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= 0.0602 USER MOD Single : B 14 SER OG : rot -72:sc= 0.125 USER MOD Single : B 17 LYS NZ :NH3+ -142:sc= -1.02 (180deg=-3.28!) USER MOD Single : B 19 THR OG1 : rot 180:sc= -0.244 USER MOD Single : B 20 GLN :FLIP amide:sc= -1.78! C(o=-4.6!,f=-1.8!) USER MOD Single : B 22 GLN :FLIP amide:sc= -1.04 F(o=-3!,f=-1) USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.14 USER MOD Single : B 30 SER OG : rot -150:sc= -0.0689 USER MOD Single : B 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 THR OG1 : rot 180:sc= -0.637 USER MOD Single : B 42 ASN : amide:sc= -0.625 X(o=-0.63,f=-1.1) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 90 TYR OH : rot 135:sc= 0.0464 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 31:sc= 0.326 USER MOD Single : B 109 GLN :FLIP amide:sc= 0.00142 F(o=-0.85,f=0.0014) USER MOD ----------------------------------------------------------------- ATOM 381 N VAL B 5 13.054 0.039 4.524 1.00 0.00 N ATOM 382 CA VAL B 5 13.024 1.492 4.445 1.00 0.00 C ATOM 383 C VAL B 5 11.666 2.017 4.900 1.00 0.00 C ATOM 384 O VAL B 5 10.680 1.946 4.167 1.00 0.00 O ATOM 385 CB VAL B 5 13.325 1.991 3.015 1.00 0.00 C ATOM 386 CG1 VAL B 5 12.483 1.245 1.988 1.00 0.00 C ATOM 387 CG2 VAL B 5 13.098 3.490 2.919 1.00 0.00 C ATOM 0 HA VAL B 5 13.802 1.874 5.106 1.00 0.00 H new ATOM 0 HB VAL B 5 14.373 1.788 2.795 1.00 0.00 H new ATOM 0 HG11 VAL B 5 12.714 1.616 0.989 1.00 0.00 H new ATOM 0 HG12 VAL B 5 12.706 0.179 2.040 1.00 0.00 H new ATOM 0 HG13 VAL B 5 11.426 1.406 2.199 1.00 0.00 H new ATOM 0 HG21 VAL B 5 13.314 3.827 1.905 1.00 0.00 H new ATOM 0 HG22 VAL B 5 12.060 3.717 3.163 1.00 0.00 H new ATOM 0 HG23 VAL B 5 13.756 4.003 3.620 1.00 0.00 H new ATOM 397 N THR B 6 11.624 2.546 6.118 1.00 0.00 N ATOM 398 CA THR B 6 10.385 3.062 6.687 1.00 0.00 C ATOM 399 C THR B 6 9.934 4.342 5.993 1.00 0.00 C ATOM 400 O THR B 6 10.705 4.982 5.276 1.00 0.00 O ATOM 401 CB THR B 6 10.536 3.334 8.195 1.00 0.00 C ATOM 402 OG1 THR B 6 11.589 2.527 8.737 1.00 0.00 O ATOM 403 CG2 THR B 6 9.238 3.028 8.926 1.00 0.00 C ATOM 0 H THR B 6 12.435 2.629 6.731 1.00 0.00 H new ATOM 0 HA THR B 6 9.628 2.293 6.532 1.00 0.00 H new ATOM 0 HB THR B 6 10.779 4.388 8.330 1.00 0.00 H new ATOM 0 HG1 THR B 6 11.679 2.708 9.696 1.00 0.00 H new ATOM 0 HG21 THR B 6 9.364 3.226 9.990 1.00 0.00 H new ATOM 0 HG22 THR B 6 8.441 3.658 8.532 1.00 0.00 H new ATOM 0 HG23 THR B 6 8.977 1.980 8.781 1.00 0.00 H new ATOM 411 N LEU B 7 8.674 4.705 6.212 1.00 0.00 N ATOM 412 CA LEU B 7 8.101 5.908 5.617 1.00 0.00 C ATOM 413 C LEU B 7 7.157 6.596 6.600 1.00 0.00 C ATOM 414 O LEU B 7 6.489 5.935 7.398 1.00 0.00 O ATOM 415 CB LEU B 7 7.349 5.554 4.330 1.00 0.00 C ATOM 416 CG LEU B 7 6.674 6.734 3.623 1.00 0.00 C ATOM 417 CD1 LEU B 7 7.713 7.734 3.135 1.00 0.00 C ATOM 418 CD2 LEU B 7 5.823 6.240 2.461 1.00 0.00 C ATOM 0 H LEU B 7 8.027 4.180 6.800 1.00 0.00 H new ATOM 0 HA LEU B 7 8.914 6.594 5.377 1.00 0.00 H new ATOM 0 HB2 LEU B 7 8.048 5.087 3.636 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.589 4.809 4.566 1.00 0.00 H new ATOM 0 HG LEU B 7 6.025 7.238 4.339 1.00 0.00 H new ATOM 0 HD11 LEU B 7 7.213 8.564 2.636 1.00 0.00 H new ATOM 0 HD12 LEU B 7 8.282 8.111 3.985 1.00 0.00 H new ATOM 0 HD13 LEU B 7 8.389 7.244 2.434 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.350 7.090 1.969 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.454 5.712 1.746 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.054 5.564 2.835 1.00 0.00 H new ATOM 430 N ASP B 8 7.106 7.923 6.540 1.00 0.00 N ATOM 431 CA ASP B 8 6.242 8.696 7.428 1.00 0.00 C ATOM 432 C ASP B 8 5.528 9.807 6.666 1.00 0.00 C ATOM 433 O ASP B 8 4.339 10.053 6.877 1.00 0.00 O ATOM 434 CB ASP B 8 7.059 9.290 8.577 1.00 0.00 C ATOM 435 CG ASP B 8 8.174 10.193 8.089 1.00 0.00 C ATOM 436 OD1 ASP B 8 7.940 11.416 7.969 1.00 0.00 O ATOM 437 OD2 ASP B 8 9.283 9.680 7.828 1.00 0.00 O ATOM 0 H ASP B 8 7.652 8.486 5.887 1.00 0.00 H new ATOM 0 HA ASP B 8 5.489 8.023 7.837 1.00 0.00 H new ATOM 0 HB2 ASP B 8 6.398 9.856 9.234 1.00 0.00 H new ATOM 0 HB3 ASP B 8 7.484 8.482 9.172 1.00 0.00 H new ATOM 442 N ASP B 9 6.259 10.479 5.781 1.00 0.00 N ATOM 443 CA ASP B 9 5.693 11.568 4.989 1.00 0.00 C ATOM 444 C ASP B 9 5.067 11.036 3.701 1.00 0.00 C ATOM 445 O ASP B 9 5.395 9.939 3.247 1.00 0.00 O ATOM 446 CB ASP B 9 6.773 12.600 4.658 1.00 0.00 C ATOM 447 CG ASP B 9 7.957 11.985 3.939 1.00 0.00 C ATOM 448 OD1 ASP B 9 7.871 11.793 2.708 1.00 0.00 O ATOM 449 OD2 ASP B 9 8.973 11.693 4.609 1.00 0.00 O ATOM 0 H ASP B 9 7.244 10.289 5.594 1.00 0.00 H new ATOM 0 HA ASP B 9 4.912 12.047 5.580 1.00 0.00 H new ATOM 0 HB2 ASP B 9 6.343 13.386 4.038 1.00 0.00 H new ATOM 0 HB3 ASP B 9 7.115 13.072 5.579 1.00 0.00 H new ATOM 454 N ALA B 10 4.166 11.822 3.118 1.00 0.00 N ATOM 455 CA ALA B 10 3.492 11.430 1.886 1.00 0.00 C ATOM 456 C ALA B 10 3.732 12.452 0.778 1.00 0.00 C ATOM 457 O ALA B 10 3.301 12.262 -0.360 1.00 0.00 O ATOM 458 CB ALA B 10 2.001 11.259 2.132 1.00 0.00 C ATOM 0 H ALA B 10 3.886 12.734 3.480 1.00 0.00 H new ATOM 0 HA ALA B 10 3.909 10.476 1.562 1.00 0.00 H new ATOM 0 HB1 ALA B 10 1.510 10.966 1.204 1.00 0.00 H new ATOM 0 HB2 ALA B 10 1.843 10.487 2.885 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.580 12.201 2.484 1.00 0.00 H new ATOM 464 N ASP B 11 4.421 13.537 1.120 1.00 0.00 N ATOM 465 CA ASP B 11 4.718 14.591 0.155 1.00 0.00 C ATOM 466 C ASP B 11 5.897 14.202 -0.730 1.00 0.00 C ATOM 467 O ASP B 11 6.098 14.775 -1.803 1.00 0.00 O ATOM 468 CB ASP B 11 5.020 15.904 0.881 1.00 0.00 C ATOM 469 CG ASP B 11 5.317 17.042 -0.078 1.00 0.00 C ATOM 470 OD1 ASP B 11 6.502 17.236 -0.419 1.00 0.00 O ATOM 471 OD2 ASP B 11 4.363 17.737 -0.487 1.00 0.00 O ATOM 0 H ASP B 11 4.784 13.709 2.058 1.00 0.00 H new ATOM 0 HA ASP B 11 3.842 14.727 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP B 11 4.170 16.173 1.507 1.00 0.00 H new ATOM 0 HB3 ASP B 11 5.872 15.761 1.545 1.00 0.00 H new ATOM 476 N ASP B 12 6.676 13.225 -0.275 1.00 0.00 N ATOM 477 CA ASP B 12 7.836 12.760 -1.025 1.00 0.00 C ATOM 478 C ASP B 12 7.476 11.563 -1.903 1.00 0.00 C ATOM 479 O ASP B 12 8.301 11.077 -2.676 1.00 0.00 O ATOM 480 CB ASP B 12 8.969 12.384 -0.066 1.00 0.00 C ATOM 481 CG ASP B 12 10.239 11.983 -0.793 1.00 0.00 C ATOM 482 OD1 ASP B 12 10.443 10.770 -1.007 1.00 0.00 O ATOM 483 OD2 ASP B 12 11.029 12.885 -1.148 1.00 0.00 O ATOM 0 H ASP B 12 6.524 12.741 0.610 1.00 0.00 H new ATOM 0 HA ASP B 12 8.169 13.572 -1.672 1.00 0.00 H new ATOM 0 HB2 ASP B 12 9.181 13.229 0.589 1.00 0.00 H new ATOM 0 HB3 ASP B 12 8.644 11.561 0.570 1.00 0.00 H new ATOM 488 N CYS B 13 6.238 11.094 -1.779 1.00 0.00 N ATOM 489 CA CYS B 13 5.774 9.953 -2.559 1.00 0.00 C ATOM 490 C CYS B 13 5.862 10.236 -4.055 1.00 0.00 C ATOM 491 O CYS B 13 5.479 11.309 -4.524 1.00 0.00 O ATOM 492 CB CYS B 13 4.338 9.587 -2.179 1.00 0.00 C ATOM 493 SG CYS B 13 4.183 8.828 -0.529 1.00 0.00 S ATOM 0 H CYS B 13 5.540 11.486 -1.147 1.00 0.00 H new ATOM 0 HA CYS B 13 6.425 9.109 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS B 13 3.723 10.486 -2.214 1.00 0.00 H new ATOM 0 HB3 CYS B 13 3.939 8.898 -2.924 1.00 0.00 H new ATOM 498 N SER B 14 6.371 9.257 -4.794 1.00 0.00 N ATOM 499 CA SER B 14 6.528 9.374 -6.240 1.00 0.00 C ATOM 500 C SER B 14 6.982 8.043 -6.826 1.00 0.00 C ATOM 501 O SER B 14 7.444 7.172 -6.092 1.00 0.00 O ATOM 502 CB SER B 14 7.549 10.463 -6.575 1.00 0.00 C ATOM 503 OG SER B 14 8.694 10.361 -5.746 1.00 0.00 O ATOM 0 H SER B 14 6.685 8.365 -4.411 1.00 0.00 H new ATOM 0 HA SER B 14 5.566 9.645 -6.674 1.00 0.00 H new ATOM 0 HB2 SER B 14 7.845 10.379 -7.621 1.00 0.00 H new ATOM 0 HB3 SER B 14 7.092 11.445 -6.450 1.00 0.00 H new ATOM 0 HG SER B 14 8.467 10.651 -4.838 1.00 0.00 H new ATOM 509 N PRO B 15 6.847 7.854 -8.156 1.00 0.00 N ATOM 510 CA PRO B 15 7.268 6.614 -8.816 1.00 0.00 C ATOM 511 C PRO B 15 8.764 6.374 -8.650 1.00 0.00 C ATOM 512 O PRO B 15 9.553 6.612 -9.563 1.00 0.00 O ATOM 513 CB PRO B 15 6.924 6.839 -10.290 1.00 0.00 C ATOM 514 CG PRO B 15 6.778 8.316 -10.437 1.00 0.00 C ATOM 515 CD PRO B 15 6.270 8.816 -9.113 1.00 0.00 C ATOM 0 HA PRO B 15 6.776 5.739 -8.392 1.00 0.00 H new ATOM 0 HB2 PRO B 15 7.709 6.454 -10.941 1.00 0.00 H new ATOM 0 HB3 PRO B 15 6.003 6.323 -10.563 1.00 0.00 H new ATOM 0 HG2 PRO B 15 7.732 8.779 -10.689 1.00 0.00 H new ATOM 0 HG3 PRO B 15 6.083 8.561 -11.240 1.00 0.00 H new ATOM 0 HD2 PRO B 15 6.601 9.835 -8.912 1.00 0.00 H new ATOM 0 HD3 PRO B 15 5.181 8.821 -9.074 1.00 0.00 H new ATOM 523 N LEU B 16 9.136 5.910 -7.467 1.00 0.00 N ATOM 524 CA LEU B 16 10.528 5.641 -7.142 1.00 0.00 C ATOM 525 C LEU B 16 10.958 4.267 -7.637 1.00 0.00 C ATOM 526 O LEU B 16 10.221 3.287 -7.506 1.00 0.00 O ATOM 527 CB LEU B 16 10.732 5.736 -5.630 1.00 0.00 C ATOM 528 CG LEU B 16 12.148 5.432 -5.148 1.00 0.00 C ATOM 529 CD1 LEU B 16 13.134 6.413 -5.758 1.00 0.00 C ATOM 530 CD2 LEU B 16 12.211 5.475 -3.629 1.00 0.00 C ATOM 0 H LEU B 16 8.484 5.710 -6.708 1.00 0.00 H new ATOM 0 HA LEU B 16 11.144 6.387 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU B 16 10.462 6.741 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU B 16 10.043 5.047 -5.142 1.00 0.00 H new ATOM 0 HG LEU B 16 12.421 4.427 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU B 16 14.140 6.184 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU B 16 13.103 6.332 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU B 16 12.868 7.428 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU B 16 13.227 5.256 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.923 6.467 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU B 16 11.528 4.733 -3.215 1.00 0.00 H new ATOM 542 N LYS B 17 12.161 4.206 -8.204 1.00 0.00 N ATOM 543 CA LYS B 17 12.706 2.955 -8.715 1.00 0.00 C ATOM 544 C LYS B 17 13.330 2.134 -7.591 1.00 0.00 C ATOM 545 O LYS B 17 14.424 2.441 -7.115 1.00 0.00 O ATOM 546 CB LYS B 17 13.749 3.243 -9.794 1.00 0.00 C ATOM 547 CG LYS B 17 13.176 3.959 -11.003 1.00 0.00 C ATOM 548 CD LYS B 17 14.254 4.694 -11.787 1.00 0.00 C ATOM 549 CE LYS B 17 15.116 3.739 -12.602 1.00 0.00 C ATOM 550 NZ LYS B 17 15.992 2.898 -11.743 1.00 0.00 N ATOM 0 H LYS B 17 12.776 5.011 -8.320 1.00 0.00 H new ATOM 0 HA LYS B 17 11.890 2.377 -9.149 1.00 0.00 H new ATOM 0 HB2 LYS B 17 14.548 3.849 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS B 17 14.199 2.304 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS B 17 12.682 3.237 -11.653 1.00 0.00 H new ATOM 0 HG3 LYS B 17 12.415 4.668 -10.678 1.00 0.00 H new ATOM 0 HD2 LYS B 17 13.787 5.420 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS B 17 14.886 5.254 -11.098 1.00 0.00 H new ATOM 0 HE2 LYS B 17 14.473 3.095 -13.203 1.00 0.00 H new ATOM 0 HE3 LYS B 17 15.732 4.311 -13.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 17 16.916 2.776 -12.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 17 16.123 3.362 -10.822 1.00 0.00 H new ATOM 0 HZ3 LYS B 17 15.550 1.967 -11.602 1.00 0.00 H new ATOM 564 N LEU B 18 12.621 1.092 -7.171 1.00 0.00 N ATOM 565 CA LEU B 18 13.094 0.222 -6.102 1.00 0.00 C ATOM 566 C LEU B 18 13.821 -0.989 -6.669 1.00 0.00 C ATOM 567 O LEU B 18 14.121 -1.046 -7.863 1.00 0.00 O ATOM 568 CB LEU B 18 11.919 -0.235 -5.236 1.00 0.00 C ATOM 569 CG LEU B 18 11.488 0.737 -4.145 1.00 0.00 C ATOM 570 CD1 LEU B 18 11.125 2.092 -4.734 1.00 0.00 C ATOM 571 CD2 LEU B 18 10.325 0.160 -3.354 1.00 0.00 C ATOM 0 H LEU B 18 11.714 0.829 -7.556 1.00 0.00 H new ATOM 0 HA LEU B 18 13.794 0.788 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.065 -0.426 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU B 18 12.183 -1.184 -4.769 1.00 0.00 H new ATOM 0 HG LEU B 18 12.328 0.885 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU B 18 10.821 2.767 -3.934 1.00 0.00 H new ATOM 0 HD12 LEU B 18 11.990 2.508 -5.250 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.303 1.973 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU B 18 10.027 0.865 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU B 18 9.483 -0.020 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.629 -0.780 -2.893 1.00 0.00 H new ATOM 583 N THR B 19 14.101 -1.960 -5.803 1.00 0.00 N ATOM 584 CA THR B 19 14.790 -3.174 -6.217 1.00 0.00 C ATOM 585 C THR B 19 14.459 -4.336 -5.286 1.00 0.00 C ATOM 586 O THR B 19 14.191 -4.141 -4.100 1.00 0.00 O ATOM 587 CB THR B 19 16.317 -2.974 -6.250 1.00 0.00 C ATOM 588 OG1 THR B 19 16.641 -1.780 -6.975 1.00 0.00 O ATOM 589 CG2 THR B 19 16.999 -4.166 -6.900 1.00 0.00 C ATOM 0 H THR B 19 13.861 -1.928 -4.812 1.00 0.00 H new ATOM 0 HA THR B 19 14.443 -3.407 -7.224 1.00 0.00 H new ATOM 0 HB THR B 19 16.673 -2.882 -5.224 1.00 0.00 H new ATOM 0 HG1 THR B 19 17.614 -1.660 -6.990 1.00 0.00 H new ATOM 0 HG21 THR B 19 18.077 -4.005 -6.914 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.774 -5.069 -6.332 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.636 -4.280 -7.921 1.00 0.00 H new ATOM 597 N GLN B 20 14.478 -5.546 -5.836 1.00 0.00 N ATOM 598 CA GLN B 20 14.178 -6.746 -5.065 1.00 0.00 C ATOM 599 C GLN B 20 15.300 -7.052 -4.074 1.00 0.00 C ATOM 600 O GLN B 20 16.363 -7.541 -4.460 1.00 0.00 O ATOM 601 CB GLN B 20 13.977 -7.937 -6.004 1.00 0.00 C ATOM 602 CG GLN B 20 12.960 -7.678 -7.104 1.00 0.00 C ATOM 603 CD GLN B 20 12.984 -8.744 -8.184 1.00 0.00 C ATOM 604 OE1 GLN B 20 11.849 -8.943 -8.843 1.00 0.00 O flip ATOM 605 NE2 GLN B 20 14.013 -9.372 -8.428 1.00 0.00 N flip ATOM 0 H GLN B 20 14.699 -5.721 -6.816 1.00 0.00 H new ATOM 0 HA GLN B 20 13.260 -6.570 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.933 -8.197 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.657 -8.800 -5.420 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.962 -7.631 -6.667 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.157 -6.705 -7.554 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.863 -9.185 -7.896 1.00 0.00 H new ATOM 0 HE22 GLN B 20 14.017 -10.079 -9.163 1.00 0.00 H new ATOM 614 N GLY B 21 15.057 -6.762 -2.801 1.00 0.00 N ATOM 615 CA GLY B 21 16.057 -7.020 -1.778 1.00 0.00 C ATOM 616 C GLY B 21 15.949 -6.089 -0.584 1.00 0.00 C ATOM 617 O GLY B 21 16.926 -5.882 0.136 1.00 0.00 O ATOM 0 H GLY B 21 14.188 -6.354 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.960 -8.050 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY B 21 17.050 -6.922 -2.217 1.00 0.00 H new ATOM 621 N GLN B 22 14.763 -5.526 -0.370 1.00 0.00 N ATOM 622 CA GLN B 22 14.540 -4.619 0.748 1.00 0.00 C ATOM 623 C GLN B 22 13.147 -4.816 1.328 1.00 0.00 C ATOM 624 O GLN B 22 12.292 -5.451 0.707 1.00 0.00 O ATOM 625 CB GLN B 22 14.721 -3.167 0.302 1.00 0.00 C ATOM 626 CG GLN B 22 13.997 -2.833 -0.992 1.00 0.00 C ATOM 627 CD GLN B 22 14.216 -1.398 -1.427 1.00 0.00 C ATOM 628 OE1 GLN B 22 13.238 -0.839 -2.129 1.00 0.00 O flip ATOM 629 NE2 GLN B 22 15.253 -0.799 -1.138 1.00 0.00 N flip ATOM 0 H GLN B 22 13.943 -5.683 -0.956 1.00 0.00 H new ATOM 0 HA GLN B 22 15.275 -4.844 1.521 1.00 0.00 H new ATOM 0 HB2 GLN B 22 14.362 -2.506 1.091 1.00 0.00 H new ATOM 0 HB3 GLN B 22 15.785 -2.964 0.176 1.00 0.00 H new ATOM 0 HG2 GLN B 22 14.340 -3.504 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN B 22 12.929 -3.011 -0.863 1.00 0.00 H new ATOM 0 HE21 GLN B 22 15.979 -1.268 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN B 22 15.386 0.166 -1.440 1.00 0.00 H new ATOM 638 N GLU B 23 12.920 -4.274 2.518 1.00 0.00 N ATOM 639 CA GLU B 23 11.616 -4.405 3.170 1.00 0.00 C ATOM 640 C GLU B 23 10.946 -3.052 3.374 1.00 0.00 C ATOM 641 O GLU B 23 11.428 -2.020 2.904 1.00 0.00 O ATOM 642 CB GLU B 23 11.745 -5.099 4.527 1.00 0.00 C ATOM 643 CG GLU B 23 12.398 -6.466 4.466 1.00 0.00 C ATOM 644 CD GLU B 23 12.334 -7.207 5.790 1.00 0.00 C ATOM 645 OE1 GLU B 23 13.352 -7.221 6.513 1.00 0.00 O ATOM 646 OE2 GLU B 23 11.266 -7.770 6.101 1.00 0.00 O ATOM 0 H GLU B 23 13.611 -3.744 3.049 1.00 0.00 H new ATOM 0 HA GLU B 23 10.998 -5.009 2.506 1.00 0.00 H new ATOM 0 HB2 GLU B 23 12.324 -4.461 5.195 1.00 0.00 H new ATOM 0 HB3 GLU B 23 10.753 -5.202 4.966 1.00 0.00 H new ATOM 0 HG2 GLU B 23 11.909 -7.063 3.696 1.00 0.00 H new ATOM 0 HG3 GLU B 23 13.440 -6.353 4.168 1.00 0.00 H new ATOM 653 N LEU B 24 9.824 -3.082 4.084 1.00 0.00 N ATOM 654 CA LEU B 24 9.063 -1.881 4.392 1.00 0.00 C ATOM 655 C LEU B 24 8.095 -2.155 5.538 1.00 0.00 C ATOM 656 O LEU B 24 7.160 -2.941 5.395 1.00 0.00 O ATOM 657 CB LEU B 24 8.288 -1.393 3.172 1.00 0.00 C ATOM 658 CG LEU B 24 7.276 -0.288 3.474 1.00 0.00 C ATOM 659 CD1 LEU B 24 7.955 1.073 3.502 1.00 0.00 C ATOM 660 CD2 LEU B 24 6.143 -0.305 2.460 1.00 0.00 C ATOM 0 H LEU B 24 9.418 -3.939 4.461 1.00 0.00 H new ATOM 0 HA LEU B 24 9.767 -1.103 4.687 1.00 0.00 H new ATOM 0 HB2 LEU B 24 8.996 -1.028 2.428 1.00 0.00 H new ATOM 0 HB3 LEU B 24 7.764 -2.238 2.726 1.00 0.00 H new ATOM 0 HG LEU B 24 6.852 -0.475 4.461 1.00 0.00 H new ATOM 0 HD11 LEU B 24 7.216 1.844 3.719 1.00 0.00 H new ATOM 0 HD12 LEU B 24 8.724 1.080 4.275 1.00 0.00 H new ATOM 0 HD13 LEU B 24 8.413 1.271 2.533 1.00 0.00 H new ATOM 0 HD21 LEU B 24 5.434 0.489 2.693 1.00 0.00 H new ATOM 0 HD22 LEU B 24 6.547 -0.148 1.460 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.634 -1.268 2.499 1.00 0.00 H new ATOM 672 N VAL B 25 8.321 -1.500 6.669 1.00 0.00 N ATOM 673 CA VAL B 25 7.469 -1.682 7.835 1.00 0.00 C ATOM 674 C VAL B 25 6.960 -0.339 8.352 1.00 0.00 C ATOM 675 O VAL B 25 7.614 0.317 9.163 1.00 0.00 O ATOM 676 CB VAL B 25 8.216 -2.416 8.965 1.00 0.00 C ATOM 677 CG1 VAL B 25 7.308 -2.618 10.171 1.00 0.00 C ATOM 678 CG2 VAL B 25 8.756 -3.752 8.465 1.00 0.00 C ATOM 0 H VAL B 25 9.086 -0.839 6.803 1.00 0.00 H new ATOM 0 HA VAL B 25 6.620 -2.291 7.523 1.00 0.00 H new ATOM 0 HB VAL B 25 9.059 -1.799 9.277 1.00 0.00 H new ATOM 0 HG11 VAL B 25 7.856 -3.138 10.956 1.00 0.00 H new ATOM 0 HG12 VAL B 25 6.975 -1.649 10.542 1.00 0.00 H new ATOM 0 HG13 VAL B 25 6.442 -3.212 9.879 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.281 -4.258 9.275 1.00 0.00 H new ATOM 0 HG22 VAL B 25 7.929 -4.374 8.124 1.00 0.00 H new ATOM 0 HG23 VAL B 25 9.445 -3.579 7.638 1.00 0.00 H new ATOM 688 N LEU B 26 5.788 0.064 7.870 1.00 0.00 N ATOM 689 CA LEU B 26 5.186 1.331 8.272 1.00 0.00 C ATOM 690 C LEU B 26 4.853 1.336 9.761 1.00 0.00 C ATOM 691 O LEU B 26 4.692 0.282 10.379 1.00 0.00 O ATOM 692 CB LEU B 26 3.921 1.599 7.455 1.00 0.00 C ATOM 693 CG LEU B 26 4.157 1.867 5.966 1.00 0.00 C ATOM 694 CD1 LEU B 26 2.835 1.886 5.210 1.00 0.00 C ATOM 695 CD2 LEU B 26 4.906 3.178 5.772 1.00 0.00 C ATOM 0 H LEU B 26 5.235 -0.470 7.199 1.00 0.00 H new ATOM 0 HA LEU B 26 5.911 2.122 8.081 1.00 0.00 H new ATOM 0 HB2 LEU B 26 3.255 0.742 7.553 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.403 2.456 7.885 1.00 0.00 H new ATOM 0 HG LEU B 26 4.769 1.060 5.563 1.00 0.00 H new ATOM 0 HD11 LEU B 26 3.023 2.078 4.154 1.00 0.00 H new ATOM 0 HD12 LEU B 26 2.338 0.922 5.321 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.196 2.672 5.614 1.00 0.00 H new ATOM 0 HD21 LEU B 26 5.065 3.352 4.708 1.00 0.00 H new ATOM 0 HD22 LEU B 26 4.321 3.997 6.190 1.00 0.00 H new ATOM 0 HD23 LEU B 26 5.870 3.125 6.279 1.00 0.00 H new ATOM 707 N THR B 27 4.750 2.534 10.328 1.00 0.00 N ATOM 708 CA THR B 27 4.435 2.691 11.745 1.00 0.00 C ATOM 709 C THR B 27 3.799 4.050 12.014 1.00 0.00 C ATOM 710 O THR B 27 4.456 5.087 11.898 1.00 0.00 O ATOM 711 CB THR B 27 5.693 2.540 12.621 1.00 0.00 C ATOM 712 OG1 THR B 27 6.315 1.273 12.374 1.00 0.00 O ATOM 713 CG2 THR B 27 5.343 2.655 14.099 1.00 0.00 C ATOM 0 H THR B 27 4.880 3.413 9.827 1.00 0.00 H new ATOM 0 HA THR B 27 3.728 1.903 12.004 1.00 0.00 H new ATOM 0 HB THR B 27 6.384 3.342 12.362 1.00 0.00 H new ATOM 0 HG1 THR B 27 7.115 1.186 12.934 1.00 0.00 H new ATOM 0 HG21 THR B 27 6.248 2.545 14.697 1.00 0.00 H new ATOM 0 HG22 THR B 27 4.897 3.630 14.292 1.00 0.00 H new ATOM 0 HG23 THR B 27 4.634 1.872 14.367 1.00 0.00 H new ATOM 721 N LEU B 28 2.520 4.040 12.373 1.00 0.00 N ATOM 722 CA LEU B 28 1.797 5.275 12.658 1.00 0.00 C ATOM 723 C LEU B 28 0.970 5.141 13.938 1.00 0.00 C ATOM 724 O LEU B 28 0.598 4.034 14.329 1.00 0.00 O ATOM 725 CB LEU B 28 0.884 5.638 11.484 1.00 0.00 C ATOM 726 CG LEU B 28 1.601 5.878 10.151 1.00 0.00 C ATOM 727 CD1 LEU B 28 0.591 6.089 9.034 1.00 0.00 C ATOM 728 CD2 LEU B 28 2.539 7.073 10.256 1.00 0.00 C ATOM 0 H LEU B 28 1.963 3.192 12.474 1.00 0.00 H new ATOM 0 HA LEU B 28 2.529 6.070 12.801 1.00 0.00 H new ATOM 0 HB2 LEU B 28 0.157 4.837 11.348 1.00 0.00 H new ATOM 0 HB3 LEU B 28 0.324 6.536 11.744 1.00 0.00 H new ATOM 0 HG LEU B 28 2.195 4.995 9.916 1.00 0.00 H new ATOM 0 HD11 LEU B 28 1.117 6.258 8.095 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -0.040 5.205 8.942 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -0.029 6.955 9.263 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.039 7.228 9.300 1.00 0.00 H new ATOM 0 HD22 LEU B 28 1.966 7.964 10.514 1.00 0.00 H new ATOM 0 HD23 LEU B 28 3.284 6.884 11.029 1.00 0.00 H new ATOM 740 N PRO B 29 0.676 6.271 14.607 1.00 0.00 N ATOM 741 CA PRO B 29 -0.105 6.274 15.844 1.00 0.00 C ATOM 742 C PRO B 29 -1.608 6.223 15.584 1.00 0.00 C ATOM 743 O PRO B 29 -2.106 6.835 14.639 1.00 0.00 O ATOM 744 CB PRO B 29 0.284 7.604 16.482 1.00 0.00 C ATOM 745 CG PRO B 29 0.558 8.509 15.327 1.00 0.00 C ATOM 746 CD PRO B 29 1.083 7.636 14.212 1.00 0.00 C ATOM 0 HA PRO B 29 0.099 5.403 16.467 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.519 7.993 17.109 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.162 7.497 17.119 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -0.349 9.029 15.018 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.287 9.273 15.597 1.00 0.00 H new ATOM 0 HD2 PRO B 29 0.656 7.917 13.249 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.166 7.718 14.116 1.00 0.00 H new ATOM 754 N SER B 30 -2.322 5.486 16.430 1.00 0.00 N ATOM 755 CA SER B 30 -3.769 5.354 16.296 1.00 0.00 C ATOM 756 C SER B 30 -4.428 5.231 17.666 1.00 0.00 C ATOM 757 O SER B 30 -3.753 5.253 18.694 1.00 0.00 O ATOM 758 CB SER B 30 -4.116 4.136 15.438 1.00 0.00 C ATOM 759 OG SER B 30 -3.577 2.948 15.994 1.00 0.00 O ATOM 0 H SER B 30 -1.922 4.972 17.215 1.00 0.00 H new ATOM 0 HA SER B 30 -4.149 6.251 15.807 1.00 0.00 H new ATOM 0 HB2 SER B 30 -5.199 4.043 15.354 1.00 0.00 H new ATOM 0 HB3 SER B 30 -3.729 4.277 14.429 1.00 0.00 H new ATOM 0 HG SER B 30 -3.379 2.311 15.276 1.00 0.00 H new ATOM 765 N ASN B 31 -5.751 5.100 17.669 1.00 0.00 N ATOM 766 CA ASN B 31 -6.502 4.972 18.914 1.00 0.00 C ATOM 767 C ASN B 31 -7.396 3.733 18.890 1.00 0.00 C ATOM 768 O ASN B 31 -8.578 3.819 18.560 1.00 0.00 O ATOM 769 CB ASN B 31 -7.349 6.223 19.155 1.00 0.00 C ATOM 770 CG ASN B 31 -6.510 7.483 19.240 1.00 0.00 C ATOM 771 OD1 ASN B 31 -6.253 8.143 18.233 1.00 0.00 O ATOM 772 ND2 ASN B 31 -6.075 7.822 20.450 1.00 0.00 N ATOM 0 H ASN B 31 -6.324 5.080 16.826 1.00 0.00 H new ATOM 0 HA ASN B 31 -5.787 4.864 19.729 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -8.075 6.327 18.349 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -7.914 6.103 20.079 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -5.504 8.659 20.571 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -6.312 7.245 21.257 1.00 0.00 H new ATOM 779 N PRO B 32 -6.835 2.557 19.231 1.00 0.00 N ATOM 780 CA PRO B 32 -7.588 1.296 19.249 1.00 0.00 C ATOM 781 C PRO B 32 -8.710 1.309 20.282 1.00 0.00 C ATOM 782 O PRO B 32 -9.624 0.485 20.233 1.00 0.00 O ATOM 783 CB PRO B 32 -6.537 0.242 19.619 1.00 0.00 C ATOM 784 CG PRO B 32 -5.220 0.893 19.363 1.00 0.00 C ATOM 785 CD PRO B 32 -5.429 2.358 19.615 1.00 0.00 C ATOM 0 HA PRO B 32 -8.076 1.106 18.293 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -6.631 -0.058 20.663 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -6.654 -0.659 19.017 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -4.450 0.489 20.021 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -4.889 0.716 18.340 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -5.254 2.618 20.659 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -4.755 2.972 19.017 1.00 0.00 H new ATOM 793 N THR B 33 -8.635 2.253 21.218 1.00 0.00 N ATOM 794 CA THR B 33 -9.643 2.373 22.267 1.00 0.00 C ATOM 795 C THR B 33 -10.788 3.280 21.830 1.00 0.00 C ATOM 796 O THR B 33 -11.870 3.252 22.418 1.00 0.00 O ATOM 797 CB THR B 33 -9.035 2.924 23.570 1.00 0.00 C ATOM 798 OG1 THR B 33 -8.463 4.219 23.337 1.00 0.00 O ATOM 799 CG2 THR B 33 -7.968 1.985 24.112 1.00 0.00 C ATOM 0 H THR B 33 -7.887 2.945 21.271 1.00 0.00 H new ATOM 0 HA THR B 33 -10.028 1.370 22.450 1.00 0.00 H new ATOM 0 HB THR B 33 -9.833 3.006 24.308 1.00 0.00 H new ATOM 0 HG1 THR B 33 -8.080 4.562 24.171 1.00 0.00 H new ATOM 0 HG21 THR B 33 -7.554 2.397 25.032 1.00 0.00 H new ATOM 0 HG22 THR B 33 -8.411 1.011 24.318 1.00 0.00 H new ATOM 0 HG23 THR B 33 -7.173 1.874 23.375 1.00 0.00 H new ATOM 807 N THR B 34 -10.543 4.082 20.799 1.00 0.00 N ATOM 808 CA THR B 34 -11.556 4.997 20.286 1.00 0.00 C ATOM 809 C THR B 34 -12.498 4.287 19.320 1.00 0.00 C ATOM 810 O THR B 34 -13.676 4.091 19.620 1.00 0.00 O ATOM 811 CB THR B 34 -10.915 6.205 19.573 1.00 0.00 C ATOM 812 OG1 THR B 34 -10.040 6.897 20.473 1.00 0.00 O ATOM 813 CG2 THR B 34 -11.981 7.162 19.060 1.00 0.00 C ATOM 0 H THR B 34 -9.653 4.117 20.303 1.00 0.00 H new ATOM 0 HA THR B 34 -12.124 5.355 21.145 1.00 0.00 H new ATOM 0 HB THR B 34 -10.344 5.834 18.722 1.00 0.00 H new ATOM 0 HG1 THR B 34 -9.635 7.662 20.013 1.00 0.00 H new ATOM 0 HG21 THR B 34 -11.503 8.005 18.561 1.00 0.00 H new ATOM 0 HG22 THR B 34 -12.628 6.642 18.354 1.00 0.00 H new ATOM 0 HG23 THR B 34 -12.577 7.526 19.897 1.00 0.00 H new ATOM 821 N GLY B 35 -11.973 3.900 18.160 1.00 0.00 N ATOM 822 CA GLY B 35 -12.785 3.216 17.171 1.00 0.00 C ATOM 823 C GLY B 35 -12.226 3.347 15.770 1.00 0.00 C ATOM 824 O GLY B 35 -12.300 2.410 14.974 1.00 0.00 O ATOM 0 H GLY B 35 -11.001 4.048 17.889 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -12.857 2.160 17.432 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -13.797 3.620 17.194 1.00 0.00 H new ATOM 828 N PHE B 36 -11.662 4.513 15.464 1.00 0.00 N ATOM 829 CA PHE B 36 -11.089 4.764 14.153 1.00 0.00 C ATOM 830 C PHE B 36 -9.720 4.109 14.020 1.00 0.00 C ATOM 831 O PHE B 36 -8.723 4.610 14.540 1.00 0.00 O ATOM 832 CB PHE B 36 -10.975 6.265 13.909 1.00 0.00 C ATOM 833 CG PHE B 36 -12.302 6.964 13.814 1.00 0.00 C ATOM 834 CD1 PHE B 36 -12.779 7.718 14.876 1.00 0.00 C ATOM 835 CD2 PHE B 36 -13.070 6.866 12.666 1.00 0.00 C ATOM 836 CE1 PHE B 36 -14.000 8.361 14.790 1.00 0.00 C ATOM 837 CE2 PHE B 36 -14.289 7.506 12.575 1.00 0.00 C ATOM 838 CZ PHE B 36 -14.758 8.254 13.638 1.00 0.00 C ATOM 0 H PHE B 36 -11.592 5.298 16.111 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.750 4.328 13.404 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -10.396 6.712 14.717 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -10.419 6.433 12.987 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -12.191 7.804 15.778 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.711 6.282 11.832 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -14.362 8.947 15.622 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -14.877 7.422 11.673 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.713 8.753 13.570 1.00 0.00 H new ATOM 848 N ARG B 37 -9.688 2.982 13.321 1.00 0.00 N ATOM 849 CA ARG B 37 -8.449 2.242 13.104 1.00 0.00 C ATOM 850 C ARG B 37 -7.916 2.465 11.695 1.00 0.00 C ATOM 851 O ARG B 37 -8.270 3.441 11.031 1.00 0.00 O ATOM 852 CB ARG B 37 -8.676 0.748 13.331 1.00 0.00 C ATOM 853 CG ARG B 37 -8.612 0.330 14.792 1.00 0.00 C ATOM 854 CD ARG B 37 -7.201 0.454 15.348 1.00 0.00 C ATOM 855 NE ARG B 37 -6.252 -0.380 14.616 1.00 0.00 N ATOM 856 CZ ARG B 37 -4.973 -0.515 14.957 1.00 0.00 C ATOM 857 NH1 ARG B 37 -4.493 0.130 16.013 1.00 0.00 N ATOM 858 NH2 ARG B 37 -4.176 -1.295 14.239 1.00 0.00 N ATOM 0 H ARG B 37 -10.510 2.557 12.892 1.00 0.00 H new ATOM 0 HA ARG B 37 -7.713 2.611 13.818 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -9.650 0.473 12.927 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -7.928 0.187 12.770 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -9.291 0.949 15.378 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -8.954 -0.700 14.892 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -6.882 1.495 15.300 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -7.199 0.169 16.400 1.00 0.00 H new ATOM 0 HE ARG B 37 -6.588 -0.887 13.798 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.105 0.731 16.565 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -3.512 0.025 16.272 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -4.544 -1.790 13.427 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -3.195 -1.400 14.499 1.00 0.00 H new ATOM 872 N TRP B 38 -7.064 1.549 11.243 1.00 0.00 N ATOM 873 CA TRP B 38 -6.484 1.637 9.911 1.00 0.00 C ATOM 874 C TRP B 38 -6.880 0.430 9.066 1.00 0.00 C ATOM 875 O TRP B 38 -6.682 -0.717 9.473 1.00 0.00 O ATOM 876 CB TRP B 38 -4.959 1.744 9.993 1.00 0.00 C ATOM 877 CG TRP B 38 -4.481 3.045 10.561 1.00 0.00 C ATOM 878 CD1 TRP B 38 -4.145 3.300 11.860 1.00 0.00 C ATOM 879 CD2 TRP B 38 -4.287 4.274 9.846 1.00 0.00 C ATOM 880 NE1 TRP B 38 -3.755 4.612 11.997 1.00 0.00 N ATOM 881 CE2 TRP B 38 -3.834 5.230 10.775 1.00 0.00 C ATOM 882 CE3 TRP B 38 -4.454 4.659 8.512 1.00 0.00 C ATOM 883 CZ2 TRP B 38 -3.544 6.545 10.412 1.00 0.00 C ATOM 884 CZ3 TRP B 38 -4.167 5.962 8.152 1.00 0.00 C ATOM 885 CH2 TRP B 38 -3.716 6.892 9.101 1.00 0.00 C ATOM 0 H TRP B 38 -6.761 0.738 11.782 1.00 0.00 H new ATOM 0 HA TRP B 38 -6.873 2.536 9.434 1.00 0.00 H new ATOM 0 HB2 TRP B 38 -4.578 0.927 10.606 1.00 0.00 H new ATOM 0 HB3 TRP B 38 -4.540 1.616 8.995 1.00 0.00 H new ATOM 0 HD1 TRP B 38 -4.180 2.578 12.662 1.00 0.00 H new ATOM 0 HE1 TRP B 38 -3.456 5.054 12.866 1.00 0.00 H new ATOM 0 HE3 TRP B 38 -4.801 3.950 7.775 1.00 0.00 H new ATOM 0 HZ2 TRP B 38 -3.196 7.263 11.140 1.00 0.00 H new ATOM 0 HZ3 TRP B 38 -4.292 6.269 7.124 1.00 0.00 H new ATOM 0 HH2 TRP B 38 -3.500 7.903 8.789 1.00 0.00 H new ATOM 896 N GLU B 39 -7.440 0.695 7.889 1.00 0.00 N ATOM 897 CA GLU B 39 -7.866 -0.371 6.990 1.00 0.00 C ATOM 898 C GLU B 39 -6.985 -0.419 5.745 1.00 0.00 C ATOM 899 O GLU B 39 -6.698 0.611 5.131 1.00 0.00 O ATOM 900 CB GLU B 39 -9.330 -0.176 6.590 1.00 0.00 C ATOM 901 CG GLU B 39 -9.868 -1.273 5.685 1.00 0.00 C ATOM 902 CD GLU B 39 -9.829 -2.642 6.337 1.00 0.00 C ATOM 903 OE1 GLU B 39 -8.804 -3.342 6.187 1.00 0.00 O ATOM 904 OE2 GLU B 39 -10.820 -3.014 6.999 1.00 0.00 O ATOM 0 H GLU B 39 -7.609 1.637 7.537 1.00 0.00 H new ATOM 0 HA GLU B 39 -7.766 -1.319 7.518 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -9.941 -0.129 7.492 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.434 0.784 6.084 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.895 -1.037 5.406 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.285 -1.297 4.764 1.00 0.00 H new ATOM 911 N LEU B 40 -6.564 -1.625 5.378 1.00 0.00 N ATOM 912 CA LEU B 40 -5.718 -1.819 4.206 1.00 0.00 C ATOM 913 C LEU B 40 -6.551 -1.792 2.928 1.00 0.00 C ATOM 914 O LEU B 40 -7.569 -2.476 2.824 1.00 0.00 O ATOM 915 CB LEU B 40 -4.965 -3.148 4.319 1.00 0.00 C ATOM 916 CG LEU B 40 -4.016 -3.464 3.162 1.00 0.00 C ATOM 917 CD1 LEU B 40 -2.975 -2.365 3.002 1.00 0.00 C ATOM 918 CD2 LEU B 40 -3.341 -4.808 3.390 1.00 0.00 C ATOM 0 H LEU B 40 -6.795 -2.484 5.877 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.996 -1.003 4.161 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.392 -3.144 5.246 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.694 -3.954 4.399 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.598 -3.516 2.242 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.311 -2.611 2.173 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.474 -1.418 2.798 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -2.393 -2.278 3.920 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.668 -5.022 2.560 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -2.773 -4.777 4.320 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.098 -5.589 3.454 1.00 0.00 H new ATOM 930 N ARG B 41 -6.112 -0.995 1.955 1.00 0.00 N ATOM 931 CA ARG B 41 -6.823 -0.871 0.687 1.00 0.00 C ATOM 932 C ARG B 41 -6.039 -1.516 -0.453 1.00 0.00 C ATOM 933 O ARG B 41 -6.579 -2.327 -1.209 1.00 0.00 O ATOM 934 CB ARG B 41 -7.086 0.605 0.377 1.00 0.00 C ATOM 935 CG ARG B 41 -8.558 0.949 0.174 1.00 0.00 C ATOM 936 CD ARG B 41 -9.403 0.591 1.388 1.00 0.00 C ATOM 937 NE ARG B 41 -9.792 -0.818 1.396 1.00 0.00 N ATOM 938 CZ ARG B 41 -10.744 -1.316 2.180 1.00 0.00 C ATOM 939 NH1 ARG B 41 -11.404 -0.520 3.012 1.00 0.00 N ATOM 940 NH2 ARG B 41 -11.037 -2.609 2.133 1.00 0.00 N ATOM 0 H ARG B 41 -5.268 -0.427 2.022 1.00 0.00 H new ATOM 0 HA ARG B 41 -7.774 -1.395 0.779 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -6.692 1.212 1.192 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -6.533 0.880 -0.521 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -8.655 2.015 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -8.937 0.418 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -8.844 0.817 2.296 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -10.298 1.213 1.401 1.00 0.00 H new ATOM 0 HE ARG B 41 -9.306 -1.455 0.765 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -11.181 0.475 3.051 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -12.134 -0.903 3.613 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -10.532 -3.224 1.495 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -11.767 -2.989 2.735 1.00 0.00 H new ATOM 954 N ASN B 42 -4.765 -1.156 -0.574 1.00 0.00 N ATOM 955 CA ASN B 42 -3.913 -1.702 -1.625 1.00 0.00 C ATOM 956 C ASN B 42 -2.483 -1.905 -1.122 1.00 0.00 C ATOM 957 O ASN B 42 -1.668 -0.983 -1.168 1.00 0.00 O ATOM 958 CB ASN B 42 -3.911 -0.775 -2.844 1.00 0.00 C ATOM 959 CG ASN B 42 -3.215 -1.394 -4.041 1.00 0.00 C ATOM 960 OD1 ASN B 42 -3.179 -2.617 -4.191 1.00 0.00 O ATOM 961 ND2 ASN B 42 -2.660 -0.551 -4.905 1.00 0.00 N ATOM 0 H ASN B 42 -4.300 -0.489 0.042 1.00 0.00 H new ATOM 0 HA ASN B 42 -4.317 -2.672 -1.915 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -4.939 -0.529 -3.112 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -3.417 0.161 -2.584 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -2.181 -0.909 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -2.713 0.455 -4.742 1.00 0.00 H new ATOM 968 N PRO B 43 -2.160 -3.115 -0.629 1.00 0.00 N ATOM 969 CA PRO B 43 -0.823 -3.426 -0.115 1.00 0.00 C ATOM 970 C PRO B 43 0.193 -3.658 -1.228 1.00 0.00 C ATOM 971 O PRO B 43 1.291 -4.156 -0.981 1.00 0.00 O ATOM 972 CB PRO B 43 -1.048 -4.717 0.671 1.00 0.00 C ATOM 973 CG PRO B 43 -2.183 -5.383 -0.029 1.00 0.00 C ATOM 974 CD PRO B 43 -3.072 -4.274 -0.528 1.00 0.00 C ATOM 0 HA PRO B 43 -0.413 -2.607 0.476 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -0.157 -5.344 0.669 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -1.290 -4.511 1.714 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -1.825 -5.998 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -2.725 -6.043 0.648 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -3.516 -4.520 -1.493 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -3.894 -4.078 0.161 1.00 0.00 H new ATOM 982 N ALA B 44 -0.177 -3.292 -2.454 1.00 0.00 N ATOM 983 CA ALA B 44 0.707 -3.461 -3.600 1.00 0.00 C ATOM 984 C ALA B 44 1.181 -4.907 -3.713 1.00 0.00 C ATOM 985 O ALA B 44 2.283 -5.173 -4.193 1.00 0.00 O ATOM 986 CB ALA B 44 1.897 -2.518 -3.489 1.00 0.00 C ATOM 0 H ALA B 44 -1.082 -2.877 -2.677 1.00 0.00 H new ATOM 0 HA ALA B 44 0.148 -3.217 -4.503 1.00 0.00 H new ATOM 0 HB1 ALA B 44 2.550 -2.654 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA B 44 1.543 -1.487 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA B 44 2.451 -2.737 -2.576 1.00 0.00 H new ATOM 992 N ALA B 45 0.337 -5.836 -3.272 1.00 0.00 N ATOM 993 CA ALA B 45 0.664 -7.257 -3.319 1.00 0.00 C ATOM 994 C ALA B 45 0.941 -7.719 -4.746 1.00 0.00 C ATOM 995 O ALA B 45 1.399 -8.840 -4.968 1.00 0.00 O ATOM 996 CB ALA B 45 -0.463 -8.076 -2.707 1.00 0.00 C ATOM 0 H ALA B 45 -0.580 -5.629 -2.877 1.00 0.00 H new ATOM 0 HA ALA B 45 1.573 -7.411 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -0.207 -9.135 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -0.607 -7.777 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.383 -7.903 -3.265 1.00 0.00 H new ATOM 1002 N SER B 46 0.657 -6.848 -5.712 1.00 0.00 N ATOM 1003 CA SER B 46 0.874 -7.165 -7.118 1.00 0.00 C ATOM 1004 C SER B 46 2.353 -7.414 -7.403 1.00 0.00 C ATOM 1005 O SER B 46 2.699 -8.218 -8.269 1.00 0.00 O ATOM 1006 CB SER B 46 0.356 -6.032 -8.004 1.00 0.00 C ATOM 1007 OG SER B 46 -1.035 -5.832 -7.816 1.00 0.00 O ATOM 0 H SER B 46 0.276 -5.917 -5.544 1.00 0.00 H new ATOM 0 HA SER B 46 0.322 -8.077 -7.345 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.893 -5.112 -7.774 1.00 0.00 H new ATOM 0 HB3 SER B 46 0.555 -6.264 -9.050 1.00 0.00 H new ATOM 0 HG SER B 46 -1.341 -5.101 -8.393 1.00 0.00 H new ATOM 1013 N VAL B 47 3.223 -6.721 -6.672 1.00 0.00 N ATOM 1014 CA VAL B 47 4.662 -6.873 -6.857 1.00 0.00 C ATOM 1015 C VAL B 47 5.381 -7.089 -5.527 1.00 0.00 C ATOM 1016 O VAL B 47 6.348 -7.848 -5.453 1.00 0.00 O ATOM 1017 CB VAL B 47 5.271 -5.648 -7.569 1.00 0.00 C ATOM 1018 CG1 VAL B 47 4.684 -5.493 -8.964 1.00 0.00 C ATOM 1019 CG2 VAL B 47 5.055 -4.384 -6.749 1.00 0.00 C ATOM 0 H VAL B 47 2.957 -6.052 -5.949 1.00 0.00 H new ATOM 0 HA VAL B 47 4.803 -7.755 -7.482 1.00 0.00 H new ATOM 0 HB VAL B 47 6.345 -5.809 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL B 47 5.126 -4.623 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL B 47 4.900 -6.386 -9.551 1.00 0.00 H new ATOM 0 HG13 VAL B 47 3.605 -5.359 -8.892 1.00 0.00 H new ATOM 0 HG21 VAL B 47 5.493 -3.533 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL B 47 3.987 -4.216 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL B 47 5.531 -4.497 -5.775 1.00 0.00 H new ATOM 1029 N LEU B 48 4.907 -6.421 -4.479 1.00 0.00 N ATOM 1030 CA LEU B 48 5.516 -6.545 -3.157 1.00 0.00 C ATOM 1031 C LEU B 48 4.895 -7.702 -2.379 1.00 0.00 C ATOM 1032 O LEU B 48 3.680 -7.755 -2.192 1.00 0.00 O ATOM 1033 CB LEU B 48 5.356 -5.241 -2.370 1.00 0.00 C ATOM 1034 CG LEU B 48 5.606 -3.961 -3.172 1.00 0.00 C ATOM 1035 CD1 LEU B 48 5.298 -2.735 -2.326 1.00 0.00 C ATOM 1036 CD2 LEU B 48 7.040 -3.916 -3.678 1.00 0.00 C ATOM 0 H LEU B 48 4.106 -5.790 -4.518 1.00 0.00 H new ATOM 0 HA LEU B 48 6.578 -6.749 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU B 48 4.346 -5.203 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.042 -5.260 -1.523 1.00 0.00 H new ATOM 0 HG LEU B 48 4.940 -3.960 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU B 48 5.481 -1.834 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU B 48 4.253 -2.760 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU B 48 5.939 -2.731 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU B 48 7.197 -2.999 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU B 48 7.726 -3.941 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.226 -4.776 -4.321 1.00 0.00 H new ATOM 1048 N LYS B 49 5.737 -8.625 -1.927 1.00 0.00 N ATOM 1049 CA LYS B 49 5.272 -9.783 -1.169 1.00 0.00 C ATOM 1050 C LYS B 49 5.153 -9.450 0.316 1.00 0.00 C ATOM 1051 O LYS B 49 5.957 -8.690 0.859 1.00 0.00 O ATOM 1052 CB LYS B 49 6.224 -10.963 -1.363 1.00 0.00 C ATOM 1053 CG LYS B 49 5.784 -12.231 -0.645 1.00 0.00 C ATOM 1054 CD LYS B 49 6.827 -13.328 -0.771 1.00 0.00 C ATOM 1055 CE LYS B 49 8.065 -13.023 0.057 1.00 0.00 C ATOM 1056 NZ LYS B 49 9.087 -14.099 -0.052 1.00 0.00 N ATOM 0 H LYS B 49 6.746 -8.594 -2.072 1.00 0.00 H new ATOM 0 HA LYS B 49 4.285 -10.056 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS B 49 6.315 -11.173 -2.429 1.00 0.00 H new ATOM 0 HB3 LYS B 49 7.215 -10.681 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS B 49 5.609 -12.013 0.408 1.00 0.00 H new ATOM 0 HG3 LYS B 49 4.838 -12.577 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS B 49 6.398 -14.277 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS B 49 7.108 -13.444 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS B 49 8.497 -12.078 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS B 49 7.781 -12.897 1.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 9.915 -13.852 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 8.684 -14.996 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 9.378 -14.202 -1.045 1.00 0.00 H new ATOM 1070 N ARG B 50 4.145 -10.022 0.968 1.00 0.00 N ATOM 1071 CA ARG B 50 3.921 -9.786 2.392 1.00 0.00 C ATOM 1072 C ARG B 50 4.654 -10.822 3.238 1.00 0.00 C ATOM 1073 O ARG B 50 4.743 -11.993 2.864 1.00 0.00 O ATOM 1074 CB ARG B 50 2.423 -9.822 2.705 1.00 0.00 C ATOM 1075 CG ARG B 50 2.097 -9.528 4.161 1.00 0.00 C ATOM 1076 CD ARG B 50 0.604 -9.626 4.428 1.00 0.00 C ATOM 1077 NE ARG B 50 -0.162 -8.698 3.597 1.00 0.00 N ATOM 1078 CZ ARG B 50 -1.492 -8.687 3.539 1.00 0.00 C ATOM 1079 NH1 ARG B 50 -2.198 -9.550 4.256 1.00 0.00 N ATOM 1080 NH2 ARG B 50 -2.114 -7.812 2.759 1.00 0.00 N ATOM 0 H ARG B 50 3.470 -10.652 0.534 1.00 0.00 H new ATOM 0 HA ARG B 50 4.314 -8.800 2.638 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.911 -9.096 2.073 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.030 -10.805 2.445 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.629 -10.230 4.803 1.00 0.00 H new ATOM 0 HG3 ARG B 50 2.449 -8.529 4.419 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.268 -10.645 4.238 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.409 -9.417 5.480 1.00 0.00 H new ATOM 0 HE ARG B 50 0.351 -8.022 3.031 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -1.722 -10.225 4.855 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -3.217 -9.539 4.209 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.573 -7.148 2.204 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -3.133 -7.803 2.714 1.00 0.00 H new ATOM 1349 N GLU B 71 -1.509 0.030 18.077 1.00 0.00 N ATOM 1350 CA GLU B 71 -0.987 0.835 16.976 1.00 0.00 C ATOM 1351 C GLU B 71 -1.057 0.071 15.656 1.00 0.00 C ATOM 1352 O GLU B 71 -1.498 -1.077 15.614 1.00 0.00 O ATOM 1353 CB GLU B 71 0.456 1.260 17.262 1.00 0.00 C ATOM 1354 CG GLU B 71 0.593 2.170 18.472 1.00 0.00 C ATOM 1355 CD GLU B 71 2.033 2.550 18.757 1.00 0.00 C ATOM 1356 OE1 GLU B 71 2.687 1.843 19.553 1.00 0.00 O ATOM 1357 OE2 GLU B 71 2.507 3.554 18.184 1.00 0.00 O ATOM 0 HA GLU B 71 -1.608 1.727 16.888 1.00 0.00 H new ATOM 0 HB2 GLU B 71 1.065 0.369 17.417 1.00 0.00 H new ATOM 0 HB3 GLU B 71 0.856 1.771 16.386 1.00 0.00 H new ATOM 0 HG2 GLU B 71 0.008 3.075 18.309 1.00 0.00 H new ATOM 0 HG3 GLU B 71 0.173 1.672 19.346 1.00 0.00 H new ATOM 1364 N SER B 72 -0.617 0.719 14.579 1.00 0.00 N ATOM 1365 CA SER B 72 -0.634 0.102 13.257 1.00 0.00 C ATOM 1366 C SER B 72 0.780 -0.252 12.801 1.00 0.00 C ATOM 1367 O SER B 72 1.703 0.553 12.929 1.00 0.00 O ATOM 1368 CB SER B 72 -1.286 1.042 12.241 1.00 0.00 C ATOM 1369 OG SER B 72 -0.587 2.272 12.158 1.00 0.00 O ATOM 0 H SER B 72 -0.245 1.669 14.597 1.00 0.00 H new ATOM 0 HA SER B 72 -1.217 -0.817 13.321 1.00 0.00 H new ATOM 0 HB2 SER B 72 -1.306 0.565 11.261 1.00 0.00 H new ATOM 0 HB3 SER B 72 -2.322 1.228 12.526 1.00 0.00 H new ATOM 0 HG SER B 72 -1.024 2.853 11.501 1.00 0.00 H new ATOM 1375 N THR B 73 0.937 -1.460 12.270 1.00 0.00 N ATOM 1376 CA THR B 73 2.234 -1.923 11.791 1.00 0.00 C ATOM 1377 C THR B 73 2.073 -2.819 10.567 1.00 0.00 C ATOM 1378 O THR B 73 1.684 -3.982 10.683 1.00 0.00 O ATOM 1379 CB THR B 73 2.996 -2.696 12.885 1.00 0.00 C ATOM 1380 OG1 THR B 73 3.142 -1.879 14.053 1.00 0.00 O ATOM 1381 CG2 THR B 73 4.370 -3.126 12.388 1.00 0.00 C ATOM 0 H THR B 73 0.181 -2.136 12.161 1.00 0.00 H new ATOM 0 HA THR B 73 2.809 -1.037 11.520 1.00 0.00 H new ATOM 0 HB THR B 73 2.421 -3.587 13.135 1.00 0.00 H new ATOM 0 HG1 THR B 73 3.626 -2.379 14.743 1.00 0.00 H new ATOM 0 HG21 THR B 73 4.889 -3.670 13.178 1.00 0.00 H new ATOM 0 HG22 THR B 73 4.256 -3.772 11.517 1.00 0.00 H new ATOM 0 HG23 THR B 73 4.950 -2.245 12.113 1.00 0.00 H new ATOM 1389 N TRP B 74 2.371 -2.268 9.393 1.00 0.00 N ATOM 1390 CA TRP B 74 2.256 -3.016 8.147 1.00 0.00 C ATOM 1391 C TRP B 74 3.634 -3.402 7.618 1.00 0.00 C ATOM 1392 O TRP B 74 4.429 -2.541 7.239 1.00 0.00 O ATOM 1393 CB TRP B 74 1.508 -2.190 7.099 1.00 0.00 C ATOM 1394 CG TRP B 74 0.198 -1.656 7.590 1.00 0.00 C ATOM 1395 CD1 TRP B 74 -0.032 -0.422 8.131 1.00 0.00 C ATOM 1396 CD2 TRP B 74 -1.062 -2.337 7.589 1.00 0.00 C ATOM 1397 NE1 TRP B 74 -1.359 -0.294 8.465 1.00 0.00 N ATOM 1398 CE2 TRP B 74 -2.012 -1.455 8.141 1.00 0.00 C ATOM 1399 CE3 TRP B 74 -1.481 -3.606 7.174 1.00 0.00 C ATOM 1400 CZ2 TRP B 74 -3.352 -1.804 8.290 1.00 0.00 C ATOM 1401 CZ3 TRP B 74 -2.813 -3.948 7.321 1.00 0.00 C ATOM 1402 CH2 TRP B 74 -3.735 -3.050 7.874 1.00 0.00 C ATOM 0 H TRP B 74 2.694 -1.307 9.280 1.00 0.00 H new ATOM 0 HA TRP B 74 1.694 -3.928 8.349 1.00 0.00 H new ATOM 0 HB2 TRP B 74 2.138 -1.357 6.786 1.00 0.00 H new ATOM 0 HB3 TRP B 74 1.334 -2.807 6.217 1.00 0.00 H new ATOM 0 HD1 TRP B 74 0.719 0.341 8.275 1.00 0.00 H new ATOM 0 HE1 TRP B 74 -1.788 0.530 8.885 1.00 0.00 H new ATOM 0 HE3 TRP B 74 -0.777 -4.305 6.747 1.00 0.00 H new ATOM 0 HZ2 TRP B 74 -4.064 -1.115 8.719 1.00 0.00 H new ATOM 0 HZ3 TRP B 74 -3.148 -4.924 7.004 1.00 0.00 H new ATOM 0 HH2 TRP B 74 -4.769 -3.347 7.974 1.00 0.00 H new ATOM 1413 N ARG B 75 3.909 -4.703 7.595 1.00 0.00 N ATOM 1414 CA ARG B 75 5.191 -5.206 7.115 1.00 0.00 C ATOM 1415 C ARG B 75 5.092 -5.664 5.663 1.00 0.00 C ATOM 1416 O ARG B 75 4.091 -6.254 5.255 1.00 0.00 O ATOM 1417 CB ARG B 75 5.667 -6.361 7.994 1.00 0.00 C ATOM 1418 CG ARG B 75 5.867 -5.970 9.448 1.00 0.00 C ATOM 1419 CD ARG B 75 6.573 -7.068 10.224 1.00 0.00 C ATOM 1420 NE ARG B 75 5.796 -8.306 10.253 1.00 0.00 N ATOM 1421 CZ ARG B 75 6.149 -9.383 10.947 1.00 0.00 C ATOM 1422 NH1 ARG B 75 7.262 -9.377 11.668 1.00 0.00 N ATOM 1423 NH2 ARG B 75 5.386 -10.470 10.923 1.00 0.00 N ATOM 0 H ARG B 75 3.261 -5.428 7.903 1.00 0.00 H new ATOM 0 HA ARG B 75 5.914 -4.392 7.169 1.00 0.00 H new ATOM 0 HB2 ARG B 75 4.941 -7.172 7.940 1.00 0.00 H new ATOM 0 HB3 ARG B 75 6.606 -6.747 7.597 1.00 0.00 H new ATOM 0 HG2 ARG B 75 6.450 -5.051 9.502 1.00 0.00 H new ATOM 0 HG3 ARG B 75 4.900 -5.762 9.907 1.00 0.00 H new ATOM 0 HD2 ARG B 75 7.546 -7.262 9.773 1.00 0.00 H new ATOM 0 HD3 ARG B 75 6.755 -6.731 11.244 1.00 0.00 H new ATOM 0 HE ARG B 75 4.934 -8.345 9.710 1.00 0.00 H new ATOM 0 HH11 ARG B 75 7.850 -8.544 11.691 1.00 0.00 H new ATOM 0 HH12 ARG B 75 7.530 -10.205 12.199 1.00 0.00 H new ATOM 0 HH21 ARG B 75 4.528 -10.479 10.371 1.00 0.00 H new ATOM 0 HH22 ARG B 75 5.658 -11.296 11.456 1.00 0.00 H new ATOM 1437 N PHE B 76 6.138 -5.387 4.888 1.00 0.00 N ATOM 1438 CA PHE B 76 6.172 -5.769 3.478 1.00 0.00 C ATOM 1439 C PHE B 76 7.591 -6.122 3.045 1.00 0.00 C ATOM 1440 O PHE B 76 8.558 -5.837 3.754 1.00 0.00 O ATOM 1441 CB PHE B 76 5.628 -4.637 2.604 1.00 0.00 C ATOM 1442 CG PHE B 76 4.176 -4.337 2.839 1.00 0.00 C ATOM 1443 CD1 PHE B 76 3.191 -5.168 2.327 1.00 0.00 C ATOM 1444 CD2 PHE B 76 3.794 -3.223 3.572 1.00 0.00 C ATOM 1445 CE1 PHE B 76 1.854 -4.894 2.543 1.00 0.00 C ATOM 1446 CE2 PHE B 76 2.458 -2.946 3.789 1.00 0.00 C ATOM 1447 CZ PHE B 76 1.486 -3.782 3.273 1.00 0.00 C ATOM 0 H PHE B 76 6.973 -4.900 5.212 1.00 0.00 H new ATOM 0 HA PHE B 76 5.541 -6.649 3.352 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.211 -3.735 2.789 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.771 -4.899 1.556 1.00 0.00 H new ATOM 0 HD1 PHE B 76 3.472 -6.039 1.753 1.00 0.00 H new ATOM 0 HD2 PHE B 76 4.549 -2.565 3.977 1.00 0.00 H new ATOM 0 HE1 PHE B 76 1.097 -5.550 2.140 1.00 0.00 H new ATOM 0 HE2 PHE B 76 2.173 -2.076 4.362 1.00 0.00 H new ATOM 0 HZ PHE B 76 0.441 -3.566 3.441 1.00 0.00 H new ATOM 1457 N ARG B 77 7.706 -6.737 1.873 1.00 0.00 N ATOM 1458 CA ARG B 77 9.003 -7.130 1.335 1.00 0.00 C ATOM 1459 C ARG B 77 8.962 -7.150 -0.191 1.00 0.00 C ATOM 1460 O ARG B 77 8.004 -7.640 -0.789 1.00 0.00 O ATOM 1461 CB ARG B 77 9.402 -8.505 1.875 1.00 0.00 C ATOM 1462 CG ARG B 77 10.883 -8.822 1.725 1.00 0.00 C ATOM 1463 CD ARG B 77 11.212 -9.339 0.334 1.00 0.00 C ATOM 1464 NE ARG B 77 12.624 -9.685 0.198 1.00 0.00 N ATOM 1465 CZ ARG B 77 13.113 -10.407 -0.806 1.00 0.00 C ATOM 1466 NH1 ARG B 77 12.308 -10.861 -1.758 1.00 0.00 N ATOM 1467 NH2 ARG B 77 14.411 -10.677 -0.857 1.00 0.00 N ATOM 0 H ARG B 77 6.914 -6.975 1.276 1.00 0.00 H new ATOM 0 HA ARG B 77 9.748 -6.400 1.651 1.00 0.00 H new ATOM 0 HB2 ARG B 77 9.134 -8.562 2.930 1.00 0.00 H new ATOM 0 HB3 ARG B 77 8.823 -9.270 1.357 1.00 0.00 H new ATOM 0 HG2 ARG B 77 11.469 -7.925 1.927 1.00 0.00 H new ATOM 0 HG3 ARG B 77 11.172 -9.566 2.467 1.00 0.00 H new ATOM 0 HD2 ARG B 77 10.602 -10.216 0.120 1.00 0.00 H new ATOM 0 HD3 ARG B 77 10.952 -8.581 -0.405 1.00 0.00 H new ATOM 0 HE ARG B 77 13.272 -9.354 0.913 1.00 0.00 H new ATOM 0 HH11 ARG B 77 11.309 -10.657 -1.722 1.00 0.00 H new ATOM 0 HH12 ARG B 77 12.688 -11.414 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG B 77 15.033 -10.331 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG B 77 14.787 -11.231 -1.627 1.00 0.00 H new ATOM 1481 N VAL B 78 10.006 -6.613 -0.814 1.00 0.00 N ATOM 1482 CA VAL B 78 10.082 -6.564 -2.270 1.00 0.00 C ATOM 1483 C VAL B 78 10.677 -7.851 -2.832 1.00 0.00 C ATOM 1484 O VAL B 78 11.802 -8.224 -2.496 1.00 0.00 O ATOM 1485 CB VAL B 78 10.926 -5.366 -2.747 1.00 0.00 C ATOM 1486 CG1 VAL B 78 10.864 -5.236 -4.263 1.00 0.00 C ATOM 1487 CG2 VAL B 78 10.458 -4.085 -2.074 1.00 0.00 C ATOM 0 H VAL B 78 10.809 -6.206 -0.335 1.00 0.00 H new ATOM 0 HA VAL B 78 9.063 -6.449 -2.638 1.00 0.00 H new ATOM 0 HB VAL B 78 11.964 -5.540 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL B 78 11.466 -4.385 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL B 78 11.251 -6.145 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL B 78 9.830 -5.085 -4.573 1.00 0.00 H new ATOM 0 HG21 VAL B 78 11.064 -3.249 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL B 78 9.413 -3.904 -2.324 1.00 0.00 H new ATOM 0 HG23 VAL B 78 10.561 -4.183 -0.993 1.00 0.00 H new ATOM 1497 N ALA B 79 9.915 -8.528 -3.690 1.00 0.00 N ATOM 1498 CA ALA B 79 10.367 -9.779 -4.289 1.00 0.00 C ATOM 1499 C ALA B 79 10.132 -9.795 -5.797 1.00 0.00 C ATOM 1500 O ALA B 79 10.744 -10.580 -6.520 1.00 0.00 O ATOM 1501 CB ALA B 79 9.665 -10.957 -3.634 1.00 0.00 C ATOM 0 H ALA B 79 8.985 -8.231 -3.984 1.00 0.00 H new ATOM 0 HA ALA B 79 11.440 -9.862 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA B 79 10.010 -11.885 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.892 -10.969 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA B 79 8.588 -10.863 -3.774 1.00 0.00 H new ATOM 1507 N ALA B 80 9.243 -8.924 -6.268 1.00 0.00 N ATOM 1508 CA ALA B 80 8.935 -8.849 -7.693 1.00 0.00 C ATOM 1509 C ALA B 80 9.021 -7.416 -8.202 1.00 0.00 C ATOM 1510 O ALA B 80 8.809 -6.464 -7.451 1.00 0.00 O ATOM 1511 CB ALA B 80 7.556 -9.424 -7.971 1.00 0.00 C ATOM 0 H ALA B 80 8.726 -8.264 -5.687 1.00 0.00 H new ATOM 0 HA ALA B 80 9.678 -9.442 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA B 80 7.343 -9.360 -9.038 1.00 0.00 H new ATOM 0 HB2 ALA B 80 7.527 -10.467 -7.657 1.00 0.00 H new ATOM 0 HB3 ALA B 80 6.807 -8.858 -7.417 1.00 0.00 H new ATOM 1517 N SER B 81 9.333 -7.274 -9.485 1.00 0.00 N ATOM 1518 CA SER B 81 9.453 -5.970 -10.108 1.00 0.00 C ATOM 1519 C SER B 81 8.109 -5.501 -10.647 1.00 0.00 C ATOM 1520 O SER B 81 7.101 -6.197 -10.527 1.00 0.00 O ATOM 1521 CB SER B 81 10.473 -6.035 -11.241 1.00 0.00 C ATOM 1522 OG SER B 81 9.884 -6.529 -12.432 1.00 0.00 O ATOM 0 H SER B 81 9.508 -8.057 -10.115 1.00 0.00 H new ATOM 0 HA SER B 81 9.788 -5.256 -9.356 1.00 0.00 H new ATOM 0 HB2 SER B 81 10.885 -5.042 -11.421 1.00 0.00 H new ATOM 0 HB3 SER B 81 11.304 -6.677 -10.949 1.00 0.00 H new ATOM 0 HG SER B 81 10.558 -6.559 -13.142 1.00 0.00 H new ATOM 1528 N GLY B 82 8.107 -4.318 -11.248 1.00 0.00 N ATOM 1529 CA GLY B 82 6.887 -3.765 -11.801 1.00 0.00 C ATOM 1530 C GLY B 82 6.458 -2.489 -11.101 1.00 0.00 C ATOM 1531 O GLY B 82 7.116 -2.034 -10.166 1.00 0.00 O ATOM 0 H GLY B 82 8.932 -3.730 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY B 82 7.032 -3.562 -12.862 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.089 -4.504 -11.724 1.00 0.00 H new ATOM 1535 N ASP B 83 5.349 -1.912 -11.559 1.00 0.00 N ATOM 1536 CA ASP B 83 4.829 -0.682 -10.974 1.00 0.00 C ATOM 1537 C ASP B 83 3.671 -0.978 -10.028 1.00 0.00 C ATOM 1538 O ASP B 83 2.982 -1.988 -10.168 1.00 0.00 O ATOM 1539 CB ASP B 83 4.373 0.277 -12.077 1.00 0.00 C ATOM 1540 CG ASP B 83 3.795 1.564 -11.521 1.00 0.00 C ATOM 1541 OD1 ASP B 83 4.576 2.512 -11.284 1.00 0.00 O ATOM 1542 OD2 ASP B 83 2.563 1.627 -11.327 1.00 0.00 O ATOM 0 H ASP B 83 4.795 -2.278 -12.333 1.00 0.00 H new ATOM 0 HA ASP B 83 5.629 -0.212 -10.402 1.00 0.00 H new ATOM 0 HB2 ASP B 83 5.219 0.511 -12.724 1.00 0.00 H new ATOM 0 HB3 ASP B 83 3.625 -0.216 -12.697 1.00 0.00 H new ATOM 1547 N ASP B 84 3.462 -0.084 -9.065 1.00 0.00 N ATOM 1548 CA ASP B 84 2.388 -0.243 -8.091 1.00 0.00 C ATOM 1549 C ASP B 84 2.195 1.041 -7.288 1.00 0.00 C ATOM 1550 O ASP B 84 2.846 2.052 -7.550 1.00 0.00 O ATOM 1551 CB ASP B 84 2.695 -1.407 -7.147 1.00 0.00 C ATOM 1552 CG ASP B 84 3.958 -1.180 -6.340 1.00 0.00 C ATOM 1553 OD1 ASP B 84 3.846 -0.854 -5.139 1.00 0.00 O ATOM 1554 OD2 ASP B 84 5.061 -1.329 -6.908 1.00 0.00 O ATOM 0 H ASP B 84 4.023 0.758 -8.939 1.00 0.00 H new ATOM 0 HA ASP B 84 1.466 -0.458 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP B 84 1.855 -1.552 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP B 84 2.798 -2.324 -7.727 1.00 0.00 H new ATOM 1559 N ARG B 85 1.296 0.994 -6.311 1.00 0.00 N ATOM 1560 CA ARG B 85 1.018 2.151 -5.471 1.00 0.00 C ATOM 1561 C ARG B 85 0.283 1.737 -4.201 1.00 0.00 C ATOM 1562 O ARG B 85 -0.877 1.325 -4.251 1.00 0.00 O ATOM 1563 CB ARG B 85 0.189 3.175 -6.245 1.00 0.00 C ATOM 1564 CG ARG B 85 -0.107 4.438 -5.457 1.00 0.00 C ATOM 1565 CD ARG B 85 -0.935 5.421 -6.267 1.00 0.00 C ATOM 1566 NE ARG B 85 -0.257 5.827 -7.496 1.00 0.00 N ATOM 1567 CZ ARG B 85 -0.801 6.627 -8.409 1.00 0.00 C ATOM 1568 NH1 ARG B 85 -2.022 7.110 -8.231 1.00 0.00 N ATOM 1569 NH2 ARG B 85 -0.119 6.949 -9.502 1.00 0.00 N ATOM 0 H ARG B 85 0.747 0.165 -6.082 1.00 0.00 H new ATOM 0 HA ARG B 85 1.968 2.602 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG B 85 0.719 3.443 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG B 85 -0.752 2.715 -6.546 1.00 0.00 H new ATOM 0 HG2 ARG B 85 -0.640 4.180 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG B 85 0.829 4.909 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG B 85 -1.895 4.968 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG B 85 -1.146 6.302 -5.661 1.00 0.00 H new ATOM 0 HE ARG B 85 0.686 5.477 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG B 85 -2.549 6.869 -7.391 1.00 0.00 H new ATOM 0 HH12 ARG B 85 -2.435 7.723 -8.934 1.00 0.00 H new ATOM 0 HH21 ARG B 85 0.823 6.583 -9.642 1.00 0.00 H new ATOM 0 HH22 ARG B 85 -0.537 7.562 -10.202 1.00 0.00 H new ATOM 1583 N LEU B 86 0.961 1.848 -3.062 1.00 0.00 N ATOM 1584 CA LEU B 86 0.369 1.484 -1.782 1.00 0.00 C ATOM 1585 C LEU B 86 -0.806 2.399 -1.450 1.00 0.00 C ATOM 1586 O LEU B 86 -0.778 3.594 -1.747 1.00 0.00 O ATOM 1587 CB LEU B 86 1.422 1.553 -0.674 1.00 0.00 C ATOM 1588 CG LEU B 86 2.331 0.326 -0.558 1.00 0.00 C ATOM 1589 CD1 LEU B 86 3.303 0.496 0.598 1.00 0.00 C ATOM 1590 CD2 LEU B 86 1.507 -0.938 -0.369 1.00 0.00 C ATOM 0 H LEU B 86 1.921 2.187 -3.001 1.00 0.00 H new ATOM 0 HA LEU B 86 -0.002 0.462 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU B 86 2.045 2.432 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU B 86 0.914 1.700 0.279 1.00 0.00 H new ATOM 0 HG LEU B 86 2.898 0.232 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU B 86 3.943 -0.384 0.668 1.00 0.00 H new ATOM 0 HD12 LEU B 86 3.919 1.379 0.429 1.00 0.00 H new ATOM 0 HD13 LEU B 86 2.746 0.615 1.527 1.00 0.00 H new ATOM 0 HD21 LEU B 86 2.172 -1.798 -0.289 1.00 0.00 H new ATOM 0 HD22 LEU B 86 0.913 -0.853 0.541 1.00 0.00 H new ATOM 0 HD23 LEU B 86 0.844 -1.071 -1.224 1.00 0.00 H new ATOM 1602 N GLU B 87 -1.839 1.831 -0.832 1.00 0.00 N ATOM 1603 CA GLU B 87 -3.025 2.597 -0.468 1.00 0.00 C ATOM 1604 C GLU B 87 -3.540 2.198 0.914 1.00 0.00 C ATOM 1605 O GLU B 87 -4.072 1.102 1.096 1.00 0.00 O ATOM 1606 CB GLU B 87 -4.131 2.393 -1.507 1.00 0.00 C ATOM 1607 CG GLU B 87 -3.673 2.602 -2.943 1.00 0.00 C ATOM 1608 CD GLU B 87 -4.828 2.830 -3.899 1.00 0.00 C ATOM 1609 OE1 GLU B 87 -5.220 4.000 -4.089 1.00 0.00 O ATOM 1610 OE2 GLU B 87 -5.340 1.837 -4.460 1.00 0.00 O ATOM 0 H GLU B 87 -1.877 0.845 -0.574 1.00 0.00 H new ATOM 0 HA GLU B 87 -2.743 3.650 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -4.529 1.383 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -4.949 3.081 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -2.999 3.457 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -3.104 1.731 -3.269 1.00 0.00 H new ATOM 1617 N LEU B 88 -3.377 3.092 1.881 1.00 0.00 N ATOM 1618 CA LEU B 88 -3.838 2.841 3.242 1.00 0.00 C ATOM 1619 C LEU B 88 -4.884 3.876 3.646 1.00 0.00 C ATOM 1620 O LEU B 88 -4.600 5.073 3.688 1.00 0.00 O ATOM 1621 CB LEU B 88 -2.665 2.866 4.229 1.00 0.00 C ATOM 1622 CG LEU B 88 -1.660 1.722 4.073 1.00 0.00 C ATOM 1623 CD1 LEU B 88 -0.729 1.981 2.897 1.00 0.00 C ATOM 1624 CD2 LEU B 88 -0.866 1.530 5.357 1.00 0.00 C ATOM 0 H LEU B 88 -2.929 3.999 1.749 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.291 1.850 3.270 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -2.135 3.812 4.116 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -3.063 2.843 5.243 1.00 0.00 H new ATOM 0 HG LEU B 88 -2.213 0.804 3.872 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.023 1.156 2.804 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.314 2.063 1.981 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -0.183 2.909 3.063 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -0.157 0.713 5.227 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -0.325 2.447 5.591 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -1.547 1.293 6.174 1.00 0.00 H new ATOM 1636 N VAL B 89 -6.093 3.409 3.941 1.00 0.00 N ATOM 1637 CA VAL B 89 -7.178 4.304 4.325 1.00 0.00 C ATOM 1638 C VAL B 89 -7.364 4.332 5.837 1.00 0.00 C ATOM 1639 O VAL B 89 -6.920 3.432 6.549 1.00 0.00 O ATOM 1640 CB VAL B 89 -8.503 3.897 3.648 1.00 0.00 C ATOM 1641 CG1 VAL B 89 -9.015 2.579 4.210 1.00 0.00 C ATOM 1642 CG2 VAL B 89 -9.551 4.989 3.790 1.00 0.00 C ATOM 0 H VAL B 89 -6.345 2.421 3.922 1.00 0.00 H new ATOM 0 HA VAL B 89 -6.903 5.303 3.988 1.00 0.00 H new ATOM 0 HB VAL B 89 -8.306 3.760 2.585 1.00 0.00 H new ATOM 0 HG11 VAL B 89 -9.950 2.312 3.718 1.00 0.00 H new ATOM 0 HG12 VAL B 89 -8.276 1.797 4.034 1.00 0.00 H new ATOM 0 HG13 VAL B 89 -9.186 2.682 5.282 1.00 0.00 H new ATOM 0 HG21 VAL B 89 -10.474 4.673 3.303 1.00 0.00 H new ATOM 0 HG22 VAL B 89 -9.743 5.174 4.847 1.00 0.00 H new ATOM 0 HG23 VAL B 89 -9.189 5.904 3.322 1.00 0.00 H new ATOM 1652 N TYR B 90 -8.027 5.376 6.316 1.00 0.00 N ATOM 1653 CA TYR B 90 -8.278 5.541 7.745 1.00 0.00 C ATOM 1654 C TYR B 90 -9.772 5.471 8.048 1.00 0.00 C ATOM 1655 O TYR B 90 -10.492 6.456 7.894 1.00 0.00 O ATOM 1656 CB TYR B 90 -7.704 6.874 8.230 1.00 0.00 C ATOM 1657 CG TYR B 90 -7.829 7.092 9.724 1.00 0.00 C ATOM 1658 CD1 TYR B 90 -8.637 8.102 10.232 1.00 0.00 C ATOM 1659 CD2 TYR B 90 -7.138 6.291 10.623 1.00 0.00 C ATOM 1660 CE1 TYR B 90 -8.750 8.307 11.595 1.00 0.00 C ATOM 1661 CE2 TYR B 90 -7.245 6.489 11.986 1.00 0.00 C ATOM 1662 CZ TYR B 90 -8.052 7.498 12.468 1.00 0.00 C ATOM 1663 OH TYR B 90 -8.163 7.698 13.824 1.00 0.00 O ATOM 0 H TYR B 90 -8.403 6.125 5.735 1.00 0.00 H new ATOM 0 HA TYR B 90 -7.784 4.726 8.275 1.00 0.00 H new ATOM 0 HB2 TYR B 90 -6.651 6.927 7.952 1.00 0.00 H new ATOM 0 HB3 TYR B 90 -8.212 7.687 7.711 1.00 0.00 H new ATOM 0 HD1 TYR B 90 -9.185 8.737 9.552 1.00 0.00 H new ATOM 0 HD2 TYR B 90 -6.506 5.499 10.250 1.00 0.00 H new ATOM 0 HE1 TYR B 90 -9.382 9.097 11.974 1.00 0.00 H new ATOM 0 HE2 TYR B 90 -6.699 5.857 12.671 1.00 0.00 H new ATOM 0 HH TYR B 90 -8.281 6.835 14.273 1.00 0.00 H new ATOM 1673 N ARG B 91 -10.228 4.297 8.475 1.00 0.00 N ATOM 1674 CA ARG B 91 -11.636 4.093 8.800 1.00 0.00 C ATOM 1675 C ARG B 91 -11.795 3.020 9.872 1.00 0.00 C ATOM 1676 O ARG B 91 -10.810 2.444 10.337 1.00 0.00 O ATOM 1677 CB ARG B 91 -12.418 3.695 7.546 1.00 0.00 C ATOM 1678 CG ARG B 91 -11.954 2.386 6.929 1.00 0.00 C ATOM 1679 CD ARG B 91 -12.759 2.043 5.687 1.00 0.00 C ATOM 1680 NE ARG B 91 -12.653 3.076 4.659 1.00 0.00 N ATOM 1681 CZ ARG B 91 -13.286 3.020 3.491 1.00 0.00 C ATOM 1682 NH1 ARG B 91 -14.071 1.987 3.204 1.00 0.00 N ATOM 1683 NH2 ARG B 91 -13.138 3.998 2.607 1.00 0.00 N ATOM 0 H ARG B 91 -9.642 3.472 8.604 1.00 0.00 H new ATOM 0 HA ARG B 91 -12.034 5.031 9.186 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -13.475 3.613 7.798 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -12.327 4.489 6.804 1.00 0.00 H new ATOM 0 HG2 ARG B 91 -10.897 2.458 6.671 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -12.050 1.583 7.660 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -12.412 1.092 5.282 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -13.806 1.910 5.960 1.00 0.00 H new ATOM 0 HE ARG B 91 -12.061 3.885 4.848 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -14.190 1.233 3.881 1.00 0.00 H new ATOM 0 HH12 ARG B 91 -14.555 1.948 2.307 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -12.538 4.794 2.823 1.00 0.00 H new ATOM 0 HH22 ARG B 91 -13.624 3.954 1.711 1.00 0.00 H new ATOM 1697 N ARG B 92 -13.039 2.752 10.259 1.00 0.00 N ATOM 1698 CA ARG B 92 -13.322 1.742 11.272 1.00 0.00 C ATOM 1699 C ARG B 92 -13.376 0.349 10.642 1.00 0.00 C ATOM 1700 O ARG B 92 -13.942 0.173 9.562 1.00 0.00 O ATOM 1701 CB ARG B 92 -14.639 2.055 11.984 1.00 0.00 C ATOM 1702 CG ARG B 92 -14.629 3.391 12.711 1.00 0.00 C ATOM 1703 CD ARG B 92 -15.945 3.646 13.429 1.00 0.00 C ATOM 1704 NE ARG B 92 -15.932 4.908 14.165 1.00 0.00 N ATOM 1705 CZ ARG B 92 -16.954 5.346 14.895 1.00 0.00 C ATOM 1706 NH1 ARG B 92 -18.067 4.631 14.983 1.00 0.00 N ATOM 1707 NH2 ARG B 92 -16.863 6.503 15.537 1.00 0.00 N ATOM 0 H ARG B 92 -13.865 3.220 9.887 1.00 0.00 H new ATOM 0 HA ARG B 92 -12.517 1.757 12.007 1.00 0.00 H new ATOM 0 HB2 ARG B 92 -15.448 2.053 11.253 1.00 0.00 H new ATOM 0 HB3 ARG B 92 -14.854 1.262 12.700 1.00 0.00 H new ATOM 0 HG2 ARG B 92 -13.811 3.408 13.432 1.00 0.00 H new ATOM 0 HG3 ARG B 92 -14.442 4.193 11.997 1.00 0.00 H new ATOM 0 HD2 ARG B 92 -16.758 3.658 12.703 1.00 0.00 H new ATOM 0 HD3 ARG B 92 -16.146 2.826 14.119 1.00 0.00 H new ATOM 0 HE ARG B 92 -15.093 5.485 14.116 1.00 0.00 H new ATOM 0 HH11 ARG B 92 -18.142 3.741 14.490 1.00 0.00 H new ATOM 0 HH12 ARG B 92 -18.848 4.971 15.544 1.00 0.00 H new ATOM 0 HH21 ARG B 92 -16.009 7.057 15.471 1.00 0.00 H new ATOM 0 HH22 ARG B 92 -17.647 6.839 16.097 1.00 0.00 H new ATOM 1721 N PRO B 93 -12.786 -0.661 11.308 1.00 0.00 N ATOM 1722 CA PRO B 93 -12.755 -2.039 10.799 1.00 0.00 C ATOM 1723 C PRO B 93 -14.133 -2.694 10.743 1.00 0.00 C ATOM 1724 O PRO B 93 -14.470 -3.363 9.764 1.00 0.00 O ATOM 1725 CB PRO B 93 -11.856 -2.779 11.803 1.00 0.00 C ATOM 1726 CG PRO B 93 -11.155 -1.711 12.573 1.00 0.00 C ATOM 1727 CD PRO B 93 -12.100 -0.549 12.606 1.00 0.00 C ATOM 0 HA PRO B 93 -12.393 -2.068 9.771 1.00 0.00 H new ATOM 0 HB2 PRO B 93 -12.446 -3.416 12.463 1.00 0.00 H new ATOM 0 HB3 PRO B 93 -11.143 -3.425 11.290 1.00 0.00 H new ATOM 0 HG2 PRO B 93 -10.914 -2.049 13.581 1.00 0.00 H new ATOM 0 HG3 PRO B 93 -10.214 -1.437 12.095 1.00 0.00 H new ATOM 0 HD2 PRO B 93 -12.797 -0.616 13.441 1.00 0.00 H new ATOM 0 HD3 PRO B 93 -11.573 0.400 12.706 1.00 0.00 H new ATOM 1735 N TRP B 94 -14.930 -2.504 11.792 1.00 0.00 N ATOM 1736 CA TRP B 94 -16.263 -3.102 11.851 1.00 0.00 C ATOM 1737 C TRP B 94 -17.212 -2.476 10.829 1.00 0.00 C ATOM 1738 O TRP B 94 -18.256 -3.050 10.515 1.00 0.00 O ATOM 1739 CB TRP B 94 -16.851 -2.972 13.261 1.00 0.00 C ATOM 1740 CG TRP B 94 -16.914 -1.561 13.766 1.00 0.00 C ATOM 1741 CD1 TRP B 94 -17.704 -0.553 13.292 1.00 0.00 C ATOM 1742 CD2 TRP B 94 -16.164 -1.009 14.853 1.00 0.00 C ATOM 1743 NE1 TRP B 94 -17.485 0.596 14.014 1.00 0.00 N ATOM 1744 CE2 TRP B 94 -16.545 0.341 14.979 1.00 0.00 C ATOM 1745 CE3 TRP B 94 -15.206 -1.522 15.732 1.00 0.00 C ATOM 1746 CZ2 TRP B 94 -16.001 1.183 15.946 1.00 0.00 C ATOM 1747 CZ3 TRP B 94 -14.667 -0.687 16.693 1.00 0.00 C ATOM 1748 CH2 TRP B 94 -15.066 0.652 16.794 1.00 0.00 C ATOM 0 H TRP B 94 -14.679 -1.945 12.608 1.00 0.00 H new ATOM 0 HA TRP B 94 -16.155 -4.158 11.605 1.00 0.00 H new ATOM 0 HB2 TRP B 94 -17.856 -3.394 13.265 1.00 0.00 H new ATOM 0 HB3 TRP B 94 -16.252 -3.568 13.950 1.00 0.00 H new ATOM 0 HD1 TRP B 94 -18.399 -0.645 12.470 1.00 0.00 H new ATOM 0 HE1 TRP B 94 -17.946 1.492 13.857 1.00 0.00 H new ATOM 0 HE3 TRP B 94 -14.892 -2.553 15.662 1.00 0.00 H new ATOM 0 HZ2 TRP B 94 -16.305 2.216 16.024 1.00 0.00 H new ATOM 0 HZ3 TRP B 94 -13.926 -1.073 17.377 1.00 0.00 H new ATOM 0 HH2 TRP B 94 -14.627 1.279 17.556 1.00 0.00 H new ATOM 1759 N GLU B 95 -16.851 -1.307 10.311 1.00 0.00 N ATOM 1760 CA GLU B 95 -17.686 -0.622 9.326 1.00 0.00 C ATOM 1761 C GLU B 95 -17.522 -1.237 7.939 1.00 0.00 C ATOM 1762 O GLU B 95 -18.393 -1.089 7.084 1.00 0.00 O ATOM 1763 CB GLU B 95 -17.354 0.872 9.277 1.00 0.00 C ATOM 1764 CG GLU B 95 -17.836 1.643 10.490 1.00 0.00 C ATOM 1765 CD GLU B 95 -17.785 3.144 10.283 1.00 0.00 C ATOM 1766 OE1 GLU B 95 -18.852 3.745 10.032 1.00 0.00 O ATOM 1767 OE2 GLU B 95 -16.681 3.721 10.369 1.00 0.00 O ATOM 0 H GLU B 95 -15.991 -0.815 10.554 1.00 0.00 H new ATOM 0 HA GLU B 95 -18.724 -0.743 9.636 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -16.275 0.993 9.186 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -17.800 1.305 8.381 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -18.859 1.346 10.722 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -17.224 1.378 11.352 1.00 0.00 H new ATOM 1774 N LYS B 96 -16.403 -1.927 7.730 1.00 0.00 N ATOM 1775 CA LYS B 96 -16.117 -2.567 6.447 1.00 0.00 C ATOM 1776 C LYS B 96 -15.997 -1.534 5.326 1.00 0.00 C ATOM 1777 O LYS B 96 -14.893 -1.164 4.928 1.00 0.00 O ATOM 1778 CB LYS B 96 -17.199 -3.598 6.105 1.00 0.00 C ATOM 1779 CG LYS B 96 -17.212 -4.802 7.037 1.00 0.00 C ATOM 1780 CD LYS B 96 -15.955 -5.647 6.888 1.00 0.00 C ATOM 1781 CE LYS B 96 -15.880 -6.302 5.518 1.00 0.00 C ATOM 1782 NZ LYS B 96 -14.657 -7.138 5.367 1.00 0.00 N ATOM 0 H LYS B 96 -15.677 -2.058 8.435 1.00 0.00 H new ATOM 0 HA LYS B 96 -15.160 -3.080 6.538 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.175 -3.113 6.139 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -17.050 -3.943 5.082 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -17.301 -4.462 8.069 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -18.089 -5.415 6.827 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -15.075 -5.022 7.042 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -15.939 -6.416 7.661 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -16.764 -6.921 5.363 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -15.891 -5.532 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -14.644 -7.566 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -13.813 -6.543 5.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -14.659 -7.889 6.086 1.00 0.00 H new ATOM 1796 N ASP B 97 -17.139 -1.070 4.821 1.00 0.00 N ATOM 1797 CA ASP B 97 -17.153 -0.079 3.750 1.00 0.00 C ATOM 1798 C ASP B 97 -17.960 1.151 4.157 1.00 0.00 C ATOM 1799 O ASP B 97 -19.191 1.136 4.128 1.00 0.00 O ATOM 1800 CB ASP B 97 -17.737 -0.687 2.471 1.00 0.00 C ATOM 1801 CG ASP B 97 -16.938 -1.877 1.978 1.00 0.00 C ATOM 1802 OD1 ASP B 97 -16.002 -1.671 1.175 1.00 0.00 O ATOM 1803 OD2 ASP B 97 -17.246 -3.014 2.395 1.00 0.00 O ATOM 0 H ASP B 97 -18.063 -1.364 5.136 1.00 0.00 H new ATOM 0 HA ASP B 97 -16.125 0.230 3.561 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -18.766 -0.996 2.656 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -17.768 0.074 1.692 1.00 0.00 H new ATOM 1808 N ALA B 98 -17.256 2.213 4.541 1.00 0.00 N ATOM 1809 CA ALA B 98 -17.903 3.454 4.954 1.00 0.00 C ATOM 1810 C ALA B 98 -17.037 4.662 4.611 1.00 0.00 C ATOM 1811 O ALA B 98 -15.956 4.518 4.040 1.00 0.00 O ATOM 1812 CB ALA B 98 -18.203 3.421 6.446 1.00 0.00 C ATOM 0 H ALA B 98 -16.237 2.238 4.575 1.00 0.00 H new ATOM 0 HA ALA B 98 -18.842 3.547 4.409 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -18.686 4.353 6.741 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -18.866 2.584 6.665 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -17.273 3.303 7.002 1.00 0.00 H new ATOM 1818 N GLU B 99 -17.518 5.850 4.962 1.00 0.00 N ATOM 1819 CA GLU B 99 -16.784 7.081 4.689 1.00 0.00 C ATOM 1820 C GLU B 99 -15.656 7.284 5.701 1.00 0.00 C ATOM 1821 O GLU B 99 -15.909 7.499 6.888 1.00 0.00 O ATOM 1822 CB GLU B 99 -17.728 8.285 4.713 1.00 0.00 C ATOM 1823 CG GLU B 99 -18.549 8.428 3.446 1.00 0.00 C ATOM 1824 CD GLU B 99 -19.541 9.574 3.520 1.00 0.00 C ATOM 1825 OE1 GLU B 99 -19.177 10.702 3.128 1.00 0.00 O ATOM 1826 OE2 GLU B 99 -20.683 9.339 3.969 1.00 0.00 O ATOM 0 H GLU B 99 -18.411 5.987 5.435 1.00 0.00 H new ATOM 0 HA GLU B 99 -16.345 6.994 3.695 1.00 0.00 H new ATOM 0 HB2 GLU B 99 -18.401 8.193 5.566 1.00 0.00 H new ATOM 0 HB3 GLU B 99 -17.144 9.193 4.864 1.00 0.00 H new ATOM 0 HG2 GLU B 99 -17.880 8.585 2.600 1.00 0.00 H new ATOM 0 HG3 GLU B 99 -19.087 7.498 3.259 1.00 0.00 H new ATOM 1833 N PRO B 100 -14.392 7.216 5.243 1.00 0.00 N ATOM 1834 CA PRO B 100 -13.226 7.392 6.114 1.00 0.00 C ATOM 1835 C PRO B 100 -12.926 8.860 6.403 1.00 0.00 C ATOM 1836 O PRO B 100 -13.449 9.753 5.735 1.00 0.00 O ATOM 1837 CB PRO B 100 -12.098 6.774 5.293 1.00 0.00 C ATOM 1838 CG PRO B 100 -12.490 7.029 3.879 1.00 0.00 C ATOM 1839 CD PRO B 100 -13.995 6.959 3.843 1.00 0.00 C ATOM 0 HA PRO B 100 -13.372 6.938 7.094 1.00 0.00 H new ATOM 0 HB2 PRO B 100 -11.137 7.232 5.528 1.00 0.00 H new ATOM 0 HB3 PRO B 100 -11.999 5.707 5.492 1.00 0.00 H new ATOM 0 HG2 PRO B 100 -12.137 8.005 3.547 1.00 0.00 H new ATOM 0 HG3 PRO B 100 -12.049 6.287 3.213 1.00 0.00 H new ATOM 0 HD2 PRO B 100 -14.414 7.703 3.165 1.00 0.00 H new ATOM 0 HD3 PRO B 100 -14.342 5.984 3.501 1.00 0.00 H new ATOM 1847 N ALA B 101 -12.084 9.102 7.401 1.00 0.00 N ATOM 1848 CA ALA B 101 -11.708 10.460 7.775 1.00 0.00 C ATOM 1849 C ALA B 101 -10.456 10.905 7.026 1.00 0.00 C ATOM 1850 O ALA B 101 -10.442 11.953 6.381 1.00 0.00 O ATOM 1851 CB ALA B 101 -11.483 10.554 9.277 1.00 0.00 C ATOM 0 H ALA B 101 -11.648 8.374 7.967 1.00 0.00 H new ATOM 0 HA ALA B 101 -12.526 11.125 7.499 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -11.203 11.574 9.540 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -12.400 10.283 9.800 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -10.684 9.872 9.569 1.00 0.00 H new ATOM 1857 N GLU B 102 -9.404 10.097 7.122 1.00 0.00 N ATOM 1858 CA GLU B 102 -8.142 10.400 6.460 1.00 0.00 C ATOM 1859 C GLU B 102 -7.943 9.548 5.217 1.00 0.00 C ATOM 1860 O GLU B 102 -8.884 8.952 4.693 1.00 0.00 O ATOM 1861 CB GLU B 102 -6.973 10.174 7.417 1.00 0.00 C ATOM 1862 CG GLU B 102 -6.542 11.423 8.158 1.00 0.00 C ATOM 1863 CD GLU B 102 -6.340 12.615 7.241 1.00 0.00 C ATOM 1864 OE1 GLU B 102 -7.297 13.397 7.063 1.00 0.00 O ATOM 1865 OE2 GLU B 102 -5.223 12.767 6.702 1.00 0.00 O ATOM 0 H GLU B 102 -9.402 9.226 7.653 1.00 0.00 H new ATOM 0 HA GLU B 102 -8.176 11.447 6.159 1.00 0.00 H new ATOM 0 HB2 GLU B 102 -7.252 9.410 8.143 1.00 0.00 H new ATOM 0 HB3 GLU B 102 -6.124 9.785 6.854 1.00 0.00 H new ATOM 0 HG2 GLU B 102 -7.293 11.671 8.908 1.00 0.00 H new ATOM 0 HG3 GLU B 102 -5.613 11.220 8.692 1.00 0.00 H new ATOM 1872 N SER B 103 -6.696 9.500 4.761 1.00 0.00 N ATOM 1873 CA SER B 103 -6.335 8.727 3.578 1.00 0.00 C ATOM 1874 C SER B 103 -4.827 8.751 3.354 1.00 0.00 C ATOM 1875 O SER B 103 -4.138 9.672 3.797 1.00 0.00 O ATOM 1876 CB SER B 103 -7.052 9.274 2.341 1.00 0.00 C ATOM 1877 OG SER B 103 -6.704 10.627 2.105 1.00 0.00 O ATOM 0 H SER B 103 -5.914 9.990 5.196 1.00 0.00 H new ATOM 0 HA SER B 103 -6.647 7.696 3.742 1.00 0.00 H new ATOM 0 HB2 SER B 103 -6.792 8.672 1.471 1.00 0.00 H new ATOM 0 HB3 SER B 103 -8.130 9.191 2.476 1.00 0.00 H new ATOM 0 HG SER B 103 -7.174 10.952 1.309 1.00 0.00 H new ATOM 1883 N PHE B 104 -4.319 7.734 2.663 1.00 0.00 N ATOM 1884 CA PHE B 104 -2.891 7.642 2.380 1.00 0.00 C ATOM 1885 C PHE B 104 -2.641 6.866 1.089 1.00 0.00 C ATOM 1886 O PHE B 104 -3.308 5.867 0.813 1.00 0.00 O ATOM 1887 CB PHE B 104 -2.160 6.968 3.546 1.00 0.00 C ATOM 1888 CG PHE B 104 -0.666 6.953 3.394 1.00 0.00 C ATOM 1889 CD1 PHE B 104 -0.023 5.857 2.839 1.00 0.00 C ATOM 1890 CD2 PHE B 104 0.097 8.033 3.807 1.00 0.00 C ATOM 1891 CE1 PHE B 104 1.353 5.841 2.698 1.00 0.00 C ATOM 1892 CE2 PHE B 104 1.473 8.024 3.671 1.00 0.00 C ATOM 1893 CZ PHE B 104 2.101 6.925 3.114 1.00 0.00 C ATOM 0 H PHE B 104 -4.874 6.964 2.290 1.00 0.00 H new ATOM 0 HA PHE B 104 -2.504 8.653 2.255 1.00 0.00 H new ATOM 0 HB2 PHE B 104 -2.417 7.484 4.471 1.00 0.00 H new ATOM 0 HB3 PHE B 104 -2.517 5.943 3.643 1.00 0.00 H new ATOM 0 HD1 PHE B 104 -0.603 5.006 2.513 1.00 0.00 H new ATOM 0 HD2 PHE B 104 -0.390 8.894 4.241 1.00 0.00 H new ATOM 0 HE1 PHE B 104 1.842 4.982 2.263 1.00 0.00 H new ATOM 0 HE2 PHE B 104 2.055 8.872 3.999 1.00 0.00 H new ATOM 0 HZ PHE B 104 3.175 6.914 3.004 1.00 0.00 H new ATOM 1903 N SER B 105 -1.677 7.333 0.303 1.00 0.00 N ATOM 1904 CA SER B 105 -1.334 6.687 -0.960 1.00 0.00 C ATOM 1905 C SER B 105 0.075 7.077 -1.396 1.00 0.00 C ATOM 1906 O SER B 105 0.375 8.258 -1.581 1.00 0.00 O ATOM 1907 CB SER B 105 -2.342 7.071 -2.046 1.00 0.00 C ATOM 1908 OG SER B 105 -2.357 8.472 -2.258 1.00 0.00 O ATOM 0 H SER B 105 -1.118 8.158 0.518 1.00 0.00 H new ATOM 0 HA SER B 105 -1.368 5.608 -0.812 1.00 0.00 H new ATOM 0 HB2 SER B 105 -2.090 6.562 -2.976 1.00 0.00 H new ATOM 0 HB3 SER B 105 -3.338 6.733 -1.758 1.00 0.00 H new ATOM 0 HG SER B 105 -1.465 8.839 -2.083 1.00 0.00 H new ATOM 1914 N CYS B 106 0.937 6.078 -1.561 1.00 0.00 N ATOM 1915 CA CYS B 106 2.315 6.321 -1.971 1.00 0.00 C ATOM 1916 C CYS B 106 2.661 5.526 -3.228 1.00 0.00 C ATOM 1917 O CYS B 106 2.262 4.369 -3.371 1.00 0.00 O ATOM 1918 CB CYS B 106 3.274 5.952 -0.835 1.00 0.00 C ATOM 1919 SG CYS B 106 4.816 6.919 -0.821 1.00 0.00 S ATOM 0 H CYS B 106 0.706 5.095 -1.417 1.00 0.00 H new ATOM 0 HA CYS B 106 2.421 7.382 -2.199 1.00 0.00 H new ATOM 0 HB2 CYS B 106 2.762 6.090 0.117 1.00 0.00 H new ATOM 0 HB3 CYS B 106 3.522 4.893 -0.913 1.00 0.00 H new ATOM 1924 N ALA B 107 3.408 6.156 -4.133 1.00 0.00 N ATOM 1925 CA ALA B 107 3.807 5.509 -5.380 1.00 0.00 C ATOM 1926 C ALA B 107 5.034 4.627 -5.175 1.00 0.00 C ATOM 1927 O ALA B 107 5.954 4.983 -4.436 1.00 0.00 O ATOM 1928 CB ALA B 107 4.077 6.554 -6.453 1.00 0.00 C ATOM 0 H ALA B 107 3.748 7.112 -4.026 1.00 0.00 H new ATOM 0 HA ALA B 107 2.986 4.871 -5.708 1.00 0.00 H new ATOM 0 HB1 ALA B 107 4.374 6.058 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA B 107 3.173 7.138 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA B 107 4.878 7.216 -6.123 1.00 0.00 H new ATOM 1934 N ILE B 108 5.041 3.470 -5.836 1.00 0.00 N ATOM 1935 CA ILE B 108 6.144 2.520 -5.726 1.00 0.00 C ATOM 1936 C ILE B 108 6.337 1.754 -7.034 1.00 0.00 C ATOM 1937 O ILE B 108 5.377 1.239 -7.607 1.00 0.00 O ATOM 1938 CB ILE B 108 5.889 1.506 -4.588 1.00 0.00 C ATOM 1939 CG1 ILE B 108 5.767 2.227 -3.242 1.00 0.00 C ATOM 1940 CG2 ILE B 108 7.000 0.464 -4.539 1.00 0.00 C ATOM 1941 CD1 ILE B 108 5.304 1.333 -2.110 1.00 0.00 C ATOM 0 H ILE B 108 4.290 3.168 -6.456 1.00 0.00 H new ATOM 0 HA ILE B 108 7.044 3.094 -5.505 1.00 0.00 H new ATOM 0 HB ILE B 108 4.948 0.994 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE B 108 6.734 2.656 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE B 108 5.068 3.057 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE B 108 6.802 -0.241 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE B 108 7.038 -0.072 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE B 108 7.955 0.959 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE B 108 5.242 1.914 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE B 108 4.322 0.924 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE B 108 6.015 0.517 -1.977 1.00 0.00 H new ATOM 1953 N GLN B 109 7.582 1.679 -7.503 1.00 0.00 N ATOM 1954 CA GLN B 109 7.884 0.964 -8.744 1.00 0.00 C ATOM 1955 C GLN B 109 9.290 0.377 -8.702 1.00 0.00 C ATOM 1956 O GLN B 109 10.275 1.106 -8.784 1.00 0.00 O ATOM 1957 CB GLN B 109 7.746 1.905 -9.944 1.00 0.00 C ATOM 1958 CG GLN B 109 8.023 1.231 -11.281 1.00 0.00 C ATOM 1959 CD GLN B 109 7.931 2.190 -12.453 1.00 0.00 C ATOM 1960 OE1 GLN B 109 7.079 3.202 -12.328 1.00 0.00 O flip ATOM 1961 NE2 GLN B 109 8.618 2.023 -13.462 1.00 0.00 N flip ATOM 0 H GLN B 109 8.392 2.100 -7.048 1.00 0.00 H new ATOM 0 HA GLN B 109 7.171 0.146 -8.848 1.00 0.00 H new ATOM 0 HB2 GLN B 109 6.738 2.319 -9.957 1.00 0.00 H new ATOM 0 HB3 GLN B 109 8.432 2.742 -9.819 1.00 0.00 H new ATOM 0 HG2 GLN B 109 9.018 0.786 -11.259 1.00 0.00 H new ATOM 0 HG3 GLN B 109 7.313 0.417 -11.427 1.00 0.00 H new ATOM 0 HE21 GLN B 109 9.260 1.232 -13.517 1.00 0.00 H new ATOM 0 HE22 GLN B 109 8.545 2.675 -14.243 1.00 0.00 H new ATOM 1970 N VAL B 110 9.379 -0.947 -8.583 1.00 0.00 N ATOM 1971 CA VAL B 110 10.674 -1.616 -8.528 1.00 0.00 C ATOM 1972 C VAL B 110 11.487 -1.348 -9.796 1.00 0.00 C ATOM 1973 O VAL B 110 12.225 -0.364 -9.868 1.00 0.00 O ATOM 1974 CB VAL B 110 10.522 -3.140 -8.323 1.00 0.00 C ATOM 1975 CG1 VAL B 110 11.884 -3.808 -8.219 1.00 0.00 C ATOM 1976 CG2 VAL B 110 9.690 -3.430 -7.081 1.00 0.00 C ATOM 0 H VAL B 110 8.575 -1.572 -8.523 1.00 0.00 H new ATOM 0 HA VAL B 110 11.206 -1.204 -7.670 1.00 0.00 H new ATOM 0 HB VAL B 110 10.005 -3.551 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL B 110 11.753 -4.880 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL B 110 12.447 -3.631 -9.135 1.00 0.00 H new ATOM 0 HG13 VAL B 110 12.430 -3.392 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL B 110 9.593 -4.508 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL B 110 10.180 -3.002 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL B 110 8.700 -2.988 -7.195 1.00 0.00 H new ATOM 1986 N ARG B 111 11.351 -2.222 -10.790 1.00 0.00 N ATOM 1987 CA ARG B 111 12.067 -2.065 -12.047 1.00 0.00 C ATOM 1988 C ARG B 111 11.131 -1.577 -13.150 1.00 0.00 C ATOM 1989 O ARG B 111 10.506 -2.431 -13.816 1.00 0.00 O ATOM 1990 CB ARG B 111 12.710 -3.390 -12.454 1.00 0.00 C ATOM 1991 CG ARG B 111 13.856 -3.813 -11.558 1.00 0.00 C ATOM 1992 CD ARG B 111 15.011 -2.852 -11.691 1.00 0.00 C ATOM 1993 NE ARG B 111 16.113 -3.178 -10.788 1.00 0.00 N ATOM 1994 CZ ARG B 111 17.198 -2.422 -10.645 1.00 0.00 C ATOM 1995 NH1 ARG B 111 17.327 -1.300 -11.341 1.00 0.00 N ATOM 1996 NH2 ARG B 111 18.156 -2.787 -9.803 1.00 0.00 N ATOM 1997 OXT ARG B 111 11.031 -0.346 -13.338 1.00 0.00 O ATOM 0 H ARG B 111 10.751 -3.046 -10.747 1.00 0.00 H new ATOM 0 HA ARG B 111 12.847 -1.318 -11.904 1.00 0.00 H new ATOM 0 HB2 ARG B 111 11.949 -4.170 -12.447 1.00 0.00 H new ATOM 0 HB3 ARG B 111 13.073 -3.308 -13.478 1.00 0.00 H new ATOM 0 HG2 ARG B 111 13.521 -3.848 -10.521 1.00 0.00 H new ATOM 0 HG3 ARG B 111 14.180 -4.820 -11.822 1.00 0.00 H new ATOM 0 HD2 ARG B 111 15.372 -2.862 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG B 111 14.663 -1.840 -11.485 1.00 0.00 H new ATOM 0 HE ARG B 111 16.046 -4.033 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG B 111 16.593 -1.014 -11.989 1.00 0.00 H new ATOM 0 HH12 ARG B 111 18.161 -0.723 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG B 111 18.061 -3.648 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG B 111 18.988 -2.207 -9.694 1.00 0.00 H new