N GLN B 109 7.235 1.692 -7.285 1.00 0.00 N ATOM 1954 CA GLN B 109 7.473 0.886 -8.477 1.00 0.00 C ATOM 1955 C GLN B 109 8.783 0.115 -8.356 1.00 0.00 C ATOM 1956 O GLN B 109 9.558 0.332 -7.423 1.00 0.00 O ATOM 1957 CB GLN B 109 7.495 1.769 -9.727 1.00 0.00 C ATOM 1958 CG GLN B 109 6.242 2.610 -9.900 1.00 0.00 C ATOM 1959 CD GLN B 109 6.262 3.431 -11.176 1.00 0.00 C ATOM 1960 OE1 GLN B 109 7.324 3.829 -11.655 1.00 0.00 O ATOM 1961 NE2 GLN B 109 5.084 3.686 -11.733 1.00 0.00 N ATOM 0 H GLN B 109 7.952 2.392 -7.094 1.00 0.00 H new ATOM 0 HA GLN B 109 6.657 0.169 -8.569 1.00 0.00 H new ATOM 0 HB2 GLN B 109 8.362 2.429 -9.680 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.622 1.137 -10.606 1.00 0.00 H new ATOM 0 HG2 GLN B 109 5.369 1.958 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.136 3.277 -9.045 1.00 0.00 H new ATOM 0 HE21 GLN B 109 4.229 3.336 -11.301 1.00 0.00 H new ATOM 0 HE22 GLN B 109 5.034 4.232 -12.593 1.00 0.00 H new ATOM 1970 N VAL B 110 9.020 -0.798 -9.293 1.00 0.00 N ATOM 1971 CA VAL B 110 10.243 -1.596 -9.294 1.00 0.00 C ATOM 1972 C VAL B 110 10.750 -1.804 -10.715 1.00 0.00 C ATOM 1973 O VAL B 110 9.980 -1.737 -11.674 1.00 0.00 O ATOM 1974 CB VAL B 110 10.034 -2.974 -8.628 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.360 -3.701 -8.469 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.351 -2.821 -7.278 1.00 0.00 C ATOM 0 H VAL B 110 8.382 -1.004 -10.062 1.00 0.00 H new ATOM 0 HA VAL B 110 10.981 -1.040 -8.716 1.00 0.00 H new ATOM 0 HB VAL B 110 9.390 -3.568 -9.276 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.190 -4.669 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL B 110 11.814 -3.849 -9.449 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.028 -3.107 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.213 -3.803 -6.826 1.00 0.00 H new ATOM 0 HG22 VAL B 110 9.969 -2.205 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.380 -2.345 -7.413 1.00 0.00 H new ATOM 1986 N ARG B 111 12.049 -2.051 -10.842 1.00 0.00 N ATOM 1987 CA ARG B 111 12.669 -2.272 -12.144 1.00 0.00 C ATOM 1988 C ARG B 111 12.524 -1.040 -13.035 1.00 0.00 C ATOM 1989 O ARG B 111 11.515 -0.951 -13.766 1.00 0.00 O ATOM 1990 CB ARG B 111 12.042 -3.490 -12.828 1.00 0.00 C ATOM 1991 CG ARG B 111 12.718 -3.884 -14.123 1.00 0.00 C ATOM 1992 CD ARG B 111 14.090 -4.447 -13.850 1.00 0.00 C ATOM 1993 NE ARG B 111 14.788 -4.828 -15.075 1.00 0.00 N ATOM 1994 CZ ARG B 111 15.937 -5.499 -15.092 1.00 0.00 C ATOM 1995 NH1 ARG B 111 16.513 -5.863 -13.952 1.00 0.00 N ATOM 1996 NH2 ARG B 111 16.508 -5.808 -16.246 1.00 0.00 N ATOM 1997 OXT ARG B 111 13.423 -0.173 -12.993 1.00 0.00 O ATOM 0 H ARG B 111 12.696 -2.103 -10.055 1.00 0.00 H new ATOM 0 HA ARG B 111 13.731 -2.458 -11.987 1.00 0.00 H new ATOM 0 HB2 ARG B 111 12.074 -4.336 -12.141 1.00 0.00 H new ATOM 0 HB3 ARG B 111 10.991 -3.281 -13.028 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.112 -4.624 -14.646 1.00 0.00 H new ATOM 0 HG3 ARG B 111 12.798 -3.016 -14.778 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.683 -3.707 -13.312 1.00 0.00 H new ATOM 0 HD3 ARG B 111 14.000 -5.318 -13.200 1.00 0.00 H new ATOM 0 HE ARG B 111 14.371 -4.565 -15.968 1.00 0.00 H new ATOM 0 HH11 ARG B 111 16.075 -5.628 -13.061 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.394 -6.377 -13.967 1.00 0.00 H new ATOM 0 HH21 ARG B 111 16.067 -5.532 -17.123 1.00 0.00 H new ATOM 0 HH22 ARG B 111 17.389 -6.322 -16.258 1.00 0.00 H new