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 Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -2.36! USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.332 USER MOD Single : B 20 GLN :FLIP amide:sc= -0.879 F(o=-2.3,f=-0.88) USER MOD Single : B 22 GLN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= -0.897 USER MOD Single : B 31 ASN : amide:sc= -1.03 K(o=-1,f=-7.9!) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot 8:sc= 0.644 USER MOD Single : B 42 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.32) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 160:sc= -0.0659 (180deg=-0.467) USER MOD Single : B 72 SER OG : rot -37:sc= 1.21 USER MOD Single : B 73 THR OG1 : rot -19:sc= 0.757 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 30:sc= -0.73 USER MOD Single : B 96 LYS NZ :NH3+ 166:sc= -0.0432 (180deg=-0.288) USER MOD Single : B 103 SER OG : rot 180:sc= -0.161 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 109 GLN :FLIP amide:sc=-0.00592 F(o=-1.7,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 14.276 1.677 5.840 1.00 0.00 N ATOM 382 CA VAL B 5 14.060 3.003 6.392 1.00 0.00 C ATOM 383 C VAL B 5 12.618 3.182 6.840 1.00 0.00 C ATOM 384 O VAL B 5 11.684 2.751 6.163 1.00 0.00 O ATOM 385 CB VAL B 5 14.408 4.086 5.358 1.00 0.00 C ATOM 386 CG1 VAL B 5 14.300 5.468 5.977 1.00 0.00 C ATOM 387 CG2 VAL B 5 15.799 3.850 4.794 1.00 0.00 C ATOM 0 HA VAL B 5 14.714 3.107 7.257 1.00 0.00 H new ATOM 0 HB VAL B 5 13.693 4.028 4.537 1.00 0.00 H new ATOM 0 HG11 VAL B 5 14.550 6.222 5.230 1.00 0.00 H new ATOM 0 HG12 VAL B 5 13.281 5.630 6.329 1.00 0.00 H new ATOM 0 HG13 VAL B 5 14.991 5.546 6.816 1.00 0.00 H new ATOM 0 HG21 VAL B 5 16.032 4.625 4.063 1.00 0.00 H new ATOM 0 HG22 VAL B 5 16.530 3.882 5.602 1.00 0.00 H new ATOM 0 HG23 VAL B 5 15.835 2.873 4.311 1.00 0.00 H new ATOM 397 N THR B 6 12.444 3.822 7.989 1.00 0.00 N ATOM 398 CA THR B 6 11.122 4.065 8.544 1.00 0.00 C ATOM 399 C THR B 6 10.458 5.263 7.871 1.00 0.00 C ATOM 400 O THR B 6 11.122 6.061 7.210 1.00 0.00 O ATOM 401 CB THR B 6 11.195 4.316 10.060 1.00 0.00 C ATOM 402 OG1 THR B 6 12.143 3.427 10.658 1.00 0.00 O ATOM 403 CG2 THR B 6 9.836 4.114 10.707 1.00 0.00 C ATOM 0 H THR B 6 13.210 4.184 8.557 1.00 0.00 H new ATOM 0 HA THR B 6 10.526 3.172 8.358 1.00 0.00 H new ATOM 0 HB THR B 6 11.509 5.347 10.219 1.00 0.00 H new ATOM 0 HG1 THR B 6 12.185 3.594 11.623 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.912 4.297 11.779 1.00 0.00 H new ATOM 0 HG22 THR B 6 9.118 4.809 10.271 1.00 0.00 H new ATOM 0 HG23 THR B 6 9.500 3.091 10.537 1.00 0.00 H new ATOM 411 N LEU B 7 9.146 5.381 8.045 1.00 0.00 N ATOM 412 CA LEU B 7 8.394 6.484 7.455 1.00 0.00 C ATOM 413 C LEU B 7 7.430 7.099 8.463 1.00 0.00 C ATOM 414 O LEU B 7 7.392 6.707 9.629 1.00 0.00 O ATOM 415 CB LEU B 7 7.618 6.008 6.226 1.00 0.00 C ATOM 416 CG LEU B 7 8.355 6.146 4.892 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.512 5.577 3.760 1.00 0.00 C ATOM 418 CD2 LEU B 7 8.695 7.603 4.618 1.00 0.00 C ATOM 0 H LEU B 7 8.582 4.728 8.589 1.00 0.00 H new ATOM 0 HA LEU B 7 9.112 7.247 7.154 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.352 4.961 6.368 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.685 6.569 6.166 1.00 0.00 H new ATOM 0 HG LEU B 7 9.285 5.580 4.952 1.00 0.00 H new ATOM 0 HD11 LEU B 7 8.050 5.682 2.818 1.00 0.00 H new ATOM 0 HD12 LEU B 7 7.314 4.522 3.949 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.568 6.119 3.702 1.00 0.00 H new ATOM 0 HD21 LEU B 7 9.219 7.681 3.665 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.777 8.189 4.577 1.00 0.00 H new ATOM 0 HD23 LEU B 7 9.333 7.984 5.415 1.00 0.00 H new ATOM 430 N ASP B 8 6.651 8.066 7.994 1.00 0.00 N ATOM 431 CA ASP B 8 5.675 8.753 8.830 1.00 0.00 C ATOM 432 C ASP B 8 4.763 9.620 7.973 1.00 0.00 C ATOM 433 O ASP B 8 3.609 9.868 8.323 1.00 0.00 O ATOM 434 CB ASP B 8 6.380 9.612 9.881 1.00 0.00 C ATOM 435 CG ASP B 8 7.285 10.656 9.261 1.00 0.00 C ATOM 436 OD1 ASP B 8 6.804 11.776 8.995 1.00 0.00 O ATOM 437 OD2 ASP B 8 8.476 10.354 9.042 1.00 0.00 O ATOM 0 H ASP B 8 6.678 8.395 7.029 1.00 0.00 H new ATOM 0 HA ASP B 8 5.071 8.003 9.341 1.00 0.00 H new ATOM 0 HB2 ASP B 8 5.633 10.106 10.503 1.00 0.00 H new ATOM 0 HB3 ASP B 8 6.967 8.969 10.537 1.00 0.00 H new ATOM 442 N ASP B 9 5.294 10.079 6.842 1.00 0.00 N ATOM 443 CA ASP B 9 4.540 10.912 5.915 1.00 0.00 C ATOM 444 C ASP B 9 5.002 10.664 4.483 1.00 0.00 C ATOM 445 O ASP B 9 6.118 10.202 4.256 1.00 0.00 O ATOM 446 CB ASP B 9 4.709 12.389 6.274 1.00 0.00 C ATOM 447 CG ASP B 9 3.920 13.300 5.357 1.00 0.00 C ATOM 448 OD1 ASP B 9 2.747 13.590 5.673 1.00 0.00 O ATOM 449 OD2 ASP B 9 4.473 13.726 4.322 1.00 0.00 O ATOM 0 H ASP B 9 6.251 9.885 6.546 1.00 0.00 H new ATOM 0 HA ASP B 9 3.485 10.650 5.992 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.389 12.549 7.304 1.00 0.00 H new ATOM 0 HB3 ASP B 9 5.765 12.654 6.224 1.00 0.00 H new ATOM 454 N ALA B 10 4.139 10.974 3.522 1.00 0.00 N ATOM 455 CA ALA B 10 4.465 10.782 2.112 1.00 0.00 C ATOM 456 C ALA B 10 5.737 11.530 1.734 1.00 0.00 C ATOM 457 O ALA B 10 5.710 12.734 1.484 1.00 0.00 O ATOM 458 CB ALA B 10 3.307 11.231 1.235 1.00 0.00 C ATOM 0 H ALA B 10 3.210 11.359 3.692 1.00 0.00 H new ATOM 0 HA ALA B 10 4.639 9.718 1.949 1.00 0.00 H new ATOM 0 HB1 ALA B 10 3.565 11.082 0.187 1.00 0.00 H new ATOM 0 HB2 ALA B 10 2.419 10.646 1.477 1.00 0.00 H new ATOM 0 HB3 ALA B 10 3.105 12.287 1.412 1.00 0.00 H new ATOM 464 N ASP B 11 6.852 10.809 1.700 1.00 0.00 N ATOM 465 CA ASP B 11 8.137 11.405 1.354 1.00 0.00 C ATOM 466 C ASP B 11 8.982 10.441 0.528 1.00 0.00 C ATOM 467 O ASP B 11 9.296 10.712 -0.632 1.00 0.00 O ATOM 468 CB ASP B 11 8.890 11.790 2.626 1.00 0.00 C ATOM 469 CG ASP B 11 10.126 12.617 2.337 1.00 0.00 C ATOM 470 OD1 ASP B 11 10.016 13.859 2.309 1.00 0.00 O ATOM 471 OD2 ASP B 11 11.205 12.022 2.140 1.00 0.00 O ATOM 0 H ASP B 11 6.892 9.811 1.908 1.00 0.00 H new ATOM 0 HA ASP B 11 7.949 12.297 0.756 1.00 0.00 H new ATOM 0 HB2 ASP B 11 8.226 12.352 3.282 1.00 0.00 H new ATOM 0 HB3 ASP B 11 9.178 10.886 3.162 1.00 0.00 H new ATOM 476 N ASP B 12 9.348 9.316 1.133 1.00 0.00 N ATOM 477 CA ASP B 12 10.162 8.311 0.458 1.00 0.00 C ATOM 478 C ASP B 12 9.449 7.765 -0.771 1.00 0.00 C ATOM 479 O ASP B 12 9.853 8.029 -1.904 1.00 0.00 O ATOM 480 CB ASP B 12 10.497 7.170 1.418 1.00 0.00 C ATOM 481 CG ASP B 12 11.360 6.107 0.770 1.00 0.00 C ATOM 482 OD1 ASP B 12 12.601 6.227 0.841 1.00 0.00 O ATOM 483 OD2 ASP B 12 10.798 5.155 0.193 1.00 0.00 O ATOM 0 H ASP B 12 9.093 9.077 2.091 1.00 0.00 H new ATOM 0 HA ASP B 12 11.087 8.788 0.133 1.00 0.00 H new ATOM 0 HB2 ASP B 12 11.013 7.572 2.290 1.00 0.00 H new ATOM 0 HB3 ASP B 12 9.573 6.716 1.776 1.00 0.00 H new ATOM 488 N CYS B 13 8.386 7.001 -0.544 1.00 0.00 N ATOM 489 CA CYS B 13 7.620 6.418 -1.639 1.00 0.00 C ATOM 490 C CYS B 13 6.751 7.468 -2.319 1.00 0.00 C ATOM 491 O CYS B 13 5.930 8.120 -1.677 1.00 0.00 O ATOM 492 CB CYS B 13 6.751 5.265 -1.138 1.00 0.00 C ATOM 493 SG CYS B 13 6.175 5.449 0.583 1.00 0.00 S ATOM 0 H CYS B 13 8.036 6.771 0.386 1.00 0.00 H new ATOM 0 HA CYS B 13 8.330 6.031 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS B 13 5.883 5.170 -1.791 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.316 4.337 -1.222 1.00 0.00 H new ATOM 498 N SER B 14 6.940 7.612 -3.627 1.00 0.00 N ATOM 499 CA SER B 14 6.185 8.580 -4.416 1.00 0.00 C ATOM 500 C SER B 14 6.598 8.559 -5.893 1.00 0.00 C ATOM 501 O SER B 14 5.740 8.647 -6.770 1.00 0.00 O ATOM 502 CB SER B 14 6.344 9.993 -3.844 1.00 0.00 C ATOM 503 OG SER B 14 7.692 10.276 -3.521 1.00 0.00 O ATOM 0 H SER B 14 7.614 7.067 -4.166 1.00 0.00 H new ATOM 0 HA SER B 14 5.136 8.291 -4.358 1.00 0.00 H new ATOM 0 HB2 SER B 14 5.982 10.722 -4.569 1.00 0.00 H new ATOM 0 HB3 SER B 14 5.726 10.097 -2.952 1.00 0.00 H new ATOM 0 HG SER B 14 7.758 11.185 -3.160 1.00 0.00 H new ATOM 509 N PRO B 15 7.910 8.450 -6.206 1.00 0.00 N ATOM 510 CA PRO B 15 8.378 8.425 -7.592 1.00 0.00 C ATOM 511 C PRO B 15 8.268 7.049 -8.237 1.00 0.00 C ATOM 512 O PRO B 15 8.890 6.788 -9.266 1.00 0.00 O ATOM 513 CB PRO B 15 9.838 8.829 -7.464 1.00 0.00 C ATOM 514 CG PRO B 15 10.255 8.293 -6.141 1.00 0.00 C ATOM 515 CD PRO B 15 9.038 8.362 -5.253 1.00 0.00 C ATOM 0 HA PRO B 15 7.781 9.076 -8.231 1.00 0.00 H new ATOM 0 HB2 PRO B 15 10.439 8.409 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO B 15 9.956 9.912 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO B 15 10.612 7.267 -6.232 1.00 0.00 H new ATOM 0 HG3 PRO B 15 11.074 8.880 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO B 15 8.956 7.481 -4.617 1.00 0.00 H new ATOM 0 HD3 PRO B 15 9.073 9.229 -4.593 1.00 0.00 H new ATOM 523 N LEU B 16 7.468 6.181 -7.628 1.00 0.00 N ATOM 524 CA LEU B 16 7.260 4.832 -8.135 1.00 0.00 C ATOM 525 C LEU B 16 8.560 4.056 -8.182 1.00 0.00 C ATOM 526 O LEU B 16 8.882 3.292 -7.275 1.00 0.00 O ATOM 527 CB LEU B 16 6.638 4.861 -9.535 1.00 0.00 C ATOM 528 CG LEU B 16 5.336 5.635 -9.657 1.00 0.00 C ATOM 529 CD1 LEU B 16 5.609 7.124 -9.729 1.00 0.00 C ATOM 530 CD2 LEU B 16 4.549 5.170 -10.872 1.00 0.00 C ATOM 0 H LEU B 16 6.949 6.391 -6.775 1.00 0.00 H new ATOM 0 HA LEU B 16 6.575 4.334 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU B 16 7.362 5.292 -10.226 1.00 0.00 H new ATOM 0 HB3 LEU B 16 6.462 3.835 -9.856 1.00 0.00 H new ATOM 0 HG LEU B 16 4.734 5.441 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU B 16 4.666 7.663 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.127 7.443 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.231 7.338 -10.598 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.620 5.736 -10.942 1.00 0.00 H new ATOM 0 HD22 LEU B 16 5.141 5.331 -11.773 1.00 0.00 H new ATOM 0 HD23 LEU B 16 4.321 4.109 -10.773 1.00 0.00 H new ATOM 542 N LYS B 17 9.281 4.279 -9.262 1.00 0.00 N ATOM 543 CA LYS B 17 10.569 3.633 -9.518 1.00 0.00 C ATOM 544 C LYS B 17 11.267 3.213 -8.228 1.00 0.00 C ATOM 545 O LYS B 17 11.601 4.047 -7.386 1.00 0.00 O ATOM 546 CB LYS B 17 11.472 4.573 -10.314 1.00 0.00 C ATOM 547 CG LYS B 17 10.962 4.859 -11.718 1.00 0.00 C ATOM 548 CD LYS B 17 11.535 6.154 -12.267 1.00 0.00 C ATOM 549 CE LYS B 17 13.038 6.061 -12.472 1.00 0.00 C ATOM 550 NZ LYS B 17 13.601 7.323 -13.024 1.00 0.00 N ATOM 0 H LYS B 17 8.992 4.921 -10.001 1.00 0.00 H new ATOM 0 HA LYS B 17 10.374 2.729 -10.095 1.00 0.00 H new ATOM 0 HB2 LYS B 17 11.571 5.514 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS B 17 12.469 4.137 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS B 17 11.229 4.034 -12.378 1.00 0.00 H new ATOM 0 HG3 LYS B 17 9.874 4.918 -11.706 1.00 0.00 H new ATOM 0 HD2 LYS B 17 11.052 6.393 -13.215 1.00 0.00 H new ATOM 0 HD3 LYS B 17 11.311 6.971 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS B 17 13.521 5.833 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS B 17 13.262 5.237 -13.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 14.628 7.219 -13.149 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 13.159 7.528 -13.943 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 13.410 8.105 -12.366 1.00 0.00 H new ATOM 564 N LEU B 18 11.484 1.908 -8.084 1.00 0.00 N ATOM 565 CA LEU B 18 12.139 1.356 -6.905 1.00 0.00 C ATOM 566 C LEU B 18 12.921 0.097 -7.274 1.00 0.00 C ATOM 567 O LEU B 18 13.254 -0.114 -8.442 1.00 0.00 O ATOM 568 CB LEU B 18 11.099 1.032 -5.829 1.00 0.00 C ATOM 569 CG LEU B 18 11.394 1.594 -4.445 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.500 3.110 -4.490 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.327 1.161 -3.453 1.00 0.00 C ATOM 0 H LEU B 18 11.213 1.210 -8.776 1.00 0.00 H new ATOM 0 HA LEU B 18 12.835 2.097 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU B 18 10.131 1.411 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU B 18 11.008 -0.051 -5.751 1.00 0.00 H new ATOM 0 HG LEU B 18 12.353 1.196 -4.113 1.00 0.00 H new ATOM 0 HD11 LEU B 18 11.711 3.490 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU B 18 12.305 3.399 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.560 3.530 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.556 1.573 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.354 1.527 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.305 0.073 -3.394 1.00 0.00 H new ATOM 583 N THR B 19 13.215 -0.736 -6.280 1.00 0.00 N ATOM 584 CA THR B 19 13.957 -1.967 -6.513 1.00 0.00 C ATOM 585 C THR B 19 13.666 -2.998 -5.427 1.00 0.00 C ATOM 586 O THR B 19 13.322 -2.647 -4.298 1.00 0.00 O ATOM 587 CB THR B 19 15.473 -1.711 -6.573 1.00 0.00 C ATOM 588 OG1 THR B 19 15.748 -0.588 -7.417 1.00 0.00 O ATOM 589 CG2 THR B 19 16.206 -2.933 -7.100 1.00 0.00 C ATOM 0 H THR B 19 12.950 -0.580 -5.307 1.00 0.00 H new ATOM 0 HA THR B 19 13.627 -2.356 -7.477 1.00 0.00 H new ATOM 0 HB THR B 19 15.823 -1.501 -5.562 1.00 0.00 H new ATOM 0 HG1 THR B 19 16.715 -0.431 -7.448 1.00 0.00 H new ATOM 0 HG21 THR B 19 17.276 -2.729 -7.134 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.019 -3.781 -6.442 1.00 0.00 H new ATOM 0 HG23 THR B 19 15.849 -3.167 -8.103 1.00 0.00 H new ATOM 597 N GLN B 20 13.809 -4.268 -5.779 1.00 0.00 N ATOM 598 CA GLN B 20 13.563 -5.362 -4.847 1.00 0.00 C ATOM 599 C GLN B 20 14.518 -5.302 -3.660 1.00 0.00 C ATOM 600 O GLN B 20 15.506 -4.568 -3.678 1.00 0.00 O ATOM 601 CB GLN B 20 13.707 -6.707 -5.559 1.00 0.00 C ATOM 602 CG GLN B 20 12.674 -6.933 -6.650 1.00 0.00 C ATOM 603 CD GLN B 20 12.903 -8.223 -7.411 1.00 0.00 C ATOM 604 OE1 GLN B 20 11.824 -8.814 -7.912 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 14.036 -8.683 -7.550 1.00 0.00 N flip ATOM 0 H GLN B 20 14.096 -4.569 -6.710 1.00 0.00 H new ATOM 0 HA GLN B 20 12.544 -5.259 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.704 -6.772 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.628 -7.508 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.679 -6.950 -6.205 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.698 -6.095 -7.347 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.837 -8.196 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.174 -9.551 -8.067 1.00 0.00 H new ATOM 614 N GLY B 21 14.210 -6.080 -2.626 1.00 0.00 N ATOM 615 CA GLY B 21 15.042 -6.109 -1.437 1.00 0.00 C ATOM 616 C GLY B 21 14.753 -4.953 -0.501 1.00 0.00 C ATOM 617 O GLY B 21 15.034 -5.026 0.695 1.00 0.00 O ATOM 0 H GLY B 21 13.395 -6.693 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.883 -7.049 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY B 21 16.091 -6.082 -1.730 1.00 0.00 H new ATOM 621 N GLN B 22 14.190 -3.884 -1.051 1.00 0.00 N ATOM 622 CA GLN B 22 13.861 -2.701 -0.275 1.00 0.00 C ATOM 623 C GLN B 22 12.682 -2.957 0.656 1.00 0.00 C ATOM 624 O GLN B 22 11.557 -3.160 0.207 1.00 0.00 O ATOM 625 CB GLN B 22 13.531 -1.545 -1.217 1.00 0.00 C ATOM 626 CG GLN B 22 14.337 -0.291 -0.942 1.00 0.00 C ATOM 627 CD GLN B 22 13.917 0.403 0.338 1.00 0.00 C ATOM 628 OE1 GLN B 22 13.056 1.282 0.327 1.00 0.00 O ATOM 629 NE2 GLN B 22 14.521 0.008 1.452 1.00 0.00 N ATOM 0 H GLN B 22 13.951 -3.815 -2.040 1.00 0.00 H new ATOM 0 HA GLN B 22 14.726 -2.445 0.337 1.00 0.00 H new ATOM 0 HB2 GLN B 22 13.708 -1.863 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN B 22 12.470 -1.311 -1.134 1.00 0.00 H new ATOM 0 HG2 GLN B 22 15.394 -0.549 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN B 22 14.225 0.399 -1.778 1.00 0.00 H new ATOM 0 HE21 GLN B 22 15.230 -0.725 1.416 1.00 0.00 H new ATOM 0 HE22 GLN B 22 14.276 0.437 2.344 1.00 0.00 H new ATOM 638 N GLU B 23 12.951 -2.958 1.956 1.00 0.00 N ATOM 639 CA GLU B 23 11.911 -3.164 2.948 1.00 0.00 C ATOM 640 C GLU B 23 11.512 -1.827 3.558 1.00 0.00 C ATOM 641 O GLU B 23 12.271 -0.862 3.493 1.00 0.00 O ATOM 642 CB GLU B 23 12.386 -4.124 4.033 1.00 0.00 C ATOM 643 CG GLU B 23 13.889 -4.265 4.104 1.00 0.00 C ATOM 644 CD GLU B 23 14.335 -5.283 5.135 1.00 0.00 C ATOM 645 OE1 GLU B 23 14.411 -4.926 6.328 1.00 0.00 O ATOM 646 OE2 GLU B 23 14.608 -6.437 4.747 1.00 0.00 O ATOM 0 H GLU B 23 13.883 -2.818 2.345 1.00 0.00 H new ATOM 0 HA GLU B 23 11.042 -3.607 2.461 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.016 -3.779 4.999 1.00 0.00 H new ATOM 0 HB3 GLU B 23 11.946 -5.105 3.856 1.00 0.00 H new ATOM 0 HG2 GLU B 23 14.269 -4.556 3.125 1.00 0.00 H new ATOM 0 HG3 GLU B 23 14.329 -3.297 4.342 1.00 0.00 H new ATOM 653 N LEU B 24 10.328 -1.769 4.150 1.00 0.00 N ATOM 654 CA LEU B 24 9.852 -0.528 4.748 1.00 0.00 C ATOM 655 C LEU B 24 8.858 -0.787 5.874 1.00 0.00 C ATOM 656 O LEU B 24 7.996 -1.659 5.774 1.00 0.00 O ATOM 657 CB LEU B 24 9.212 0.353 3.676 1.00 0.00 C ATOM 658 CG LEU B 24 9.117 1.839 4.027 1.00 0.00 C ATOM 659 CD1 LEU B 24 9.109 2.680 2.762 1.00 0.00 C ATOM 660 CD2 LEU B 24 7.881 2.116 4.869 1.00 0.00 C ATOM 0 H LEU B 24 9.685 -2.557 4.229 1.00 0.00 H new ATOM 0 HA LEU B 24 10.712 -0.014 5.179 1.00 0.00 H new ATOM 0 HB2 LEU B 24 9.784 0.250 2.754 1.00 0.00 H new ATOM 0 HB3 LEU B 24 8.209 -0.021 3.472 1.00 0.00 H new ATOM 0 HG LEU B 24 9.993 2.112 4.616 1.00 0.00 H new ATOM 0 HD11 LEU B 24 9.041 3.735 3.027 1.00 0.00 H new ATOM 0 HD12 LEU B 24 10.028 2.505 2.203 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.252 2.404 2.147 1.00 0.00 H new ATOM 0 HD21 LEU B 24 7.834 3.179 5.107 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.989 1.829 4.312 1.00 0.00 H new ATOM 0 HD23 LEU B 24 7.933 1.539 5.793 1.00 0.00 H new ATOM 672 N VAL B 25 8.994 -0.015 6.950 1.00 0.00 N ATOM 673 CA VAL B 25 8.110 -0.134 8.100 1.00 0.00 C ATOM 674 C VAL B 25 7.324 1.158 8.302 1.00 0.00 C ATOM 675 O VAL B 25 7.909 2.220 8.514 1.00 0.00 O ATOM 676 CB VAL B 25 8.892 -0.456 9.388 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.946 -0.609 10.569 1.00 0.00 C ATOM 678 CG2 VAL B 25 9.727 -1.712 9.199 1.00 0.00 C ATOM 0 H VAL B 25 9.713 0.702 7.046 1.00 0.00 H new ATOM 0 HA VAL B 25 7.424 -0.957 7.896 1.00 0.00 H new ATOM 0 HB VAL B 25 9.564 0.375 9.601 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.520 -0.836 11.468 1.00 0.00 H new ATOM 0 HG12 VAL B 25 7.394 0.319 10.716 1.00 0.00 H new ATOM 0 HG13 VAL B 25 7.245 -1.420 10.371 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.274 -1.927 10.117 1.00 0.00 H new ATOM 0 HG22 VAL B 25 9.073 -2.551 8.961 1.00 0.00 H new ATOM 0 HG23 VAL B 25 10.434 -1.560 8.383 1.00 0.00 H new ATOM 688 N LEU B 26 6.002 1.062 8.234 1.00 0.00 N ATOM 689 CA LEU B 26 5.147 2.234 8.393 1.00 0.00 C ATOM 690 C LEU B 26 4.604 2.348 9.816 1.00 0.00 C ATOM 691 O LEU B 26 4.742 1.433 10.624 1.00 0.00 O ATOM 692 CB LEU B 26 3.988 2.188 7.395 1.00 0.00 C ATOM 693 CG LEU B 26 4.367 2.496 5.945 1.00 0.00 C ATOM 694 CD1 LEU B 26 3.221 2.150 5.010 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.759 3.957 5.797 1.00 0.00 C ATOM 0 H LEU B 26 5.499 0.190 8.071 1.00 0.00 H new ATOM 0 HA LEU B 26 5.759 3.114 8.195 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.535 1.197 7.433 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.226 2.899 7.714 1.00 0.00 H new ATOM 0 HG LEU B 26 5.226 1.882 5.674 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.508 2.376 3.983 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.988 1.089 5.097 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.343 2.737 5.278 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.026 4.159 4.760 1.00 0.00 H new ATOM 0 HD22 LEU B 26 3.920 4.590 6.086 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.613 4.171 6.439 1.00 0.00 H new ATOM 707 N THR B 27 3.985 3.489 10.102 1.00 0.00 N ATOM 708 CA THR B 27 3.411 3.755 11.416 1.00 0.00 C ATOM 709 C THR B 27 2.023 4.374 11.270 1.00 0.00 C ATOM 710 O THR B 27 1.892 5.588 11.118 1.00 0.00 O ATOM 711 CB THR B 27 4.311 4.706 12.230 1.00 0.00 C ATOM 712 OG1 THR B 27 5.616 4.135 12.376 1.00 0.00 O ATOM 713 CG2 THR B 27 3.724 4.985 13.603 1.00 0.00 C ATOM 0 H THR B 27 3.868 4.251 9.434 1.00 0.00 H new ATOM 0 HA THR B 27 3.334 2.806 11.946 1.00 0.00 H new ATOM 0 HB THR B 27 4.378 5.649 11.688 1.00 0.00 H new ATOM 0 HG1 THR B 27 6.184 4.744 12.893 1.00 0.00 H new ATOM 0 HG21 THR B 27 4.383 5.659 14.151 1.00 0.00 H new ATOM 0 HG22 THR B 27 2.743 5.448 13.492 1.00 0.00 H new ATOM 0 HG23 THR B 27 3.624 4.049 14.153 1.00 0.00 H new ATOM 721 N LEU B 28 0.990 3.535 11.313 1.00 0.00 N ATOM 722 CA LEU B 28 -0.385 4.012 11.161 1.00 0.00 C ATOM 723 C LEU B 28 -1.381 3.200 11.997 1.00 0.00 C ATOM 724 O LEU B 28 -2.148 3.778 12.764 1.00 0.00 O ATOM 725 CB LEU B 28 -0.800 3.976 9.687 1.00 0.00 C ATOM 726 CG LEU B 28 0.124 4.726 8.724 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.102 4.076 7.352 1.00 0.00 C ATOM 728 CD2 LEU B 28 -0.270 6.188 8.634 1.00 0.00 C ATOM 0 H LEU B 28 1.076 2.528 11.451 1.00 0.00 H new ATOM 0 HA LEU B 28 -0.407 5.039 11.527 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.859 2.935 9.370 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.803 4.393 9.600 1.00 0.00 H new ATOM 0 HG LEU B 28 1.142 4.673 9.111 1.00 0.00 H new ATOM 0 HD11 LEU B 28 0.764 4.622 6.680 1.00 0.00 H new ATOM 0 HD12 LEU B 28 0.439 3.043 7.433 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.913 4.096 6.956 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.399 6.703 7.945 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -1.295 6.267 8.272 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -0.197 6.646 9.621 1.00 0.00 H new ATOM 740 N PRO B 29 -1.393 1.849 11.858 1.00 0.00 N ATOM 741 CA PRO B 29 -2.310 0.976 12.592 1.00 0.00 C ATOM 742 C PRO B 29 -2.691 1.513 13.967 1.00 0.00 C ATOM 743 O PRO B 29 -1.852 2.018 14.707 1.00 0.00 O ATOM 744 CB PRO B 29 -1.501 -0.307 12.708 1.00 0.00 C ATOM 745 CG PRO B 29 -0.736 -0.373 11.428 1.00 0.00 C ATOM 746 CD PRO B 29 -0.509 1.055 10.981 1.00 0.00 C ATOM 0 HA PRO B 29 -3.270 0.865 12.088 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.834 -0.281 13.570 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -2.147 -1.176 12.831 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.213 -0.889 11.571 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -1.291 -0.931 10.674 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.535 1.348 11.096 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.764 1.190 9.930 1.00 0.00 H new ATOM 754 N SER B 30 -3.971 1.396 14.303 1.00 0.00 N ATOM 755 CA SER B 30 -4.469 1.877 15.583 1.00 0.00 C ATOM 756 C SER B 30 -5.583 0.978 16.104 1.00 0.00 C ATOM 757 O SER B 30 -6.600 0.790 15.435 1.00 0.00 O ATOM 758 CB SER B 30 -4.985 3.308 15.438 1.00 0.00 C ATOM 759 OG SER B 30 -5.254 3.887 16.702 1.00 0.00 O ATOM 0 H SER B 30 -4.681 0.972 13.706 1.00 0.00 H new ATOM 0 HA SER B 30 -3.647 1.859 16.298 1.00 0.00 H new ATOM 0 HB2 SER B 30 -4.247 3.911 14.909 1.00 0.00 H new ATOM 0 HB3 SER B 30 -5.892 3.311 14.834 1.00 0.00 H new ATOM 0 HG SER B 30 -5.581 4.803 16.579 1.00 0.00 H new ATOM 765 N ASN B 31 -5.391 0.424 17.297 1.00 0.00 N ATOM 766 CA ASN B 31 -6.394 -0.448 17.895 1.00 0.00 C ATOM 767 C ASN B 31 -6.590 -0.137 19.380 1.00 0.00 C ATOM 768 O ASN B 31 -6.546 -1.038 20.216 1.00 0.00 O ATOM 769 CB ASN B 31 -5.999 -1.915 17.715 1.00 0.00 C ATOM 770 CG ASN B 31 -5.228 -2.155 16.433 1.00 0.00 C ATOM 771 OD1 ASN B 31 -5.813 -2.402 15.378 1.00 0.00 O ATOM 772 ND2 ASN B 31 -3.906 -2.083 16.515 1.00 0.00 N ATOM 0 H ASN B 31 -4.555 0.563 17.865 1.00 0.00 H new ATOM 0 HA ASN B 31 -7.339 -0.266 17.384 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -5.393 -2.232 18.564 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -6.897 -2.533 17.716 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.334 -2.235 15.684 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.461 -1.876 17.409 1.00 0.00 H new ATOM 779 N PRO B 32 -6.813 1.144 19.730 1.00 0.00 N ATOM 780 CA PRO B 32 -7.027 1.555 21.117 1.00 0.00 C ATOM 781 C PRO B 32 -8.465 1.321 21.555 1.00 0.00 C ATOM 782 O PRO B 32 -9.372 2.049 21.152 1.00 0.00 O ATOM 783 CB PRO B 32 -6.706 3.044 21.077 1.00 0.00 C ATOM 784 CG PRO B 32 -7.138 3.466 19.719 1.00 0.00 C ATOM 785 CD PRO B 32 -6.878 2.293 18.807 1.00 0.00 C ATOM 0 HA PRO B 32 -6.419 0.994 21.827 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -7.242 3.589 21.854 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -5.643 3.228 21.233 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -8.194 3.736 19.714 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -6.583 4.344 19.390 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -7.674 2.172 18.072 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.948 2.415 18.252 1.00 0.00 H new ATOM 793 N THR B 33 -8.671 0.297 22.376 1.00 0.00 N ATOM 794 CA THR B 33 -10.006 -0.046 22.851 1.00 0.00 C ATOM 795 C THR B 33 -10.890 -0.455 21.676 1.00 0.00 C ATOM 796 O THR B 33 -12.098 -0.628 21.819 1.00 0.00 O ATOM 797 CB THR B 33 -10.660 1.132 23.605 1.00 0.00 C ATOM 798 OG1 THR B 33 -9.704 1.746 24.474 1.00 0.00 O ATOM 799 CG2 THR B 33 -11.855 0.661 24.422 1.00 0.00 C ATOM 0 H THR B 33 -7.930 -0.310 22.726 1.00 0.00 H new ATOM 0 HA THR B 33 -9.906 -0.881 23.545 1.00 0.00 H new ATOM 0 HB THR B 33 -11.005 1.856 22.867 1.00 0.00 H new ATOM 0 HG1 THR B 33 -10.125 2.493 24.948 1.00 0.00 H new ATOM 0 HG21 THR B 33 -12.297 1.510 24.943 1.00 0.00 H new ATOM 0 HG22 THR B 33 -12.597 0.216 23.759 1.00 0.00 H new ATOM 0 HG23 THR B 33 -11.528 -0.081 25.150 1.00 0.00 H new ATOM 807 N THR B 34 -10.257 -0.609 20.510 1.00 0.00 N ATOM 808 CA THR B 34 -10.941 -0.997 19.279 1.00 0.00 C ATOM 809 C THR B 34 -12.064 -0.032 18.921 1.00 0.00 C ATOM 810 O THR B 34 -12.513 0.761 19.750 1.00 0.00 O ATOM 811 CB THR B 34 -11.500 -2.431 19.357 1.00 0.00 C ATOM 812 OG1 THR B 34 -12.526 -2.516 20.350 1.00 0.00 O ATOM 813 CG2 THR B 34 -10.391 -3.420 19.676 1.00 0.00 C ATOM 0 H THR B 34 -9.253 -0.467 20.395 1.00 0.00 H new ATOM 0 HA THR B 34 -10.187 -0.959 18.493 1.00 0.00 H new ATOM 0 HB THR B 34 -11.927 -2.682 18.386 1.00 0.00 H new ATOM 0 HG1 THR B 34 -12.742 -1.617 20.675 1.00 0.00 H new ATOM 0 HG21 THR B 34 -10.805 -4.427 19.727 1.00 0.00 H new ATOM 0 HG22 THR B 34 -9.631 -3.379 18.895 1.00 0.00 H new ATOM 0 HG23 THR B 34 -9.940 -3.164 20.635 1.00 0.00 H new ATOM 821 N GLY B 35 -12.508 -0.101 17.672 1.00 0.00 N ATOM 822 CA GLY B 35 -13.565 0.771 17.205 1.00 0.00 C ATOM 823 C GLY B 35 -13.165 1.511 15.947 1.00 0.00 C ATOM 824 O GLY B 35 -14.010 1.860 15.126 1.00 0.00 O ATOM 0 H GLY B 35 -12.151 -0.750 16.971 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -14.463 0.184 17.012 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.816 1.489 17.986 1.00 0.00 H new ATOM 828 N PHE B 36 -11.865 1.747 15.801 1.00 0.00 N ATOM 829 CA PHE B 36 -11.330 2.438 14.643 1.00 0.00 C ATOM 830 C PHE B 36 -10.017 1.801 14.205 1.00 0.00 C ATOM 831 O PHE B 36 -9.046 1.773 14.961 1.00 0.00 O ATOM 832 CB PHE B 36 -11.107 3.910 14.969 1.00 0.00 C ATOM 833 CG PHE B 36 -12.277 4.788 14.639 1.00 0.00 C ATOM 834 CD1 PHE B 36 -13.389 4.823 15.466 1.00 0.00 C ATOM 835 CD2 PHE B 36 -12.268 5.579 13.501 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.469 5.630 15.165 1.00 0.00 C ATOM 837 CE2 PHE B 36 -13.345 6.389 13.195 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.446 6.413 14.028 1.00 0.00 C ATOM 0 H PHE B 36 -11.159 1.464 16.481 1.00 0.00 H new ATOM 0 HA PHE B 36 -12.049 2.358 13.828 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.880 4.007 16.031 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.233 4.265 14.423 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -13.411 4.212 16.356 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -11.410 5.562 12.846 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -15.329 5.648 15.818 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.326 7.002 12.306 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.289 7.044 13.790 1.00 0.00 H new ATOM 848 N ARG B 37 -9.996 1.292 12.983 1.00 0.00 N ATOM 849 CA ARG B 37 -8.807 0.645 12.441 1.00 0.00 C ATOM 850 C ARG B 37 -8.396 1.276 11.116 1.00 0.00 C ATOM 851 O ARG B 37 -8.845 2.368 10.771 1.00 0.00 O ATOM 852 CB ARG B 37 -9.065 -0.844 12.218 1.00 0.00 C ATOM 853 CG ARG B 37 -10.108 -1.436 13.153 1.00 0.00 C ATOM 854 CD ARG B 37 -9.573 -1.593 14.566 1.00 0.00 C ATOM 855 NE ARG B 37 -8.562 -2.640 14.652 1.00 0.00 N ATOM 856 CZ ARG B 37 -8.514 -3.540 15.629 1.00 0.00 C ATOM 857 NH1 ARG B 37 -9.416 -3.518 16.601 1.00 0.00 N ATOM 858 NH2 ARG B 37 -7.566 -4.465 15.634 1.00 0.00 N ATOM 0 H ARG B 37 -10.791 1.314 12.344 1.00 0.00 H new ATOM 0 HA ARG B 37 -8.003 0.777 13.165 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.387 -0.997 11.188 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -8.129 -1.388 12.343 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -10.990 -0.795 13.167 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -10.426 -2.407 12.775 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -9.145 -0.647 14.899 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -10.396 -1.827 15.242 1.00 0.00 H new ATOM 0 HE ARG B 37 -7.852 -2.684 13.921 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -10.149 -2.809 16.600 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -9.376 -4.210 17.349 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -6.871 -4.487 14.887 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.531 -5.155 16.384 1.00 0.00 H new ATOM 872 N TRP B 38 -7.542 0.574 10.382 1.00 0.00 N ATOM 873 CA TRP B 38 -7.076 1.047 9.085 1.00 0.00 C ATOM 874 C TRP B 38 -7.424 0.038 7.996 1.00 0.00 C ATOM 875 O TRP B 38 -7.565 -1.155 8.267 1.00 0.00 O ATOM 876 CB TRP B 38 -5.566 1.292 9.104 1.00 0.00 C ATOM 877 CG TRP B 38 -5.153 2.472 9.926 1.00 0.00 C ATOM 878 CD1 TRP B 38 -5.007 2.512 11.282 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.827 3.782 9.449 1.00 0.00 C ATOM 880 NE1 TRP B 38 -4.606 3.764 11.676 1.00 0.00 N ATOM 881 CE2 TRP B 38 -4.491 4.563 10.569 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.785 4.370 8.182 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -4.119 5.899 10.463 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.416 5.699 8.077 1.00 0.00 C ATOM 885 CH2 TRP B 38 -4.088 6.450 9.212 1.00 0.00 C ATOM 0 H TRP B 38 -7.157 -0.328 10.664 1.00 0.00 H new ATOM 0 HA TRP B 38 -7.577 1.991 8.870 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -5.068 0.402 9.489 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -5.218 1.435 8.081 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -5.182 1.680 11.948 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -4.423 4.053 12.637 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -5.036 3.798 7.301 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.864 6.480 11.337 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.380 6.165 7.103 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.805 7.486 9.097 1.00 0.00 H new ATOM 896 N GLU B 39 -7.561 0.519 6.766 1.00 0.00 N ATOM 897 CA GLU B 39 -7.895 -0.347 5.641 1.00 0.00 C ATOM 898 C GLU B 39 -6.906 -0.166 4.496 1.00 0.00 C ATOM 899 O GLU B 39 -6.508 0.953 4.177 1.00 0.00 O ATOM 900 CB GLU B 39 -9.315 -0.055 5.154 1.00 0.00 C ATOM 901 CG GLU B 39 -9.763 -0.952 4.012 1.00 0.00 C ATOM 902 CD GLU B 39 -9.787 -2.418 4.397 1.00 0.00 C ATOM 903 OE1 GLU B 39 -8.761 -3.100 4.197 1.00 0.00 O ATOM 904 OE2 GLU B 39 -10.831 -2.883 4.897 1.00 0.00 O ATOM 0 H GLU B 39 -7.446 1.503 6.522 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.837 -1.381 5.982 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.007 -0.170 5.988 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.373 0.985 4.833 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.758 -0.649 3.686 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.094 -0.814 3.163 1.00 0.00 H new ATOM 911 N LEU B 40 -6.514 -1.278 3.882 1.00 0.00 N ATOM 912 CA LEU B 40 -5.572 -1.247 2.770 1.00 0.00 C ATOM 913 C LEU B 40 -6.310 -1.234 1.436 1.00 0.00 C ATOM 914 O LEU B 40 -6.839 -2.256 1.001 1.00 0.00 O ATOM 915 CB LEU B 40 -4.636 -2.454 2.827 1.00 0.00 C ATOM 916 CG LEU B 40 -3.763 -2.541 4.080 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.980 -3.843 4.090 1.00 0.00 C ATOM 918 CD2 LEU B 40 -2.821 -1.351 4.160 1.00 0.00 C ATOM 0 H LEU B 40 -6.835 -2.212 4.136 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.983 -0.334 2.855 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.235 -3.362 2.757 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -3.987 -2.432 1.952 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.413 -2.521 4.955 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.364 -3.890 4.988 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.673 -4.684 4.081 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.341 -3.890 3.208 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.209 -1.431 5.058 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.176 -1.338 3.281 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.402 -0.429 4.198 1.00 0.00 H new ATOM 930 N ARG B 41 -6.345 -0.074 0.795 1.00 0.00 N ATOM 931 CA ARG B 41 -7.016 0.063 -0.490 1.00 0.00 C ATOM 932 C ARG B 41 -6.166 -0.536 -1.605 1.00 0.00 C ATOM 933 O ARG B 41 -6.666 -0.837 -2.689 1.00 0.00 O ATOM 934 CB ARG B 41 -7.307 1.535 -0.787 1.00 0.00 C ATOM 935 CG ARG B 41 -8.240 2.188 0.220 1.00 0.00 C ATOM 936 CD ARG B 41 -9.620 1.549 0.200 1.00 0.00 C ATOM 937 NE ARG B 41 -10.251 1.652 -1.111 1.00 0.00 N ATOM 938 CZ ARG B 41 -11.348 0.986 -1.454 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.931 0.173 -0.586 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.862 1.135 -2.667 1.00 0.00 N ATOM 0 H ARG B 41 -5.917 0.784 1.143 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.960 -0.479 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.366 2.085 -0.808 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -7.746 1.616 -1.782 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -7.814 2.104 1.220 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.328 3.252 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -9.537 0.499 0.481 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.253 2.030 0.946 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.826 2.270 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.538 0.057 0.348 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.773 -0.337 -0.852 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -11.415 1.761 -3.337 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -12.704 0.624 -2.930 1.00 0.00 H new ATOM 954 N ASN B 42 -4.877 -0.712 -1.325 1.00 0.00 N ATOM 955 CA ASN B 42 -3.950 -1.277 -2.297 1.00 0.00 C ATOM 956 C ASN B 42 -2.572 -1.474 -1.672 1.00 0.00 C ATOM 957 O ASN B 42 -1.715 -0.600 -1.765 1.00 0.00 O ATOM 958 CB ASN B 42 -3.839 -0.365 -3.522 1.00 0.00 C ATOM 959 CG ASN B 42 -3.281 -1.088 -4.735 1.00 0.00 C ATOM 960 OD1 ASN B 42 -4.028 -1.667 -5.522 1.00 0.00 O ATOM 961 ND2 ASN B 42 -1.964 -1.055 -4.891 1.00 0.00 N ATOM 0 H ASN B 42 -4.452 -0.470 -0.430 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.335 -2.247 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.823 0.036 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.199 0.484 -3.282 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -1.533 -1.522 -5.689 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -1.382 -0.562 -4.213 1.00 0.00 H new ATOM 968 N PRO B 43 -2.341 -2.628 -1.019 1.00 0.00 N ATOM 969 CA PRO B 43 -1.059 -2.927 -0.374 1.00 0.00 C ATOM 970 C PRO B 43 0.045 -3.249 -1.378 1.00 0.00 C ATOM 971 O PRO B 43 1.157 -3.604 -0.993 1.00 0.00 O ATOM 972 CB PRO B 43 -1.375 -4.155 0.478 1.00 0.00 C ATOM 973 CG PRO B 43 -2.490 -4.828 -0.240 1.00 0.00 C ATOM 974 CD PRO B 43 -3.311 -3.728 -0.853 1.00 0.00 C ATOM 0 HA PRO B 43 -0.683 -2.076 0.193 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.508 -4.810 0.568 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.667 -3.872 1.489 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -2.109 -5.504 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -3.090 -5.427 0.445 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.741 -4.032 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -4.140 -3.438 -0.208 1.00 0.00 H new ATOM 982 N ALA B 44 -0.273 -3.125 -2.665 1.00 0.00 N ATOM 983 CA ALA B 44 0.694 -3.410 -3.722 1.00 0.00 C ATOM 984 C ALA B 44 1.248 -4.822 -3.586 1.00 0.00 C ATOM 985 O ALA B 44 2.331 -5.125 -4.087 1.00 0.00 O ATOM 986 CB ALA B 44 1.826 -2.396 -3.695 1.00 0.00 C ATOM 0 H ALA B 44 -1.190 -2.830 -3.000 1.00 0.00 H new ATOM 0 HA ALA B 44 0.179 -3.335 -4.680 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.537 -2.623 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.422 -1.395 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.332 -2.441 -2.731 1.00 0.00 H new ATOM 992 N ALA B 45 0.498 -5.684 -2.907 1.00 0.00 N ATOM 993 CA ALA B 45 0.911 -7.065 -2.698 1.00 0.00 C ATOM 994 C ALA B 45 1.127 -7.783 -4.026 1.00 0.00 C ATOM 995 O ALA B 45 1.672 -8.887 -4.064 1.00 0.00 O ATOM 996 CB ALA B 45 -0.123 -7.800 -1.859 1.00 0.00 C ATOM 0 H ALA B 45 -0.403 -5.448 -2.491 1.00 0.00 H new ATOM 0 HA ALA B 45 1.861 -7.058 -2.163 1.00 0.00 H new ATOM 0 HB1 ALA B 45 0.196 -8.831 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.224 -7.307 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.084 -7.789 -2.374 1.00 0.00 H new ATOM 1002 N SER B 46 0.698 -7.151 -5.111 1.00 0.00 N ATOM 1003 CA SER B 46 0.845 -7.726 -6.442 1.00 0.00 C ATOM 1004 C SER B 46 2.316 -7.916 -6.797 1.00 0.00 C ATOM 1005 O SER B 46 2.670 -8.839 -7.527 1.00 0.00 O ATOM 1006 CB SER B 46 0.168 -6.835 -7.483 1.00 0.00 C ATOM 1007 OG SER B 46 -1.213 -6.688 -7.212 1.00 0.00 O ATOM 0 H SER B 46 0.244 -6.238 -5.095 1.00 0.00 H new ATOM 0 HA SER B 46 0.363 -8.704 -6.441 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.646 -5.855 -7.492 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.303 -7.265 -8.476 1.00 0.00 H new ATOM 0 HG SER B 46 -1.620 -6.112 -7.892 1.00 0.00 H new ATOM 1013 N VAL B 47 3.168 -7.037 -6.277 1.00 0.00 N ATOM 1014 CA VAL B 47 4.598 -7.116 -6.547 1.00 0.00 C ATOM 1015 C VAL B 47 5.415 -7.107 -5.261 1.00 0.00 C ATOM 1016 O VAL B 47 6.624 -7.331 -5.284 1.00 0.00 O ATOM 1017 CB VAL B 47 5.066 -5.959 -7.448 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.382 -6.030 -8.802 1.00 0.00 C ATOM 1019 CG2 VAL B 47 4.806 -4.621 -6.780 1.00 0.00 C ATOM 0 H VAL B 47 2.894 -6.265 -5.669 1.00 0.00 H new ATOM 0 HA VAL B 47 4.762 -8.061 -7.064 1.00 0.00 H new ATOM 0 HB VAL B 47 6.141 -6.055 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL B 47 4.724 -5.205 -9.426 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.627 -6.976 -9.284 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.302 -5.960 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.144 -3.816 -7.433 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.738 -4.510 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.349 -4.574 -5.836 1.00 0.00 H new ATOM 1029 N LEU B 48 4.752 -6.843 -4.140 1.00 0.00 N ATOM 1030 CA LEU B 48 5.429 -6.808 -2.848 1.00 0.00 C ATOM 1031 C LEU B 48 4.968 -7.956 -1.961 1.00 0.00 C ATOM 1032 O LEU B 48 3.823 -8.398 -2.048 1.00 0.00 O ATOM 1033 CB LEU B 48 5.177 -5.470 -2.148 1.00 0.00 C ATOM 1034 CG LEU B 48 5.255 -4.239 -3.052 1.00 0.00 C ATOM 1035 CD1 LEU B 48 4.976 -2.978 -2.252 1.00 0.00 C ATOM 1036 CD2 LEU B 48 6.614 -4.157 -3.728 1.00 0.00 C ATOM 0 H LEU B 48 3.751 -6.651 -4.099 1.00 0.00 H new ATOM 0 HA LEU B 48 6.499 -6.918 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.190 -5.500 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU B 48 5.903 -5.357 -1.343 1.00 0.00 H new ATOM 0 HG LEU B 48 4.495 -4.330 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.035 -2.110 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.978 -3.037 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.714 -2.881 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU B 48 6.650 -3.275 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.394 -4.088 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU B 48 6.774 -5.050 -4.333 1.00 0.00 H new ATOM 1048 N LYS B 49 5.867 -8.436 -1.109 1.00 0.00 N ATOM 1049 CA LYS B 49 5.552 -9.538 -0.208 1.00 0.00 C ATOM 1050 C LYS B 49 5.313 -9.032 1.211 1.00 0.00 C ATOM 1051 O LYS B 49 5.974 -8.100 1.666 1.00 0.00 O ATOM 1052 CB LYS B 49 6.686 -10.561 -0.211 1.00 0.00 C ATOM 1053 CG LYS B 49 6.406 -11.783 0.648 1.00 0.00 C ATOM 1054 CD LYS B 49 7.623 -12.685 0.741 1.00 0.00 C ATOM 1055 CE LYS B 49 8.704 -12.076 1.618 1.00 0.00 C ATOM 1056 NZ LYS B 49 8.241 -11.888 3.021 1.00 0.00 N ATOM 0 H LYS B 49 6.819 -8.080 -1.023 1.00 0.00 H new ATOM 0 HA LYS B 49 4.638 -10.014 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.871 -10.883 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.598 -10.080 0.142 1.00 0.00 H new ATOM 0 HG2 LYS B 49 6.109 -11.466 1.648 1.00 0.00 H new ATOM 0 HG3 LYS B 49 5.569 -12.341 0.228 1.00 0.00 H new ATOM 0 HD2 LYS B 49 7.329 -13.654 1.145 1.00 0.00 H new ATOM 0 HD3 LYS B 49 8.021 -12.864 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS B 49 9.584 -12.719 1.609 1.00 0.00 H new ATOM 0 HE3 LYS B 49 9.008 -11.115 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.065 -11.800 3.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 7.664 -11.025 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 7.670 -12.708 3.311 1.00 0.00 H new ATOM 1070 N ARG B 50 4.364 -9.654 1.901 1.00 0.00 N ATOM 1071 CA ARG B 50 4.040 -9.274 3.268 1.00 0.00 C ATOM 1072 C ARG B 50 4.835 -10.112 4.261 1.00 0.00 C ATOM 1073 O ARG B 50 5.188 -11.257 3.978 1.00 0.00 O ATOM 1074 CB ARG B 50 2.542 -9.440 3.521 1.00 0.00 C ATOM 1075 CG ARG B 50 2.041 -10.857 3.307 1.00 0.00 C ATOM 1076 CD ARG B 50 0.524 -10.926 3.337 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.023 -10.400 4.585 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.323 -10.359 4.860 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.205 -10.814 3.981 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -1.742 -9.861 6.016 1.00 0.00 N ATOM 0 H ARG B 50 3.806 -10.425 1.534 1.00 0.00 H new ATOM 0 HA ARG B 50 4.308 -8.227 3.407 1.00 0.00 H new ATOM 0 HB2 ARG B 50 2.319 -9.136 4.544 1.00 0.00 H new ATOM 0 HB3 ARG B 50 1.994 -8.767 2.862 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.404 -11.231 2.349 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.450 -11.508 4.079 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.119 -10.362 2.497 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.206 -11.961 3.209 1.00 0.00 H new ATOM 0 HE ARG B 50 0.629 -10.044 5.284 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.887 -11.197 3.091 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.202 -10.781 4.195 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.067 -9.509 6.695 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -2.740 -9.830 6.226 1.00 0.00 H new ATOM 1349 N GLU B 71 -0.821 0.534 17.897 1.00 0.00 N ATOM 1350 CA GLU B 71 0.542 0.056 17.704 1.00 0.00 C ATOM 1351 C GLU B 71 1.214 0.769 16.537 1.00 0.00 C ATOM 1352 O GLU B 71 2.384 1.142 16.613 1.00 0.00 O ATOM 1353 CB GLU B 71 0.548 -1.455 17.471 1.00 0.00 C ATOM 1354 CG GLU B 71 -0.200 -1.882 16.218 1.00 0.00 C ATOM 1355 CD GLU B 71 -0.246 -3.386 16.050 1.00 0.00 C ATOM 1356 OE1 GLU B 71 -1.357 -3.932 15.899 1.00 0.00 O ATOM 1357 OE2 GLU B 71 0.829 -4.019 16.069 1.00 0.00 O ATOM 0 HA GLU B 71 1.107 0.278 18.609 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.580 -1.799 17.403 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.104 -1.949 18.335 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -1.218 -1.493 16.257 1.00 0.00 H new ATOM 0 HG3 GLU B 71 0.278 -1.437 15.345 1.00 0.00 H new ATOM 1364 N SER B 72 0.460 0.956 15.460 1.00 0.00 N ATOM 1365 CA SER B 72 0.967 1.623 14.266 1.00 0.00 C ATOM 1366 C SER B 72 2.252 0.970 13.769 1.00 0.00 C ATOM 1367 O SER B 72 3.352 1.411 14.099 1.00 0.00 O ATOM 1368 CB SER B 72 1.210 3.105 14.551 1.00 0.00 C ATOM 1369 OG SER B 72 0.051 3.720 15.085 1.00 0.00 O ATOM 0 H SER B 72 -0.511 0.653 15.389 1.00 0.00 H new ATOM 0 HA SER B 72 0.214 1.526 13.484 1.00 0.00 H new ATOM 0 HB2 SER B 72 2.038 3.212 15.252 1.00 0.00 H new ATOM 0 HB3 SER B 72 1.503 3.612 13.632 1.00 0.00 H new ATOM 0 HG SER B 72 -0.746 3.342 14.659 1.00 0.00 H new ATOM 1375 N THR B 73 2.105 -0.088 12.975 1.00 0.00 N ATOM 1376 CA THR B 73 3.254 -0.800 12.432 1.00 0.00 C ATOM 1377 C THR B 73 2.872 -1.623 11.204 1.00 0.00 C ATOM 1378 O THR B 73 1.885 -2.357 11.215 1.00 0.00 O ATOM 1379 CB THR B 73 3.882 -1.735 13.483 1.00 0.00 C ATOM 1380 OG1 THR B 73 4.260 -0.987 14.644 1.00 0.00 O ATOM 1381 CG2 THR B 73 5.099 -2.448 12.917 1.00 0.00 C ATOM 0 H THR B 73 1.201 -0.469 12.695 1.00 0.00 H new ATOM 0 HA THR B 73 3.982 -0.042 12.143 1.00 0.00 H new ATOM 0 HB THR B 73 3.138 -2.482 13.759 1.00 0.00 H new ATOM 0 HG1 THR B 73 4.326 -0.037 14.414 1.00 0.00 H new ATOM 0 HG21 THR B 73 5.524 -3.102 13.678 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.803 -3.042 12.052 1.00 0.00 H new ATOM 0 HG23 THR B 73 5.844 -1.712 12.614 1.00 0.00 H new ATOM 1389 N TRP B 74 3.664 -1.489 10.143 1.00 0.00 N ATOM 1390 CA TRP B 74 3.432 -2.226 8.904 1.00 0.00 C ATOM 1391 C TRP B 74 4.746 -2.751 8.344 1.00 0.00 C ATOM 1392 O TRP B 74 5.765 -2.062 8.395 1.00 0.00 O ATOM 1393 CB TRP B 74 2.751 -1.338 7.861 1.00 0.00 C ATOM 1394 CG TRP B 74 1.260 -1.281 7.991 1.00 0.00 C ATOM 1395 CD1 TRP B 74 0.492 -0.158 8.070 1.00 0.00 C ATOM 1396 CD2 TRP B 74 0.357 -2.391 8.049 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -0.835 -0.499 8.180 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -0.943 -1.864 8.168 1.00 0.00 C ATOM 1399 CE3 TRP B 74 0.520 -3.778 8.013 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -2.070 -2.676 8.251 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -0.601 -4.582 8.096 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -1.881 -4.029 8.213 1.00 0.00 C ATOM 0 H TRP B 74 4.477 -0.873 10.117 1.00 0.00 H new ATOM 0 HA TRP B 74 2.777 -3.066 9.133 1.00 0.00 H new ATOM 0 HB2 TRP B 74 3.152 -0.327 7.942 1.00 0.00 H new ATOM 0 HB3 TRP B 74 3.005 -1.703 6.866 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.871 0.853 8.049 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.612 0.157 8.258 1.00 0.00 H new ATOM 0 HE3 TRP B 74 1.504 -4.214 7.922 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -3.059 -2.252 8.342 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -0.487 -5.656 8.070 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -2.737 -4.685 8.275 1.00 0.00 H new ATOM 1413 N ARG B 75 4.718 -3.964 7.808 1.00 0.00 N ATOM 1414 CA ARG B 75 5.915 -4.576 7.243 1.00 0.00 C ATOM 1415 C ARG B 75 5.703 -4.957 5.782 1.00 0.00 C ATOM 1416 O ARG B 75 4.920 -5.854 5.471 1.00 0.00 O ATOM 1417 CB ARG B 75 6.311 -5.806 8.052 1.00 0.00 C ATOM 1418 CG ARG B 75 6.631 -5.500 9.504 1.00 0.00 C ATOM 1419 CD ARG B 75 7.235 -6.702 10.204 1.00 0.00 C ATOM 1420 NE ARG B 75 7.540 -6.427 11.605 1.00 0.00 N ATOM 1421 CZ ARG B 75 8.060 -7.324 12.437 1.00 0.00 C ATOM 1422 NH1 ARG B 75 8.333 -8.548 12.008 1.00 0.00 N ATOM 1423 NH2 ARG B 75 8.312 -6.995 13.696 1.00 0.00 N ATOM 0 H ARG B 75 3.881 -4.544 7.752 1.00 0.00 H new ATOM 0 HA ARG B 75 6.720 -3.843 7.289 1.00 0.00 H new ATOM 0 HB2 ARG B 75 5.500 -6.533 8.013 1.00 0.00 H new ATOM 0 HB3 ARG B 75 7.180 -6.272 7.587 1.00 0.00 H new ATOM 0 HG2 ARG B 75 7.324 -4.661 9.556 1.00 0.00 H new ATOM 0 HG3 ARG B 75 5.722 -5.195 10.022 1.00 0.00 H new ATOM 0 HD2 ARG B 75 6.543 -7.542 10.142 1.00 0.00 H new ATOM 0 HD3 ARG B 75 8.147 -7.001 9.687 1.00 0.00 H new ATOM 0 HE ARG B 75 7.343 -5.494 11.966 1.00 0.00 H new ATOM 0 HH11 ARG B 75 8.144 -8.803 11.039 1.00 0.00 H new ATOM 0 HH12 ARG B 75 8.732 -9.235 12.647 1.00 0.00 H new ATOM 0 HH21 ARG B 75 8.107 -6.052 14.028 1.00 0.00 H new ATOM 0 HH22 ARG B 75 8.711 -7.684 14.333 1.00 0.00 H new ATOM 1437 N PHE B 76 6.407 -4.268 4.888 1.00 0.00 N ATOM 1438 CA PHE B 76 6.300 -4.536 3.457 1.00 0.00 C ATOM 1439 C PHE B 76 7.682 -4.636 2.818 1.00 0.00 C ATOM 1440 O PHE B 76 8.431 -3.660 2.781 1.00 0.00 O ATOM 1441 CB PHE B 76 5.494 -3.437 2.766 1.00 0.00 C ATOM 1442 CG PHE B 76 4.054 -3.385 3.184 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.139 -4.289 2.673 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.614 -2.430 4.085 1.00 0.00 C ATOM 1445 CE1 PHE B 76 1.811 -4.242 3.053 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.289 -2.379 4.471 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.386 -3.285 3.952 1.00 0.00 C ATOM 0 H PHE B 76 7.057 -3.520 5.129 1.00 0.00 H new ATOM 0 HA PHE B 76 5.786 -5.489 3.333 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.958 -2.473 2.976 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.544 -3.587 1.688 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.467 -5.040 1.969 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.316 -1.716 4.491 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.107 -4.953 2.647 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.960 -1.632 5.178 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.348 -3.245 4.249 1.00 0.00 H new ATOM 1457 N ARG B 77 8.015 -5.824 2.322 1.00 0.00 N ATOM 1458 CA ARG B 77 9.303 -6.049 1.680 1.00 0.00 C ATOM 1459 C ARG B 77 9.108 -6.419 0.214 1.00 0.00 C ATOM 1460 O ARG B 77 8.331 -7.315 -0.112 1.00 0.00 O ATOM 1461 CB ARG B 77 10.070 -7.155 2.407 1.00 0.00 C ATOM 1462 CG ARG B 77 11.567 -7.115 2.172 1.00 0.00 C ATOM 1463 CD ARG B 77 11.947 -7.700 0.822 1.00 0.00 C ATOM 1464 NE ARG B 77 11.501 -9.081 0.678 1.00 0.00 N ATOM 1465 CZ ARG B 77 12.034 -9.944 -0.181 1.00 0.00 C ATOM 1466 NH1 ARG B 77 13.031 -9.569 -0.970 1.00 0.00 N ATOM 1467 NH2 ARG B 77 11.572 -11.183 -0.252 1.00 0.00 N ATOM 0 H ARG B 77 7.410 -6.645 2.353 1.00 0.00 H new ATOM 0 HA ARG B 77 9.883 -5.128 1.732 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.877 -7.076 3.477 1.00 0.00 H new ATOM 0 HB3 ARG B 77 9.686 -8.123 2.085 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.916 -6.084 2.232 1.00 0.00 H new ATOM 0 HG3 ARG B 77 12.073 -7.669 2.963 1.00 0.00 H new ATOM 0 HD2 ARG B 77 11.510 -7.094 0.029 1.00 0.00 H new ATOM 0 HD3 ARG B 77 13.029 -7.654 0.699 1.00 0.00 H new ATOM 0 HE ARG B 77 10.736 -9.403 1.271 1.00 0.00 H new ATOM 0 HH11 ARG B 77 13.391 -8.616 -0.919 1.00 0.00 H new ATOM 0 HH12 ARG B 77 13.438 -10.233 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG B 77 10.805 -11.477 0.353 1.00 0.00 H new ATOM 0 HH22 ARG B 77 11.983 -11.843 -0.912 1.00 0.00 H new ATOM 1481 N VAL B 78 9.818 -5.725 -0.670 1.00 0.00 N ATOM 1482 CA VAL B 78 9.713 -5.980 -2.103 1.00 0.00 C ATOM 1483 C VAL B 78 10.356 -7.309 -2.476 1.00 0.00 C ATOM 1484 O VAL B 78 11.520 -7.554 -2.162 1.00 0.00 O ATOM 1485 CB VAL B 78 10.371 -4.856 -2.924 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.054 -5.020 -4.401 1.00 0.00 C ATOM 1487 CG2 VAL B 78 9.919 -3.496 -2.420 1.00 0.00 C ATOM 0 H VAL B 78 10.471 -4.983 -0.420 1.00 0.00 H new ATOM 0 HA VAL B 78 8.649 -6.017 -2.338 1.00 0.00 H new ATOM 0 HB VAL B 78 11.452 -4.922 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL B 78 10.527 -4.217 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL B 78 10.432 -5.981 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL B 78 8.975 -4.980 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL B 78 10.393 -2.713 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL B 78 8.836 -3.415 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.203 -3.383 -1.374 1.00 0.00 H new ATOM 1497 N ALA B 79 9.596 -8.164 -3.154 1.00 0.00 N ATOM 1498 CA ALA B 79 10.097 -9.470 -3.563 1.00 0.00 C ATOM 1499 C ALA B 79 9.823 -9.741 -5.041 1.00 0.00 C ATOM 1500 O ALA B 79 10.324 -10.715 -5.601 1.00 0.00 O ATOM 1501 CB ALA B 79 9.477 -10.562 -2.704 1.00 0.00 C ATOM 0 H ALA B 79 8.633 -7.975 -3.431 1.00 0.00 H new ATOM 0 HA ALA B 79 11.178 -9.471 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA B 79 9.859 -11.533 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.734 -10.392 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.393 -10.544 -2.819 1.00 0.00 H new ATOM 1507 N ALA B 80 9.030 -8.878 -5.666 1.00 0.00 N ATOM 1508 CA ALA B 80 8.699 -9.037 -7.077 1.00 0.00 C ATOM 1509 C ALA B 80 8.696 -7.698 -7.799 1.00 0.00 C ATOM 1510 O ALA B 80 8.483 -6.651 -7.189 1.00 0.00 O ATOM 1511 CB ALA B 80 7.351 -9.720 -7.232 1.00 0.00 C ATOM 0 H ALA B 80 8.606 -8.064 -5.220 1.00 0.00 H new ATOM 0 HA ALA B 80 9.467 -9.663 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA B 80 7.119 -9.831 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.385 -10.703 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.580 -9.116 -6.753 1.00 0.00 H new ATOM 1517 N SER B 81 8.935 -7.741 -9.106 1.00 0.00 N ATOM 1518 CA SER B 81 8.964 -6.546 -9.920 1.00 0.00 C ATOM 1519 C SER B 81 7.579 -6.222 -10.459 1.00 0.00 C ATOM 1520 O SER B 81 6.676 -7.056 -10.430 1.00 0.00 O ATOM 1521 CB SER B 81 9.941 -6.735 -11.074 1.00 0.00 C ATOM 1522 OG SER B 81 9.333 -7.421 -12.153 1.00 0.00 O ATOM 0 H SER B 81 9.112 -8.603 -9.622 1.00 0.00 H new ATOM 0 HA SER B 81 9.291 -5.712 -9.299 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.299 -5.763 -11.413 1.00 0.00 H new ATOM 0 HB3 SER B 81 10.811 -7.293 -10.729 1.00 0.00 H new ATOM 0 HG SER B 81 9.981 -7.527 -12.880 1.00 0.00 H new ATOM 1528 N GLY B 82 7.429 -5.004 -10.958 1.00 0.00 N ATOM 1529 CA GLY B 82 6.158 -4.572 -11.503 1.00 0.00 C ATOM 1530 C GLY B 82 5.764 -3.186 -11.033 1.00 0.00 C ATOM 1531 O GLY B 82 6.396 -2.624 -10.137 1.00 0.00 O ATOM 0 H GLY B 82 8.169 -4.303 -10.995 1.00 0.00 H new ATOM 0 HA2 GLY B 82 6.212 -4.581 -12.592 1.00 0.00 H new ATOM 0 HA3 GLY B 82 5.383 -5.283 -11.216 1.00 0.00 H new ATOM 1535 N ASP B 83 4.720 -2.634 -11.641 1.00 0.00 N ATOM 1536 CA ASP B 83 4.237 -1.307 -11.290 1.00 0.00 C ATOM 1537 C ASP B 83 3.032 -1.391 -10.357 1.00 0.00 C ATOM 1538 O ASP B 83 2.052 -2.074 -10.653 1.00 0.00 O ATOM 1539 CB ASP B 83 3.861 -0.544 -12.557 1.00 0.00 C ATOM 1540 CG ASP B 83 2.945 -1.341 -13.463 1.00 0.00 C ATOM 1541 OD1 ASP B 83 1.712 -1.224 -13.311 1.00 0.00 O ATOM 1542 OD2 ASP B 83 3.461 -2.083 -14.325 1.00 0.00 O ATOM 0 H ASP B 83 4.190 -3.090 -12.384 1.00 0.00 H new ATOM 0 HA ASP B 83 5.035 -0.778 -10.769 1.00 0.00 H new ATOM 0 HB2 ASP B 83 3.372 0.391 -12.283 1.00 0.00 H new ATOM 0 HB3 ASP B 83 4.768 -0.282 -13.102 1.00 0.00 H new ATOM 1547 N ASP B 84 3.113 -0.688 -9.232 1.00 0.00 N ATOM 1548 CA ASP B 84 2.030 -0.678 -8.254 1.00 0.00 C ATOM 1549 C ASP B 84 1.982 0.647 -7.501 1.00 0.00 C ATOM 1550 O ASP B 84 2.837 1.511 -7.690 1.00 0.00 O ATOM 1551 CB ASP B 84 2.190 -1.836 -7.267 1.00 0.00 C ATOM 1552 CG ASP B 84 1.712 -3.152 -7.842 1.00 0.00 C ATOM 1553 OD1 ASP B 84 0.585 -3.572 -7.505 1.00 0.00 O ATOM 1554 OD2 ASP B 84 2.462 -3.764 -8.632 1.00 0.00 O ATOM 0 H ASP B 84 3.918 -0.117 -8.974 1.00 0.00 H new ATOM 0 HA ASP B 84 1.091 -0.799 -8.794 1.00 0.00 H new ATOM 0 HB2 ASP B 84 3.238 -1.926 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP B 84 1.631 -1.615 -6.358 1.00 0.00 H new ATOM 1559 N ARG B 85 0.978 0.795 -6.644 1.00 0.00 N ATOM 1560 CA ARG B 85 0.810 2.016 -5.866 1.00 0.00 C ATOM 1561 C ARG B 85 0.148 1.717 -4.527 1.00 0.00 C ATOM 1562 O ARG B 85 -1.029 1.358 -4.476 1.00 0.00 O ATOM 1563 CB ARG B 85 -0.028 3.025 -6.646 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.273 4.323 -5.896 1.00 0.00 C ATOM 1565 CD ARG B 85 -1.075 5.306 -6.728 1.00 0.00 C ATOM 1566 NE ARG B 85 -1.303 6.563 -6.021 1.00 0.00 N ATOM 1567 CZ ARG B 85 -1.852 7.635 -6.581 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.228 7.603 -7.853 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -2.027 8.739 -5.871 1.00 0.00 N ATOM 0 H ARG B 85 0.268 0.084 -6.471 1.00 0.00 H new ATOM 0 HA ARG B 85 1.797 2.439 -5.678 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.472 3.249 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.988 2.572 -6.894 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.804 4.113 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.682 4.771 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -0.548 5.505 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -2.034 4.860 -6.992 1.00 0.00 H new ATOM 0 HE ARG B 85 -1.025 6.621 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.096 6.754 -8.403 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.649 8.427 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG B 85 -1.740 8.767 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -2.449 9.561 -6.303 1.00 0.00 H new ATOM 1583 N LEU B 86 0.901 1.874 -3.444 1.00 0.00 N ATOM 1584 CA LEU B 86 0.373 1.610 -2.112 1.00 0.00 C ATOM 1585 C LEU B 86 -0.764 2.564 -1.777 1.00 0.00 C ATOM 1586 O LEU B 86 -0.815 3.687 -2.275 1.00 0.00 O ATOM 1587 CB LEU B 86 1.480 1.713 -1.065 1.00 0.00 C ATOM 1588 CG LEU B 86 1.051 1.410 0.370 1.00 0.00 C ATOM 1589 CD1 LEU B 86 0.536 -0.014 0.486 1.00 0.00 C ATOM 1590 CD2 LEU B 86 2.205 1.626 1.330 1.00 0.00 C ATOM 0 H LEU B 86 1.874 2.181 -3.462 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.022 0.594 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.282 1.028 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU B 86 1.896 2.720 -1.098 1.00 0.00 H new ATOM 0 HG LEU B 86 0.245 2.095 0.634 1.00 0.00 H new ATOM 0 HD11 LEU B 86 0.236 -0.210 1.515 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -0.322 -0.146 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU B 86 1.324 -0.710 0.199 1.00 0.00 H new ATOM 0 HD21 LEU B 86 1.879 1.405 2.346 1.00 0.00 H new ATOM 0 HD22 LEU B 86 3.030 0.966 1.062 1.00 0.00 H new ATOM 0 HD23 LEU B 86 2.537 2.663 1.273 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.670 2.104 -0.924 1.00 0.00 N ATOM 1603 CA GLU B 87 -2.827 2.900 -0.523 1.00 0.00 C ATOM 1604 C GLU B 87 -3.303 2.522 0.879 1.00 0.00 C ATOM 1605 O GLU B 87 -3.425 1.342 1.205 1.00 0.00 O ATOM 1606 CB GLU B 87 -3.966 2.709 -1.523 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.750 3.428 -2.844 1.00 0.00 C ATOM 1608 CD GLU B 87 -3.839 4.934 -2.712 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -4.590 5.412 -1.835 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -3.163 5.637 -3.492 1.00 0.00 O ATOM 0 H GLU B 87 -1.627 1.180 -0.494 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.525 3.947 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.092 1.644 -1.716 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.894 3.064 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.772 3.160 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -4.493 3.086 -3.565 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.572 3.533 1.703 1.00 0.00 N ATOM 1618 CA LEU B 88 -4.042 3.311 3.069 1.00 0.00 C ATOM 1619 C LEU B 88 -5.011 4.407 3.500 1.00 0.00 C ATOM 1620 O LEU B 88 -4.867 5.564 3.113 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.868 3.264 4.048 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.980 2.024 3.946 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.822 2.278 2.997 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -1.470 1.624 5.322 1.00 0.00 C ATOM 0 H LEU B 88 -3.472 4.516 1.448 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.560 2.352 3.083 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.249 4.147 3.890 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.260 3.327 5.063 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.574 1.202 3.548 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.199 1.385 2.936 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.209 2.519 2.007 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.225 3.112 3.366 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.839 0.740 5.233 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.889 2.443 5.747 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -2.316 1.403 5.973 1.00 0.00 H new ATOM 1636 N VAL B 89 -5.998 4.029 4.307 1.00 0.00 N ATOM 1637 CA VAL B 89 -6.988 4.976 4.809 1.00 0.00 C ATOM 1638 C VAL B 89 -7.401 4.617 6.235 1.00 0.00 C ATOM 1639 O VAL B 89 -7.372 3.450 6.619 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.241 5.018 3.912 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -7.873 5.403 2.487 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -8.967 3.682 3.938 1.00 0.00 C ATOM 0 H VAL B 89 -6.134 3.070 4.628 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.522 5.962 4.800 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.914 5.779 4.306 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -8.773 5.426 1.872 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -7.407 6.388 2.485 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -7.175 4.671 2.081 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -9.848 3.734 3.298 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -8.301 2.899 3.575 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.273 3.454 4.959 1.00 0.00 H new ATOM 1652 N TYR B 90 -7.782 5.623 7.015 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.186 5.402 8.400 1.00 0.00 C ATOM 1654 C TYR B 90 -9.699 5.248 8.518 1.00 0.00 C ATOM 1655 O TYR B 90 -10.438 6.229 8.496 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.711 6.557 9.284 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.955 6.349 10.764 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.477 7.369 11.549 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.660 5.138 11.377 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.698 7.189 12.900 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.881 4.950 12.729 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.399 5.979 13.486 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.619 5.797 14.831 1.00 0.00 O ATOM 0 H TYR B 90 -7.820 6.597 6.714 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.721 4.476 8.738 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.644 6.709 9.121 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.215 7.471 8.969 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -8.714 8.320 11.095 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -7.251 4.330 10.788 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.104 7.994 13.495 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -7.649 4.001 13.190 1.00 0.00 H new ATOM 0 HH TYR B 90 -9.372 6.355 15.118 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.147 4.005 8.646 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.568 3.708 8.773 1.00 0.00 C ATOM 1675 C ARG B 91 -11.777 2.253 9.169 1.00 0.00 C ATOM 1676 O ARG B 91 -10.934 1.401 8.893 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.294 4.001 7.459 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.821 3.144 6.295 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.603 3.442 5.027 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.188 2.592 3.916 1.00 0.00 N ATOM 1681 CZ ARG B 91 -12.834 2.529 2.754 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -13.918 3.265 2.555 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -12.394 1.731 1.792 1.00 0.00 N ATOM 0 H ARG B 91 -9.543 3.183 8.665 1.00 0.00 H new ATOM 0 HA ARG B 91 -11.981 4.346 9.554 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.363 3.845 7.602 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.156 5.052 7.205 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.760 3.322 6.119 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -11.929 2.090 6.551 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -13.667 3.299 5.215 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -12.466 4.488 4.754 1.00 0.00 H new ATOM 0 HE ARG B 91 -11.356 2.014 4.037 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.259 3.881 3.293 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.412 3.215 1.664 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -11.559 1.164 1.942 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -12.890 1.684 0.902 1.00 0.00 H new ATOM 1697 N ARG B 92 -12.903 1.972 9.818 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.211 0.616 10.248 1.00 0.00 C ATOM 1699 C ARG B 92 -13.247 -0.331 9.049 1.00 0.00 C ATOM 1700 O ARG B 92 -13.657 0.058 7.956 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.542 0.588 10.998 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.608 1.587 12.144 1.00 0.00 C ATOM 1703 CD ARG B 92 -15.944 1.527 12.864 1.00 0.00 C ATOM 1704 NE ARG B 92 -16.213 2.742 13.624 1.00 0.00 N ATOM 1705 CZ ARG B 92 -17.360 2.983 14.251 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.341 2.093 14.207 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -17.527 4.113 14.922 1.00 0.00 N ATOM 0 H ARG B 92 -13.614 2.664 10.056 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.426 0.279 10.925 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.351 0.796 10.297 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.709 -0.415 11.390 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -13.804 1.384 12.851 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.447 2.594 11.759 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.741 1.371 12.137 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -15.955 0.669 13.537 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.479 3.448 13.678 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.216 1.222 13.692 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -19.221 2.279 14.689 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -16.774 4.801 14.958 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -18.408 4.295 15.402 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.815 -1.590 9.237 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.770 -2.588 8.168 1.00 0.00 C ATOM 1723 C PRO B 93 -14.131 -3.188 7.820 1.00 0.00 C ATOM 1724 O PRO B 93 -14.331 -3.657 6.700 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.844 -3.681 8.725 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.348 -3.180 10.045 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.329 -2.147 10.500 1.00 0.00 C ATOM 0 HA PRO B 93 -12.427 -2.135 7.238 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -12.381 -4.622 8.843 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -11.014 -3.871 8.045 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -11.277 -3.993 10.767 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.350 -2.752 9.948 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -13.136 -2.585 11.087 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.858 -1.387 11.123 1.00 0.00 H new ATOM 1735 N TRP B 94 -15.064 -3.176 8.766 1.00 0.00 N ATOM 1736 CA TRP B 94 -16.383 -3.750 8.524 1.00 0.00 C ATOM 1737 C TRP B 94 -17.386 -2.703 8.049 1.00 0.00 C ATOM 1738 O TRP B 94 -18.592 -2.947 8.052 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.899 -4.447 9.785 1.00 0.00 C ATOM 1740 CG TRP B 94 -17.257 -3.510 10.896 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -18.452 -2.879 11.082 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.415 -3.104 11.976 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -18.402 -2.102 12.214 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -17.162 -2.225 12.781 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.101 -3.399 12.343 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.640 -1.638 13.927 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.582 -2.815 13.483 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.350 -1.943 14.263 1.00 0.00 C ATOM 0 H TRP B 94 -14.934 -2.780 9.697 1.00 0.00 H new ATOM 0 HA TRP B 94 -16.277 -4.485 7.726 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.776 -5.040 9.527 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.138 -5.142 10.141 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -19.311 -2.976 10.435 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -19.164 -1.527 12.573 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.501 -4.071 11.747 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -17.231 -0.965 14.530 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.566 -3.035 13.777 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -14.915 -1.502 15.148 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.889 -1.544 7.632 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.759 -0.476 7.149 1.00 0.00 C ATOM 1761 C GLU B 95 -17.941 -0.566 5.637 1.00 0.00 C ATOM 1762 O GLU B 95 -16.970 -0.696 4.891 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.198 0.895 7.522 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.434 1.276 8.970 1.00 0.00 C ATOM 1765 CD GLU B 95 -16.991 2.691 9.281 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -17.861 3.584 9.345 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -15.775 2.909 9.457 1.00 0.00 O ATOM 0 H GLU B 95 -15.894 -1.320 7.618 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.730 -0.599 7.628 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.126 0.906 7.323 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.650 1.650 6.879 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.494 1.172 9.201 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -16.898 0.581 9.616 1.00 0.00 H new ATOM 1774 N LYS B 96 -19.191 -0.498 5.193 1.00 0.00 N ATOM 1775 CA LYS B 96 -19.502 -0.569 3.771 1.00 0.00 C ATOM 1776 C LYS B 96 -19.480 0.819 3.141 1.00 0.00 C ATOM 1777 O LYS B 96 -20.460 1.559 3.216 1.00 0.00 O ATOM 1778 CB LYS B 96 -20.872 -1.216 3.559 1.00 0.00 C ATOM 1779 CG LYS B 96 -20.981 -2.618 4.135 1.00 0.00 C ATOM 1780 CD LYS B 96 -20.040 -3.586 3.434 1.00 0.00 C ATOM 1781 CE LYS B 96 -20.155 -4.988 4.008 1.00 0.00 C ATOM 1782 NZ LYS B 96 -21.531 -5.535 3.865 1.00 0.00 N ATOM 0 H LYS B 96 -20.006 -0.394 5.798 1.00 0.00 H new ATOM 0 HA LYS B 96 -18.740 -1.181 3.287 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -21.636 -0.585 4.014 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -21.085 -1.254 2.491 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -20.751 -2.593 5.200 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -22.007 -2.973 4.039 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -20.267 -3.608 2.368 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -19.013 -3.234 3.534 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -19.448 -5.646 3.503 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -19.878 -4.972 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -21.518 -6.559 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -22.162 -5.071 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -21.877 -5.357 2.900 1.00 0.00 H new ATOM 1796 N ASP B 97 -18.354 1.162 2.525 1.00 0.00 N ATOM 1797 CA ASP B 97 -18.195 2.461 1.880 1.00 0.00 C ATOM 1798 C ASP B 97 -18.451 3.597 2.865 1.00 0.00 C ATOM 1799 O ASP B 97 -19.581 4.060 3.013 1.00 0.00 O ATOM 1800 CB ASP B 97 -19.140 2.582 0.682 1.00 0.00 C ATOM 1801 CG ASP B 97 -18.888 1.516 -0.365 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -19.510 0.439 -0.275 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -18.070 1.760 -1.276 1.00 0.00 O ATOM 0 H ASP B 97 -17.536 0.557 2.459 1.00 0.00 H new ATOM 0 HA ASP B 97 -17.166 2.537 1.529 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -20.171 2.511 1.028 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -19.023 3.567 0.229 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.396 4.035 3.542 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.504 5.117 4.513 1.00 0.00 C ATOM 1810 C ALA B 98 -16.317 6.066 4.405 1.00 0.00 C ATOM 1811 O ALA B 98 -15.192 5.641 4.144 1.00 0.00 O ATOM 1812 CB ALA B 98 -17.605 4.554 5.921 1.00 0.00 C ATOM 0 H ALA B 98 -16.455 3.657 3.436 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.411 5.681 4.295 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -17.685 5.373 6.636 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.488 3.919 5.997 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -16.715 3.965 6.142 1.00 0.00 H new ATOM 1818 N GLU B 99 -16.576 7.354 4.606 1.00 0.00 N ATOM 1819 CA GLU B 99 -15.527 8.363 4.530 1.00 0.00 C ATOM 1820 C GLU B 99 -14.535 8.212 5.680 1.00 0.00 C ATOM 1821 O GLU B 99 -14.896 8.379 6.845 1.00 0.00 O ATOM 1822 CB GLU B 99 -16.134 9.763 4.545 1.00 0.00 C ATOM 1823 CG GLU B 99 -16.761 10.163 3.223 1.00 0.00 C ATOM 1824 CD GLU B 99 -17.251 11.594 3.217 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -16.462 12.490 2.851 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -18.423 11.824 3.580 1.00 0.00 O ATOM 0 H GLU B 99 -17.502 7.723 4.822 1.00 0.00 H new ATOM 0 HA GLU B 99 -14.990 8.218 3.593 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -16.891 9.814 5.328 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -15.359 10.484 4.804 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -16.031 10.030 2.425 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -17.596 9.497 3.005 1.00 0.00 H new ATOM 1833 N PRO B 100 -13.265 7.894 5.368 1.00 0.00 N ATOM 1834 CA PRO B 100 -12.224 7.723 6.384 1.00 0.00 C ATOM 1835 C PRO B 100 -11.721 9.055 6.929 1.00 0.00 C ATOM 1836 O PRO B 100 -11.667 10.050 6.207 1.00 0.00 O ATOM 1837 CB PRO B 100 -11.112 7.008 5.619 1.00 0.00 C ATOM 1838 CG PRO B 100 -11.268 7.475 4.215 1.00 0.00 C ATOM 1839 CD PRO B 100 -12.743 7.672 4.005 1.00 0.00 C ATOM 0 HA PRO B 100 -12.586 7.179 7.256 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -10.129 7.263 6.016 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.213 5.925 5.691 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -10.723 8.404 4.050 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -10.868 6.743 3.514 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -12.945 8.524 3.356 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -13.201 6.800 3.538 1.00 0.00 H new ATOM 1847 N ALA B 101 -11.352 9.067 8.205 1.00 0.00 N ATOM 1848 CA ALA B 101 -10.848 10.277 8.843 1.00 0.00 C ATOM 1849 C ALA B 101 -9.519 10.694 8.227 1.00 0.00 C ATOM 1850 O ALA B 101 -9.388 11.795 7.692 1.00 0.00 O ATOM 1851 CB ALA B 101 -10.700 10.062 10.340 1.00 0.00 C ATOM 0 H ALA B 101 -11.392 8.253 8.818 1.00 0.00 H new ATOM 0 HA ALA B 101 -11.566 11.080 8.678 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -10.323 10.974 10.803 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -11.670 9.812 10.769 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.001 9.246 10.523 1.00 0.00 H new ATOM 1857 N GLU B 102 -8.535 9.807 8.307 1.00 0.00 N ATOM 1858 CA GLU B 102 -7.215 10.074 7.750 1.00 0.00 C ATOM 1859 C GLU B 102 -7.058 9.405 6.392 1.00 0.00 C ATOM 1860 O GLU B 102 -8.001 8.816 5.864 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.124 9.575 8.696 1.00 0.00 C ATOM 1862 CG GLU B 102 -5.710 10.593 9.739 1.00 0.00 C ATOM 1863 CD GLU B 102 -4.726 10.029 10.746 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -3.507 10.126 10.499 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -5.176 9.494 11.779 1.00 0.00 O ATOM 0 H GLU B 102 -8.627 8.894 8.753 1.00 0.00 H new ATOM 0 HA GLU B 102 -7.115 11.152 7.626 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -6.476 8.675 9.200 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -5.249 9.292 8.110 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -5.263 11.455 9.243 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -6.596 10.951 10.263 1.00 0.00 H new ATOM 1872 N SER B 103 -5.861 9.503 5.829 1.00 0.00 N ATOM 1873 CA SER B 103 -5.574 8.907 4.534 1.00 0.00 C ATOM 1874 C SER B 103 -4.073 8.845 4.279 1.00 0.00 C ATOM 1875 O SER B 103 -3.294 9.532 4.937 1.00 0.00 O ATOM 1876 CB SER B 103 -6.255 9.702 3.426 1.00 0.00 C ATOM 1877 OG SER B 103 -5.922 9.194 2.148 1.00 0.00 O ATOM 0 H SER B 103 -5.072 9.992 6.252 1.00 0.00 H new ATOM 0 HA SER B 103 -5.964 7.889 4.538 1.00 0.00 H new ATOM 0 HB2 SER B 103 -7.336 9.668 3.563 1.00 0.00 H new ATOM 0 HB3 SER B 103 -5.958 10.749 3.492 1.00 0.00 H new ATOM 0 HG SER B 103 -6.375 9.722 1.458 1.00 0.00 H new ATOM 1883 N PHE B 104 -3.681 8.020 3.317 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.274 7.864 2.967 1.00 0.00 C ATOM 1885 C PHE B 104 -2.124 7.085 1.664 1.00 0.00 C ATOM 1886 O PHE B 104 -3.023 6.347 1.266 1.00 0.00 O ATOM 1887 CB PHE B 104 -1.525 7.151 4.094 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.032 7.165 3.931 1.00 0.00 C ATOM 1889 CD1 PHE B 104 0.704 8.281 4.293 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.634 6.064 3.419 1.00 0.00 C ATOM 1891 CE1 PHE B 104 2.078 8.299 4.147 1.00 0.00 C ATOM 1892 CE2 PHE B 104 2.008 6.076 3.270 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.730 7.195 3.634 1.00 0.00 C ATOM 0 H PHE B 104 -4.318 7.447 2.764 1.00 0.00 H new ATOM 0 HA PHE B 104 -1.844 8.856 2.827 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -1.782 7.621 5.043 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -1.866 6.117 4.147 1.00 0.00 H new ATOM 0 HD1 PHE B 104 0.198 9.147 4.694 1.00 0.00 H new ATOM 0 HD2 PHE B 104 0.073 5.186 3.133 1.00 0.00 H new ATOM 0 HE1 PHE B 104 2.641 9.175 4.434 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.516 5.211 2.869 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.804 7.207 3.518 1.00 0.00 H new ATOM 1903 N SER B 105 -0.984 7.256 1.002 1.00 0.00 N ATOM 1904 CA SER B 105 -0.719 6.565 -0.258 1.00 0.00 C ATOM 1905 C SER B 105 0.743 6.712 -0.665 1.00 0.00 C ATOM 1906 O SER B 105 1.395 7.698 -0.321 1.00 0.00 O ATOM 1907 CB SER B 105 -1.623 7.109 -1.363 1.00 0.00 C ATOM 1908 OG SER B 105 -1.343 8.472 -1.627 1.00 0.00 O ATOM 0 H SER B 105 -0.229 7.866 1.315 1.00 0.00 H new ATOM 0 HA SER B 105 -0.932 5.506 -0.112 1.00 0.00 H new ATOM 0 HB2 SER B 105 -1.484 6.523 -2.272 1.00 0.00 H new ATOM 0 HB3 SER B 105 -2.667 6.999 -1.070 1.00 0.00 H new ATOM 0 HG SER B 105 -1.934 8.795 -2.339 1.00 0.00 H new ATOM 1914 N CYS B 106 1.249 5.726 -1.397 1.00 0.00 N ATOM 1915 CA CYS B 106 2.634 5.746 -1.854 1.00 0.00 C ATOM 1916 C CYS B 106 2.770 5.113 -3.235 1.00 0.00 C ATOM 1917 O CYS B 106 1.873 4.410 -3.699 1.00 0.00 O ATOM 1918 CB CYS B 106 3.531 5.021 -0.852 1.00 0.00 C ATOM 1919 SG CYS B 106 4.266 6.115 0.404 1.00 0.00 S ATOM 0 H CYS B 106 0.721 4.903 -1.687 1.00 0.00 H new ATOM 0 HA CYS B 106 2.949 6.787 -1.927 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.949 4.248 -0.351 1.00 0.00 H new ATOM 0 HB3 CYS B 106 4.331 4.517 -1.394 1.00 0.00 H new ATOM 1924 N ALA B 107 3.904 5.364 -3.884 1.00 0.00 N ATOM 1925 CA ALA B 107 4.161 4.830 -5.215 1.00 0.00 C ATOM 1926 C ALA B 107 5.309 3.832 -5.190 1.00 0.00 C ATOM 1927 O ALA B 107 6.365 4.105 -4.620 1.00 0.00 O ATOM 1928 CB ALA B 107 4.466 5.957 -6.189 1.00 0.00 C ATOM 0 H ALA B 107 4.660 5.935 -3.507 1.00 0.00 H new ATOM 0 HA ALA B 107 3.263 4.309 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.656 5.541 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.615 6.636 -6.238 1.00 0.00 H new ATOM 0 HB3 ALA B 107 5.347 6.503 -5.850 1.00 0.00 H new ATOM 1934 N ILE B 108 5.102 2.675 -5.812 1.00 0.00 N ATOM 1935 CA ILE B 108 6.127 1.641 -5.850 1.00 0.00 C ATOM 1936 C ILE B 108 6.127 0.900 -7.183 1.00 0.00 C ATOM 1937 O ILE B 108 5.190 0.169 -7.501 1.00 0.00 O ATOM 1938 CB ILE B 108 5.941 0.621 -4.709 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.770 1.344 -3.369 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.127 -0.330 -4.660 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.564 0.415 -2.192 1.00 0.00 C ATOM 0 H ILE B 108 4.237 2.432 -6.294 1.00 0.00 H new ATOM 0 HA ILE B 108 7.083 2.149 -5.725 1.00 0.00 H new ATOM 0 HB ILE B 108 5.039 0.040 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.651 1.959 -3.184 1.00 0.00 H new ATOM 0 HG13 ILE B 108 4.918 2.021 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.986 -1.046 -3.851 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.205 -0.863 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE B 108 8.041 0.237 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.451 1.002 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.666 -0.182 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.426 -0.245 -2.094 1.00 0.00 H new ATOM 1953 N GLN B 109 7.188 1.097 -7.957 1.00 0.00 N ATOM 1954 CA GLN B 109 7.333 0.447 -9.256 1.00 0.00 C ATOM 1955 C GLN B 109 8.748 -0.089 -9.420 1.00 0.00 C ATOM 1956 O GLN B 109 9.664 0.651 -9.774 1.00 0.00 O ATOM 1957 CB GLN B 109 7.013 1.432 -10.383 1.00 0.00 C ATOM 1958 CG GLN B 109 7.167 0.839 -11.775 1.00 0.00 C ATOM 1959 CD GLN B 109 6.991 1.872 -12.870 1.00 0.00 C ATOM 1960 OE1 GLN B 109 5.755 2.054 -13.317 1.00 0.00 O flip ATOM 1961 NE2 GLN B 109 7.954 2.501 -13.307 1.00 0.00 N flip ATOM 0 H GLN B 109 7.966 1.706 -7.706 1.00 0.00 H new ATOM 0 HA GLN B 109 6.631 -0.385 -9.308 1.00 0.00 H new ATOM 0 HB2 GLN B 109 5.991 1.790 -10.261 1.00 0.00 H new ATOM 0 HB3 GLN B 109 7.667 2.299 -10.293 1.00 0.00 H new ATOM 0 HG2 GLN B 109 8.153 0.384 -11.865 1.00 0.00 H new ATOM 0 HG3 GLN B 109 6.435 0.043 -11.910 1.00 0.00 H new ATOM 0 HE21 GLN B 109 8.888 2.329 -12.934 1.00 0.00 H new ATOM 0 HE22 GLN B 109 7.819 3.195 -14.042 1.00 0.00 H new ATOM 1970 N VAL B 110 8.922 -1.379 -9.162 1.00 0.00 N ATOM 1971 CA VAL B 110 10.233 -2.006 -9.264 1.00 0.00 C ATOM 1972 C VAL B 110 10.790 -1.911 -10.685 1.00 0.00 C ATOM 1973 O VAL B 110 11.430 -0.921 -11.039 1.00 0.00 O ATOM 1974 CB VAL B 110 10.183 -3.480 -8.818 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.576 -4.083 -8.788 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.519 -3.598 -7.455 1.00 0.00 C ATOM 0 H VAL B 110 8.172 -2.011 -8.881 1.00 0.00 H new ATOM 0 HA VAL B 110 10.900 -1.461 -8.595 1.00 0.00 H new ATOM 0 HB VAL B 110 9.589 -4.037 -9.543 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.515 -5.124 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.016 -4.033 -9.784 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.199 -3.526 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.491 -4.645 -7.153 1.00 0.00 H new ATOM 0 HG22 VAL B 110 10.087 -3.024 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.502 -3.209 -7.511 1.00 0.00 H new ATOM 1986 N ARG B 111 10.549 -2.936 -11.496 1.00 0.00 N ATOM 1987 CA ARG B 111 11.025 -2.950 -12.870 1.00 0.00 C ATOM 1988 C ARG B 111 9.912 -2.567 -13.838 1.00 0.00 C ATOM 1989 O ARG B 111 9.791 -1.365 -14.150 1.00 0.00 O ATOM 1990 CB ARG B 111 11.568 -4.334 -13.218 1.00 0.00 C ATOM 1991 CG ARG B 111 12.815 -4.711 -12.450 1.00 0.00 C ATOM 1992 CD ARG B 111 13.975 -3.843 -12.866 1.00 0.00 C ATOM 1993 NE ARG B 111 15.182 -4.125 -12.094 1.00 0.00 N ATOM 1994 CZ ARG B 111 16.295 -3.404 -12.179 1.00 0.00 C ATOM 1995 NH1 ARG B 111 16.356 -2.365 -12.999 1.00 0.00 N ATOM 1996 NH2 ARG B 111 17.351 -3.724 -11.444 1.00 0.00 N ATOM 1997 OXT ARG B 111 9.172 -3.471 -14.277 1.00 0.00 O ATOM 0 H ARG B 111 10.026 -3.768 -11.223 1.00 0.00 H new ATOM 0 HA ARG B 111 11.824 -2.215 -12.963 1.00 0.00 H new ATOM 0 HB2 ARG B 111 10.794 -5.077 -13.024 1.00 0.00 H new ATOM 0 HB3 ARG B 111 11.785 -4.371 -14.286 1.00 0.00 H new ATOM 0 HG2 ARG B 111 12.637 -4.602 -11.380 1.00 0.00 H new ATOM 0 HG3 ARG B 111 13.056 -5.759 -12.628 1.00 0.00 H new ATOM 0 HD2 ARG B 111 14.180 -3.997 -13.925 1.00 0.00 H new ATOM 0 HD3 ARG B 111 13.704 -2.794 -12.743 1.00 0.00 H new ATOM 0 HE ARG B 111 15.170 -4.919 -11.454 1.00 0.00 H new ATOM 0 HH11 ARG B 111 15.547 -2.116 -13.568 1.00 0.00 H new ATOM 0 HH12 ARG B 111 17.212 -1.814 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG B 111 17.309 -4.524 -10.813 1.00 0.00 H new ATOM 0 HH22 ARG B 111 18.205 -3.170 -11.510 1.00 0.00 H new