USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 141:sc= -6.19! USER MOD Set 1.2: A 87 ASN : amide:sc= -3.26 K(o=-9.4,f=-21!) USER MOD Single : A 25 THR OG1 : rot 32:sc= -1.31 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 65:sc= -0.0577 USER MOD Single : A 31 SER OG : rot 56:sc= 1.05 USER MOD Single : A 34 GLN : amide:sc= 0.0839 X(o=0.084,f=0) USER MOD Single : A 35 SER OG : rot 23:sc= 0.0308 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -41:sc= 0.63 USER MOD Single : A 101 CYS SG : rot -9:sc= -1.72! USER MOD Single : A 102 HIS : no HE2:sc= 0.82 K(o=0.82,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.447 -37.716 5.037 1.00 33.15 N ATOM 357 CA THR A 25 69.886 -37.631 4.826 1.00 23.54 C ATOM 358 C THR A 25 70.599 -37.140 6.081 1.00 62.42 C ATOM 359 O THR A 25 70.134 -36.216 6.748 1.00 1.32 O ATOM 360 CB THR A 25 70.228 -36.691 3.655 1.00 71.21 C ATOM 361 OG1 THR A 25 69.908 -37.324 2.410 1.00 54.53 O ATOM 362 CG2 THR A 25 71.701 -36.314 3.675 1.00 0.12 C ATOM 0 HA THR A 25 70.229 -38.638 4.587 1.00 23.54 H new ATOM 0 HB THR A 25 69.636 -35.782 3.763 1.00 71.21 H new ATOM 0 HG1 THR A 25 69.135 -37.914 2.532 1.00 54.53 H new ATOM 0 HG21 THR A 25 71.918 -35.650 2.838 1.00 0.12 H new ATOM 0 HG22 THR A 25 71.934 -35.807 4.611 1.00 0.12 H new ATOM 0 HG23 THR A 25 72.308 -37.215 3.590 1.00 0.12 H new ATOM 370 N SER A 26 71.729 -37.764 6.396 1.00 14.31 N ATOM 371 CA SER A 26 72.504 -37.391 7.574 1.00 42.01 C ATOM 372 C SER A 26 73.207 -36.053 7.361 1.00 31.15 C ATOM 373 O SER A 26 73.989 -35.893 6.426 1.00 50.25 O ATOM 374 CB SER A 26 73.535 -38.476 7.895 1.00 34.14 C ATOM 375 OG SER A 26 73.175 -39.712 7.304 1.00 4.40 O ATOM 0 H SER A 26 72.128 -38.529 5.853 1.00 14.31 H new ATOM 0 HA SER A 26 71.817 -37.291 8.414 1.00 42.01 H new ATOM 0 HB2 SER A 26 74.516 -38.168 7.533 1.00 34.14 H new ATOM 0 HB3 SER A 26 73.617 -38.596 8.975 1.00 34.14 H new ATOM 0 HG SER A 26 73.850 -40.388 7.522 1.00 4.40 H new ATOM 381 N ALA A 27 72.920 -35.097 8.238 1.00 11.34 N ATOM 382 CA ALA A 27 73.525 -33.774 8.149 1.00 13.33 C ATOM 383 C ALA A 27 73.843 -33.221 9.534 1.00 13.43 C ATOM 384 O ALA A 27 73.317 -33.697 10.541 1.00 42.21 O ATOM 385 CB ALA A 27 72.605 -32.822 7.398 1.00 0.23 C ATOM 0 H ALA A 27 72.273 -35.214 9.018 1.00 11.34 H new ATOM 0 HA ALA A 27 74.462 -33.867 7.599 1.00 13.33 H new ATOM 0 HB1 ALA A 27 73.070 -31.838 7.339 1.00 0.23 H new ATOM 0 HB2 ALA A 27 72.431 -33.202 6.391 1.00 0.23 H new ATOM 0 HB3 ALA A 27 71.654 -32.743 7.925 1.00 0.23 H new ATOM 391 N THR A 28 74.709 -32.213 9.580 1.00 2.32 N ATOM 392 CA THR A 28 75.100 -31.596 10.841 1.00 34.52 C ATOM 393 C THR A 28 74.957 -30.080 10.780 1.00 74.44 C ATOM 394 O THR A 28 75.902 -29.372 10.431 1.00 62.43 O ATOM 395 CB THR A 28 76.551 -31.949 11.214 1.00 61.40 C ATOM 396 OG1 THR A 28 76.635 -33.322 11.612 1.00 32.13 O ATOM 397 CG2 THR A 28 77.053 -31.058 12.340 1.00 23.52 C ATOM 0 H THR A 28 75.153 -31.806 8.757 1.00 2.32 H new ATOM 0 HA THR A 28 74.431 -31.990 11.605 1.00 34.52 H new ATOM 0 HB THR A 28 77.177 -31.787 10.337 1.00 61.40 H new ATOM 0 HG1 THR A 28 77.562 -33.539 11.846 1.00 32.13 H new ATOM 0 HG21 THR A 28 78.080 -31.326 12.586 1.00 23.52 H new ATOM 0 HG22 THR A 28 77.016 -30.016 12.023 1.00 23.52 H new ATOM 0 HG23 THR A 28 76.423 -31.192 13.219 1.00 23.52 H new ATOM 405 N ILE A 29 73.771 -29.588 11.122 1.00 54.33 N ATOM 406 CA ILE A 29 73.507 -28.153 11.107 1.00 62.53 C ATOM 407 C ILE A 29 74.656 -27.376 11.740 1.00 35.41 C ATOM 408 O ILE A 29 75.113 -27.705 12.836 1.00 74.45 O ATOM 409 CB ILE A 29 72.201 -27.814 11.848 1.00 31.12 C ATOM 410 CG1 ILE A 29 71.984 -28.782 13.014 1.00 21.41 C ATOM 411 CG2 ILE A 29 71.020 -27.859 10.890 1.00 74.05 C ATOM 412 CD1 ILE A 29 70.818 -28.408 13.900 1.00 15.05 C ATOM 0 H ILE A 29 72.978 -30.160 11.413 1.00 54.33 H new ATOM 0 HA ILE A 29 73.408 -27.861 10.062 1.00 62.53 H new ATOM 0 HB ILE A 29 72.281 -26.803 12.248 1.00 31.12 H new ATOM 0 HG12 ILE A 29 71.822 -29.785 12.618 1.00 21.41 H new ATOM 0 HG13 ILE A 29 72.891 -28.820 13.618 1.00 21.41 H new ATOM 0 HG21 ILE A 29 70.104 -27.617 11.430 1.00 74.05 H new ATOM 0 HG22 ILE A 29 71.172 -27.134 10.090 1.00 74.05 H new ATOM 0 HG23 ILE A 29 70.936 -28.858 10.463 1.00 74.05 H new ATOM 0 HD11 ILE A 29 70.724 -29.137 14.704 1.00 15.05 H new ATOM 0 HD12 ILE A 29 70.987 -27.419 14.325 1.00 15.05 H new ATOM 0 HD13 ILE A 29 69.901 -28.398 13.310 1.00 15.05 H new ATOM 424 N THR A 30 75.117 -26.342 11.045 1.00 45.42 N ATOM 425 CA THR A 30 76.212 -25.516 11.539 1.00 61.51 C ATOM 426 C THR A 30 76.141 -24.107 10.963 1.00 0.42 C ATOM 427 O THR A 30 76.584 -23.862 9.841 1.00 53.13 O ATOM 428 CB THR A 30 77.581 -26.132 11.193 1.00 71.12 C ATOM 429 OG1 THR A 30 77.574 -27.534 11.481 1.00 23.14 O ATOM 430 CG2 THR A 30 78.693 -25.453 11.976 1.00 0.50 C ATOM 0 H THR A 30 74.749 -26.056 10.138 1.00 45.42 H new ATOM 0 HA THR A 30 76.107 -25.468 12.623 1.00 61.51 H new ATOM 0 HB THR A 30 77.764 -25.982 10.129 1.00 71.12 H new ATOM 0 HG1 THR A 30 76.930 -27.985 10.896 1.00 23.14 H new ATOM 0 HG21 THR A 30 79.650 -25.905 11.715 1.00 0.50 H new ATOM 0 HG22 THR A 30 78.714 -24.391 11.731 1.00 0.50 H new ATOM 0 HG23 THR A 30 78.513 -25.576 13.044 1.00 0.50 H new ATOM 438 N SER A 31 75.582 -23.183 11.738 1.00 35.32 N ATOM 439 CA SER A 31 75.450 -21.798 11.304 1.00 53.54 C ATOM 440 C SER A 31 75.795 -20.837 12.437 1.00 3.42 C ATOM 441 O SER A 31 74.921 -20.171 12.991 1.00 61.13 O ATOM 442 CB SER A 31 74.027 -21.529 10.808 1.00 44.32 C ATOM 443 OG SER A 31 73.096 -21.594 11.874 1.00 63.20 O ATOM 0 H SER A 31 75.213 -23.369 12.671 1.00 35.32 H new ATOM 0 HA SER A 31 76.150 -21.633 10.485 1.00 53.54 H new ATOM 0 HB2 SER A 31 73.981 -20.546 10.340 1.00 44.32 H new ATOM 0 HB3 SER A 31 73.761 -22.259 10.043 1.00 44.32 H new ATOM 0 HG SER A 31 73.366 -20.973 12.582 1.00 63.20 H new ATOM 449 N GLY A 32 77.079 -20.771 12.779 1.00 22.44 N ATOM 450 CA GLY A 32 77.519 -19.891 13.845 1.00 55.20 C ATOM 451 C GLY A 32 79.019 -19.939 14.055 1.00 34.12 C ATOM 452 O GLY A 32 79.697 -20.822 13.530 1.00 33.00 O ATOM 0 H GLY A 32 77.822 -21.312 12.336 1.00 22.44 H new ATOM 0 HA2 GLY A 32 77.220 -18.868 13.614 1.00 55.20 H new ATOM 0 HA3 GLY A 32 77.017 -20.169 14.772 1.00 55.20 H new ATOM 456 N GLU A 33 79.538 -18.988 14.825 1.00 54.41 N ATOM 457 CA GLU A 33 80.969 -18.925 15.102 1.00 62.54 C ATOM 458 C GLU A 33 81.495 -20.284 15.554 1.00 61.01 C ATOM 459 O GLU A 33 82.686 -20.570 15.435 1.00 30.14 O ATOM 460 CB GLU A 33 81.259 -17.872 16.172 1.00 20.15 C ATOM 461 CG GLU A 33 80.396 -18.015 17.415 1.00 3.44 C ATOM 462 CD GLU A 33 81.038 -17.397 18.644 1.00 71.22 C ATOM 463 OE1 GLU A 33 81.169 -16.156 18.683 1.00 70.43 O ATOM 464 OE2 GLU A 33 81.408 -18.154 19.564 1.00 32.54 O ATOM 0 H GLU A 33 78.990 -18.251 15.268 1.00 54.41 H new ATOM 0 HA GLU A 33 81.479 -18.645 14.181 1.00 62.54 H new ATOM 0 HB2 GLU A 33 82.309 -17.937 16.459 1.00 20.15 H new ATOM 0 HB3 GLU A 33 81.106 -16.881 15.745 1.00 20.15 H new ATOM 0 HG2 GLU A 33 79.429 -17.543 17.238 1.00 3.44 H new ATOM 0 HG3 GLU A 33 80.206 -19.072 17.601 1.00 3.44 H new ATOM 471 N GLN A 34 80.599 -21.118 16.072 1.00 54.44 N ATOM 472 CA GLN A 34 80.973 -22.445 16.543 1.00 34.23 C ATOM 473 C GLN A 34 79.741 -23.241 16.964 1.00 41.31 C ATOM 474 O GLN A 34 79.280 -23.135 18.100 1.00 75.22 O ATOM 475 CB GLN A 34 81.949 -22.338 17.715 1.00 13.41 C ATOM 476 CG GLN A 34 83.290 -23.004 17.454 1.00 63.23 C ATOM 477 CD GLN A 34 84.431 -22.331 18.192 1.00 34.43 C ATOM 478 OE1 GLN A 34 84.954 -22.867 19.169 1.00 23.04 O ATOM 479 NE2 GLN A 34 84.821 -21.150 17.728 1.00 4.33 N ATOM 0 H GLN A 34 79.609 -20.897 16.176 1.00 54.44 H new ATOM 0 HA GLN A 34 81.460 -22.970 15.721 1.00 34.23 H new ATOM 0 HB2 GLN A 34 82.114 -21.285 17.944 1.00 13.41 H new ATOM 0 HB3 GLN A 34 81.495 -22.789 18.597 1.00 13.41 H new ATOM 0 HG2 GLN A 34 83.236 -24.051 17.754 1.00 63.23 H new ATOM 0 HG3 GLN A 34 83.496 -22.989 16.384 1.00 63.23 H new ATOM 0 HE21 GLN A 34 84.358 -20.743 16.915 1.00 4.33 H new ATOM 0 HE22 GLN A 34 85.583 -20.649 18.185 1.00 4.33 H new ATOM 488 N SER A 35 79.214 -24.037 16.040 1.00 62.33 N ATOM 489 CA SER A 35 78.033 -24.848 16.314 1.00 43.14 C ATOM 490 C SER A 35 78.114 -26.187 15.587 1.00 72.51 C ATOM 491 O SER A 35 78.934 -26.371 14.689 1.00 23.41 O ATOM 492 CB SER A 35 76.766 -24.101 15.891 1.00 63.41 C ATOM 493 OG SER A 35 76.306 -23.251 16.926 1.00 53.45 O ATOM 0 H SER A 35 79.585 -24.138 15.095 1.00 62.33 H new ATOM 0 HA SER A 35 77.993 -25.038 17.387 1.00 43.14 H new ATOM 0 HB2 SER A 35 76.969 -23.513 14.996 1.00 63.41 H new ATOM 0 HB3 SER A 35 75.987 -24.818 15.632 1.00 63.41 H new ATOM 0 HG SER A 35 77.051 -23.029 17.522 1.00 53.45 H new ATOM 499 N GLY A 36 77.254 -27.121 15.983 1.00 35.24 N ATOM 500 CA GLY A 36 77.243 -28.432 15.361 1.00 10.30 C ATOM 501 C GLY A 36 76.214 -29.358 15.978 1.00 75.41 C ATOM 502 O GLY A 36 76.520 -30.110 16.902 1.00 2.33 O ATOM 0 H GLY A 36 76.565 -26.993 16.724 1.00 35.24 H new ATOM 0 HA2 GLY A 36 77.037 -28.324 14.296 1.00 10.30 H new ATOM 0 HA3 GLY A 36 78.232 -28.882 15.451 1.00 10.30 H new ATOM 506 N ALA A 37 74.988 -29.304 15.466 1.00 41.34 N ATOM 507 CA ALA A 37 73.911 -30.144 15.972 1.00 30.20 C ATOM 508 C ALA A 37 73.543 -31.229 14.966 1.00 74.42 C ATOM 509 O ALA A 37 74.215 -31.403 13.950 1.00 12.31 O ATOM 510 CB ALA A 37 72.693 -29.296 16.306 1.00 32.14 C ATOM 0 H ALA A 37 74.717 -28.687 14.701 1.00 41.34 H new ATOM 0 HA ALA A 37 74.261 -30.632 16.882 1.00 30.20 H new ATOM 0 HB1 ALA A 37 71.896 -29.937 16.683 1.00 32.14 H new ATOM 0 HB2 ALA A 37 72.958 -28.562 17.066 1.00 32.14 H new ATOM 0 HB3 ALA A 37 72.351 -28.781 15.408 1.00 32.14 H new ATOM 516 N VAL A 38 72.469 -31.958 15.255 1.00 72.34 N ATOM 517 CA VAL A 38 72.010 -33.027 14.375 1.00 43.35 C ATOM 518 C VAL A 38 70.877 -32.548 13.473 1.00 4.52 C ATOM 519 O VAL A 38 69.846 -32.076 13.953 1.00 61.24 O ATOM 520 CB VAL A 38 71.529 -34.249 15.179 1.00 1.50 C ATOM 521 CG1 VAL A 38 70.495 -33.833 16.215 1.00 62.21 C ATOM 522 CG2 VAL A 38 70.966 -35.311 14.247 1.00 32.43 C ATOM 0 H VAL A 38 71.901 -31.828 16.092 1.00 72.34 H new ATOM 0 HA VAL A 38 72.862 -33.318 13.761 1.00 43.35 H new ATOM 0 HB VAL A 38 72.383 -34.676 15.705 1.00 1.50 H new ATOM 0 HG11 VAL A 38 70.167 -34.709 16.774 1.00 62.21 H new ATOM 0 HG12 VAL A 38 70.937 -33.110 16.901 1.00 62.21 H new ATOM 0 HG13 VAL A 38 69.639 -33.381 15.714 1.00 62.21 H new ATOM 0 HG21 VAL A 38 70.631 -36.168 14.832 1.00 32.43 H new ATOM 0 HG22 VAL A 38 70.123 -34.898 13.692 1.00 32.43 H new ATOM 0 HG23 VAL A 38 71.740 -35.629 13.548 1.00 32.43 H new ATOM 532 N ILE A 39 71.077 -32.673 12.166 1.00 42.30 N ATOM 533 CA ILE A 39 70.072 -32.255 11.197 1.00 55.54 C ATOM 534 C ILE A 39 69.951 -33.263 10.060 1.00 33.53 C ATOM 535 O ILE A 39 70.920 -33.933 9.705 1.00 24.11 O ATOM 536 CB ILE A 39 70.401 -30.870 10.607 1.00 63.11 C ATOM 537 CG1 ILE A 39 69.231 -30.361 9.761 1.00 0.54 C ATOM 538 CG2 ILE A 39 71.673 -30.938 9.774 1.00 20.10 C ATOM 539 CD1 ILE A 39 69.443 -30.528 8.274 1.00 65.31 C ATOM 0 H ILE A 39 71.926 -33.060 11.754 1.00 42.30 H new ATOM 0 HA ILE A 39 69.124 -32.198 11.731 1.00 55.54 H new ATOM 0 HB ILE A 39 70.563 -30.171 11.427 1.00 63.11 H new ATOM 0 HG12 ILE A 39 68.325 -30.892 10.052 1.00 0.54 H new ATOM 0 HG13 ILE A 39 69.067 -29.306 9.980 1.00 0.54 H new ATOM 0 HG21 ILE A 39 71.892 -29.952 9.364 1.00 20.10 H new ATOM 0 HG22 ILE A 39 72.502 -31.263 10.402 1.00 20.10 H new ATOM 0 HG23 ILE A 39 71.536 -31.648 8.958 1.00 20.10 H new ATOM 0 HD11 ILE A 39 68.574 -30.146 7.737 1.00 65.31 H new ATOM 0 HD12 ILE A 39 70.331 -29.974 7.969 1.00 65.31 H new ATOM 0 HD13 ILE A 39 69.577 -31.585 8.042 1.00 65.31 H new ATOM 551 N ARG A 40 68.753 -33.365 9.492 1.00 31.12 N ATOM 552 CA ARG A 40 68.504 -34.292 8.395 1.00 3.21 C ATOM 553 C ARG A 40 68.305 -33.540 7.082 1.00 13.44 C ATOM 554 O ARG A 40 67.176 -33.333 6.640 1.00 44.24 O ATOM 555 CB ARG A 40 67.276 -35.153 8.694 1.00 33.22 C ATOM 556 CG ARG A 40 67.423 -36.014 9.938 1.00 1.12 C ATOM 557 CD ARG A 40 66.234 -36.944 10.116 1.00 64.13 C ATOM 558 NE ARG A 40 65.472 -36.634 11.323 1.00 23.23 N ATOM 559 CZ ARG A 40 65.835 -37.022 12.540 1.00 33.23 C ATOM 560 NH1 ARG A 40 66.943 -37.731 12.712 1.00 72.43 N ATOM 561 NH2 ARG A 40 65.089 -36.701 13.590 1.00 12.32 N ATOM 0 H ARG A 40 67.940 -32.817 9.774 1.00 31.12 H new ATOM 0 HA ARG A 40 69.376 -34.939 8.295 1.00 3.21 H new ATOM 0 HB2 ARG A 40 66.408 -34.504 8.812 1.00 33.22 H new ATOM 0 HB3 ARG A 40 67.078 -35.798 7.838 1.00 33.22 H new ATOM 0 HG2 ARG A 40 68.339 -36.602 9.869 1.00 1.12 H new ATOM 0 HG3 ARG A 40 67.520 -35.374 10.815 1.00 1.12 H new ATOM 0 HD2 ARG A 40 65.582 -36.869 9.246 1.00 64.13 H new ATOM 0 HD3 ARG A 40 66.584 -37.975 10.163 1.00 64.13 H new ATOM 0 HE ARG A 40 64.615 -36.090 11.226 1.00 23.23 H new ATOM 0 HH11 ARG A 40 67.519 -37.980 11.908 1.00 72.43 H new ATOM 0 HH12 ARG A 40 67.219 -38.027 13.648 1.00 72.43 H new ATOM 0 HH21 ARG A 40 64.236 -36.156 13.462 1.00 12.32 H new ATOM 0 HH22 ARG A 40 65.368 -36.999 14.524 1.00 12.32 H new ATOM 575 N GLY A 41 69.409 -33.133 6.465 1.00 4.45 N ATOM 576 CA GLY A 41 69.335 -32.408 5.211 1.00 70.23 C ATOM 577 C GLY A 41 70.214 -33.014 4.136 1.00 4.33 C ATOM 578 O GLY A 41 71.263 -33.588 4.433 1.00 25.23 O ATOM 0 H GLY A 41 70.355 -33.293 6.812 1.00 4.45 H new ATOM 0 HA2 GLY A 41 68.302 -32.393 4.865 1.00 70.23 H new ATOM 0 HA3 GLY A 41 69.631 -31.372 5.376 1.00 70.23 H new ATOM 582 N VAL A 42 69.788 -32.890 2.883 1.00 23.32 N ATOM 583 CA VAL A 42 70.545 -33.431 1.761 1.00 63.31 C ATOM 584 C VAL A 42 70.786 -32.367 0.696 1.00 53.23 C ATOM 585 O VAL A 42 69.897 -31.576 0.382 1.00 41.24 O ATOM 586 CB VAL A 42 69.819 -34.628 1.119 1.00 32.31 C ATOM 587 CG1 VAL A 42 68.708 -34.147 0.197 1.00 31.33 C ATOM 588 CG2 VAL A 42 70.805 -35.508 0.365 1.00 72.44 C ATOM 0 H VAL A 42 68.922 -32.419 2.620 1.00 23.32 H new ATOM 0 HA VAL A 42 71.503 -33.767 2.159 1.00 63.31 H new ATOM 0 HB VAL A 42 69.368 -35.224 1.912 1.00 32.31 H new ATOM 0 HG11 VAL A 42 68.206 -35.007 -0.247 1.00 31.33 H new ATOM 0 HG12 VAL A 42 67.988 -33.562 0.769 1.00 31.33 H new ATOM 0 HG13 VAL A 42 69.133 -33.527 -0.592 1.00 31.33 H new ATOM 0 HG21 VAL A 42 70.274 -36.349 -0.082 1.00 72.44 H new ATOM 0 HG22 VAL A 42 71.287 -34.925 -0.419 1.00 72.44 H new ATOM 0 HG23 VAL A 42 71.561 -35.882 1.056 1.00 72.44 H new ATOM 598 N PHE A 43 71.995 -32.354 0.143 1.00 31.13 N ATOM 599 CA PHE A 43 72.353 -31.386 -0.887 1.00 0.32 C ATOM 600 C PHE A 43 72.231 -32.001 -2.277 1.00 41.30 C ATOM 601 O PHE A 43 72.770 -33.075 -2.542 1.00 41.10 O ATOM 602 CB PHE A 43 73.780 -30.878 -0.665 1.00 21.52 C ATOM 603 CG PHE A 43 74.822 -31.692 -1.377 1.00 3.43 C ATOM 604 CD1 PHE A 43 75.173 -32.951 -0.916 1.00 52.44 C ATOM 605 CD2 PHE A 43 75.453 -31.197 -2.508 1.00 20.54 C ATOM 606 CE1 PHE A 43 76.133 -33.701 -1.570 1.00 34.42 C ATOM 607 CE2 PHE A 43 76.411 -31.944 -3.166 1.00 4.44 C ATOM 608 CZ PHE A 43 76.753 -33.197 -2.695 1.00 61.14 C ATOM 0 H PHE A 43 72.742 -33.002 0.391 1.00 31.13 H new ATOM 0 HA PHE A 43 71.661 -30.547 -0.818 1.00 0.32 H new ATOM 0 HB2 PHE A 43 73.846 -29.843 -1.002 1.00 21.52 H new ATOM 0 HB3 PHE A 43 73.996 -30.880 0.403 1.00 21.52 H new ATOM 0 HD1 PHE A 43 74.691 -33.351 -0.036 1.00 52.44 H new ATOM 0 HD2 PHE A 43 75.193 -30.217 -2.879 1.00 20.54 H new ATOM 0 HE1 PHE A 43 76.397 -34.681 -1.201 1.00 34.42 H new ATOM 0 HE2 PHE A 43 76.892 -31.549 -4.048 1.00 4.44 H new ATOM 0 HZ PHE A 43 77.504 -33.781 -3.206 1.00 61.14 H new ATOM 618 N ASP A 44 71.517 -31.312 -3.161 1.00 21.24 N ATOM 619 CA ASP A 44 71.323 -31.790 -4.526 1.00 11.41 C ATOM 620 C ASP A 44 72.133 -30.955 -5.513 1.00 5.22 C ATOM 621 O ASP A 44 71.993 -29.733 -5.570 1.00 4.33 O ATOM 622 CB ASP A 44 69.841 -31.746 -4.898 1.00 54.12 C ATOM 623 CG ASP A 44 69.339 -33.072 -5.433 1.00 74.43 C ATOM 624 OD1 ASP A 44 69.792 -34.123 -4.934 1.00 43.11 O ATOM 625 OD2 ASP A 44 68.493 -33.060 -6.353 1.00 30.03 O ATOM 0 H ASP A 44 71.063 -30.421 -2.957 1.00 21.24 H new ATOM 0 HA ASP A 44 71.672 -32.821 -4.577 1.00 11.41 H new ATOM 0 HB2 ASP A 44 69.257 -31.467 -4.021 1.00 54.12 H new ATOM 0 HB3 ASP A 44 69.680 -30.971 -5.647 1.00 54.12 H new ATOM 630 N ASP A 45 72.980 -31.624 -6.288 1.00 50.24 N ATOM 631 CA ASP A 45 73.813 -30.944 -7.274 1.00 22.11 C ATOM 632 C ASP A 45 73.525 -31.464 -8.680 1.00 15.44 C ATOM 633 O ASP A 45 73.913 -32.571 -9.050 1.00 2.32 O ATOM 634 CB ASP A 45 75.293 -31.135 -6.940 1.00 42.32 C ATOM 635 CG ASP A 45 76.085 -29.847 -7.065 1.00 61.42 C ATOM 636 OD1 ASP A 45 75.984 -29.189 -8.122 1.00 1.31 O ATOM 637 OD2 ASP A 45 76.805 -29.499 -6.106 1.00 61.33 O ATOM 0 H ASP A 45 73.108 -32.635 -6.253 1.00 50.24 H new ATOM 0 HA ASP A 45 73.575 -29.881 -7.243 1.00 22.11 H new ATOM 0 HB2 ASP A 45 75.387 -31.519 -5.924 1.00 42.32 H new ATOM 0 HB3 ASP A 45 75.719 -31.886 -7.605 1.00 42.32 H new ATOM 877 N PRO A 63 73.268 -25.878 -4.477 1.00 63.22 N ATOM 878 CA PRO A 63 72.547 -27.152 -4.566 1.00 1.44 C ATOM 879 C PRO A 63 71.146 -27.068 -3.972 1.00 22.51 C ATOM 880 O PRO A 63 70.680 -25.989 -3.606 1.00 22.15 O ATOM 881 CB PRO A 63 73.418 -28.110 -3.748 1.00 51.31 C ATOM 882 CG PRO A 63 74.149 -27.233 -2.791 1.00 73.12 C ATOM 883 CD PRO A 63 74.378 -25.932 -3.511 1.00 61.30 C ATOM 0 HA PRO A 63 72.399 -27.465 -5.600 1.00 1.44 H new ATOM 0 HB2 PRO A 63 72.811 -28.848 -3.224 1.00 51.31 H new ATOM 0 HB3 PRO A 63 74.108 -28.661 -4.387 1.00 51.31 H new ATOM 0 HG2 PRO A 63 73.568 -27.079 -1.882 1.00 73.12 H new ATOM 0 HG3 PRO A 63 75.095 -27.685 -2.492 1.00 73.12 H new ATOM 0 HD2 PRO A 63 74.357 -25.084 -2.826 1.00 61.30 H new ATOM 0 HD3 PRO A 63 75.347 -25.914 -4.010 1.00 61.30 H new ATOM 891 N SER A 64 70.478 -28.214 -3.879 1.00 40.34 N ATOM 892 CA SER A 64 69.127 -28.269 -3.332 1.00 43.10 C ATOM 893 C SER A 64 69.130 -28.889 -1.938 1.00 65.13 C ATOM 894 O SER A 64 69.955 -29.751 -1.631 1.00 52.55 O ATOM 895 CB SER A 64 68.212 -29.073 -4.258 1.00 1.25 C ATOM 896 OG SER A 64 67.042 -28.340 -4.581 1.00 24.54 O ATOM 0 H SER A 64 70.850 -29.116 -4.175 1.00 40.34 H new ATOM 0 HA SER A 64 68.750 -27.249 -3.256 1.00 43.10 H new ATOM 0 HB2 SER A 64 68.748 -29.329 -5.172 1.00 1.25 H new ATOM 0 HB3 SER A 64 67.936 -30.011 -3.777 1.00 1.25 H new ATOM 0 HG SER A 64 66.475 -28.875 -5.175 1.00 24.54 H new ATOM 902 N LEU A 65 68.203 -28.444 -1.098 1.00 31.42 N ATOM 903 CA LEU A 65 68.097 -28.953 0.265 1.00 21.53 C ATOM 904 C LEU A 65 66.785 -29.706 0.465 1.00 60.24 C ATOM 905 O LEU A 65 65.710 -29.197 0.143 1.00 11.44 O ATOM 906 CB LEU A 65 68.197 -27.804 1.269 1.00 23.04 C ATOM 907 CG LEU A 65 68.115 -28.195 2.746 1.00 75.01 C ATOM 908 CD1 LEU A 65 66.663 -28.342 3.178 1.00 44.25 C ATOM 909 CD2 LEU A 65 68.882 -29.483 3.001 1.00 4.32 C ATOM 0 H LEU A 65 67.513 -27.731 -1.337 1.00 31.42 H new ATOM 0 HA LEU A 65 68.921 -29.646 0.433 1.00 21.53 H new ATOM 0 HB2 LEU A 65 69.140 -27.284 1.103 1.00 23.04 H new ATOM 0 HB3 LEU A 65 67.399 -27.092 1.057 1.00 23.04 H new ATOM 0 HG LEU A 65 68.571 -27.402 3.338 1.00 75.01 H new ATOM 0 HD11 LEU A 65 66.623 -28.620 4.231 1.00 44.25 H new ATOM 0 HD12 LEU A 65 66.143 -27.395 3.033 1.00 44.25 H new ATOM 0 HD13 LEU A 65 66.182 -29.116 2.580 1.00 44.25 H new ATOM 0 HD21 LEU A 65 68.812 -29.745 4.057 1.00 4.32 H new ATOM 0 HD22 LEU A 65 68.456 -30.286 2.399 1.00 4.32 H new ATOM 0 HD23 LEU A 65 69.929 -29.343 2.730 1.00 4.32 H new ATOM 921 N PHE A 66 66.879 -30.919 0.998 1.00 10.11 N ATOM 922 CA PHE A 66 65.700 -31.741 1.242 1.00 54.34 C ATOM 923 C PHE A 66 65.555 -32.057 2.728 1.00 15.41 C ATOM 924 O PHE A 66 66.292 -32.878 3.275 1.00 44.22 O ATOM 925 CB PHE A 66 65.782 -33.040 0.438 1.00 0.24 C ATOM 926 CG PHE A 66 64.458 -33.495 -0.103 1.00 72.03 C ATOM 927 CD1 PHE A 66 63.634 -34.320 0.645 1.00 74.21 C ATOM 928 CD2 PHE A 66 64.035 -33.097 -1.363 1.00 1.24 C ATOM 929 CE1 PHE A 66 62.414 -34.740 0.150 1.00 72.11 C ATOM 930 CE2 PHE A 66 62.817 -33.514 -1.863 1.00 60.23 C ATOM 931 CZ PHE A 66 62.006 -34.337 -1.107 1.00 34.54 C ATOM 0 H PHE A 66 67.760 -31.355 1.270 1.00 10.11 H new ATOM 0 HA PHE A 66 64.823 -31.178 0.921 1.00 54.34 H new ATOM 0 HB2 PHE A 66 66.476 -32.901 -0.391 1.00 0.24 H new ATOM 0 HB3 PHE A 66 66.195 -33.825 1.072 1.00 0.24 H new ATOM 0 HD1 PHE A 66 63.949 -34.639 1.628 1.00 74.21 H new ATOM 0 HD2 PHE A 66 64.665 -32.454 -1.959 1.00 1.24 H new ATOM 0 HE1 PHE A 66 61.781 -35.382 0.744 1.00 72.11 H new ATOM 0 HE2 PHE A 66 62.499 -33.196 -2.845 1.00 60.23 H new ATOM 0 HZ PHE A 66 61.054 -34.665 -1.498 1.00 34.54 H new ATOM 941 N VAL A 67 64.600 -31.399 3.376 1.00 14.44 N ATOM 942 CA VAL A 67 64.357 -31.608 4.800 1.00 43.13 C ATOM 943 C VAL A 67 62.865 -31.597 5.110 1.00 74.04 C ATOM 944 O VAL A 67 62.043 -31.290 4.246 1.00 73.24 O ATOM 945 CB VAL A 67 65.056 -30.534 5.653 1.00 42.54 C ATOM 946 CG1 VAL A 67 66.562 -30.575 5.435 1.00 54.13 C ATOM 947 CG2 VAL A 67 64.501 -29.155 5.332 1.00 14.43 C ATOM 0 H VAL A 67 63.981 -30.716 2.939 1.00 14.44 H new ATOM 0 HA VAL A 67 64.770 -32.585 5.051 1.00 43.13 H new ATOM 0 HB VAL A 67 64.859 -30.745 6.704 1.00 42.54 H new ATOM 0 HG11 VAL A 67 67.039 -29.809 6.046 1.00 54.13 H new ATOM 0 HG12 VAL A 67 66.944 -31.556 5.719 1.00 54.13 H new ATOM 0 HG13 VAL A 67 66.783 -30.390 4.384 1.00 54.13 H new ATOM 0 HG21 VAL A 67 65.006 -28.408 5.944 1.00 14.43 H new ATOM 0 HG22 VAL A 67 64.666 -28.933 4.278 1.00 14.43 H new ATOM 0 HG23 VAL A 67 63.432 -29.135 5.544 1.00 14.43 H new ATOM 957 N ARG A 68 62.521 -31.931 6.349 1.00 24.34 N ATOM 958 CA ARG A 68 61.126 -31.960 6.774 1.00 10.21 C ATOM 959 C ARG A 68 60.827 -30.813 7.734 1.00 0.52 C ATOM 960 O ARG A 68 61.671 -30.430 8.546 1.00 64.14 O ATOM 961 CB ARG A 68 60.802 -33.297 7.443 1.00 41.13 C ATOM 962 CG ARG A 68 60.810 -33.236 8.961 1.00 21.22 C ATOM 963 CD ARG A 68 60.502 -34.593 9.575 1.00 14.02 C ATOM 964 NE ARG A 68 61.373 -35.641 9.051 1.00 22.24 N ATOM 965 CZ ARG A 68 61.061 -36.401 8.008 1.00 64.40 C ATOM 966 NH1 ARG A 68 59.906 -36.231 7.380 1.00 41.15 N ATOM 967 NH2 ARG A 68 61.906 -37.335 7.590 1.00 21.03 N ATOM 0 H ARG A 68 63.189 -32.185 7.077 1.00 24.34 H new ATOM 0 HA ARG A 68 60.500 -31.843 5.889 1.00 10.21 H new ATOM 0 HB2 ARG A 68 59.821 -33.634 7.107 1.00 41.13 H new ATOM 0 HB3 ARG A 68 61.525 -34.043 7.114 1.00 41.13 H new ATOM 0 HG2 ARG A 68 61.784 -32.892 9.307 1.00 21.22 H new ATOM 0 HG3 ARG A 68 60.075 -32.506 9.301 1.00 21.22 H new ATOM 0 HD2 ARG A 68 60.615 -34.535 10.658 1.00 14.02 H new ATOM 0 HD3 ARG A 68 59.462 -34.853 9.377 1.00 14.02 H new ATOM 0 HE ARG A 68 62.270 -35.798 9.511 1.00 22.24 H new ATOM 0 HH11 ARG A 68 59.253 -35.514 7.698 1.00 41.15 H new ATOM 0 HH12 ARG A 68 59.670 -36.817 6.579 1.00 41.15 H new ATOM 0 HH21 ARG A 68 62.796 -37.469 8.070 1.00 21.03 H new ATOM 0 HH22 ARG A 68 61.666 -37.918 6.789 1.00 21.03 H new ATOM 981 N THR A 69 59.619 -30.266 7.637 1.00 52.21 N ATOM 982 CA THR A 69 59.209 -29.162 8.495 1.00 73.14 C ATOM 983 C THR A 69 59.749 -29.334 9.910 1.00 42.05 C ATOM 984 O THR A 69 60.451 -28.466 10.427 1.00 54.54 O ATOM 985 CB THR A 69 57.674 -29.036 8.554 1.00 24.05 C ATOM 986 OG1 THR A 69 57.283 -28.395 9.772 1.00 15.25 O ATOM 987 CG2 THR A 69 57.016 -30.405 8.462 1.00 45.04 C ATOM 0 H THR A 69 58.908 -30.570 6.972 1.00 52.21 H new ATOM 0 HA THR A 69 59.624 -28.253 8.060 1.00 73.14 H new ATOM 0 HB THR A 69 57.347 -28.435 7.706 1.00 24.05 H new ATOM 0 HG1 THR A 69 56.307 -28.317 9.802 1.00 15.25 H new ATOM 0 HG21 THR A 69 55.933 -30.292 8.506 1.00 45.04 H new ATOM 0 HG22 THR A 69 57.294 -30.880 7.521 1.00 45.04 H new ATOM 0 HG23 THR A 69 57.350 -31.026 9.294 1.00 45.04 H new ATOM 995 N ASP A 70 59.418 -30.461 10.530 1.00 21.41 N ATOM 996 CA ASP A 70 59.871 -30.749 11.885 1.00 14.54 C ATOM 997 C ASP A 70 61.348 -30.404 12.049 1.00 11.14 C ATOM 998 O ASP A 70 61.714 -29.578 12.886 1.00 70.21 O ATOM 999 CB ASP A 70 59.639 -32.223 12.223 1.00 42.32 C ATOM 1000 CG ASP A 70 60.394 -32.659 13.462 1.00 35.21 C ATOM 1001 OD1 ASP A 70 59.930 -32.348 14.580 1.00 4.32 O ATOM 1002 OD2 ASP A 70 61.447 -33.313 13.316 1.00 2.34 O ATOM 0 H ASP A 70 58.837 -31.190 10.115 1.00 21.41 H new ATOM 0 HA ASP A 70 59.293 -30.132 12.573 1.00 14.54 H new ATOM 0 HB2 ASP A 70 58.573 -32.395 12.372 1.00 42.32 H new ATOM 0 HB3 ASP A 70 59.947 -32.839 11.378 1.00 42.32 H new ATOM 1007 N GLU A 71 62.193 -31.043 11.246 1.00 51.33 N ATOM 1008 CA GLU A 71 63.630 -30.804 11.303 1.00 22.41 C ATOM 1009 C GLU A 71 63.950 -29.338 11.025 1.00 61.53 C ATOM 1010 O GLU A 71 64.797 -28.739 11.688 1.00 60.35 O ATOM 1011 CB GLU A 71 64.358 -31.697 10.296 1.00 41.10 C ATOM 1012 CG GLU A 71 65.399 -32.605 10.930 1.00 44.22 C ATOM 1013 CD GLU A 71 66.321 -31.864 11.879 1.00 74.22 C ATOM 1014 OE1 GLU A 71 66.570 -30.662 11.647 1.00 3.00 O ATOM 1015 OE2 GLU A 71 66.791 -32.486 12.855 1.00 53.24 O ATOM 0 H GLU A 71 61.907 -31.730 10.548 1.00 51.33 H new ATOM 0 HA GLU A 71 63.973 -31.048 12.308 1.00 22.41 H new ATOM 0 HB2 GLU A 71 63.626 -32.309 9.770 1.00 41.10 H new ATOM 0 HB3 GLU A 71 64.843 -31.068 9.549 1.00 41.10 H new ATOM 0 HG2 GLU A 71 64.895 -33.406 11.471 1.00 44.22 H new ATOM 0 HG3 GLU A 71 65.993 -33.074 10.145 1.00 44.22 H new ATOM 1022 N VAL A 72 63.267 -28.767 10.038 1.00 61.42 N ATOM 1023 CA VAL A 72 63.478 -27.372 9.670 1.00 72.42 C ATOM 1024 C VAL A 72 62.679 -26.439 10.575 1.00 64.12 C ATOM 1025 O VAL A 72 62.663 -25.225 10.372 1.00 13.22 O ATOM 1026 CB VAL A 72 63.080 -27.111 8.205 1.00 71.21 C ATOM 1027 CG1 VAL A 72 61.636 -26.644 8.118 1.00 54.21 C ATOM 1028 CG2 VAL A 72 64.018 -26.094 7.573 1.00 74.13 C ATOM 0 H VAL A 72 62.563 -29.249 9.479 1.00 61.42 H new ATOM 0 HA VAL A 72 64.542 -27.170 9.791 1.00 72.42 H new ATOM 0 HB VAL A 72 63.167 -28.046 7.651 1.00 71.21 H new ATOM 0 HG11 VAL A 72 61.374 -26.465 7.075 1.00 54.21 H new ATOM 0 HG12 VAL A 72 60.980 -27.411 8.531 1.00 54.21 H new ATOM 0 HG13 VAL A 72 61.517 -25.721 8.686 1.00 54.21 H new ATOM 0 HG21 VAL A 72 63.723 -25.921 6.538 1.00 74.13 H new ATOM 0 HG22 VAL A 72 63.965 -25.157 8.127 1.00 74.13 H new ATOM 0 HG23 VAL A 72 65.039 -26.475 7.600 1.00 74.13 H new ATOM 1038 N ARG A 73 62.019 -27.015 11.574 1.00 4.01 N ATOM 1039 CA ARG A 73 61.218 -26.235 12.510 1.00 70.50 C ATOM 1040 C ARG A 73 61.996 -25.961 13.794 1.00 44.23 C ATOM 1041 O ARG A 73 61.899 -24.877 14.369 1.00 1.01 O ATOM 1042 CB ARG A 73 59.917 -26.972 12.838 1.00 42.24 C ATOM 1043 CG ARG A 73 59.023 -26.223 13.812 1.00 75.14 C ATOM 1044 CD ARG A 73 58.202 -27.180 14.663 1.00 70.01 C ATOM 1045 NE ARG A 73 57.567 -26.503 15.790 1.00 13.22 N ATOM 1046 CZ ARG A 73 56.539 -27.005 16.465 1.00 61.53 C ATOM 1047 NH1 ARG A 73 56.032 -28.183 16.128 1.00 43.12 N ATOM 1048 NH2 ARG A 73 56.016 -26.329 17.479 1.00 35.00 N ATOM 0 H ARG A 73 62.023 -28.019 11.756 1.00 4.01 H new ATOM 0 HA ARG A 73 60.980 -25.282 12.039 1.00 70.50 H new ATOM 0 HB2 ARG A 73 59.366 -27.148 11.914 1.00 42.24 H new ATOM 0 HB3 ARG A 73 60.158 -27.949 13.257 1.00 42.24 H new ATOM 0 HG2 ARG A 73 59.634 -25.593 14.458 1.00 75.14 H new ATOM 0 HG3 ARG A 73 58.356 -25.561 13.260 1.00 75.14 H new ATOM 0 HD2 ARG A 73 57.437 -27.650 14.045 1.00 70.01 H new ATOM 0 HD3 ARG A 73 58.845 -27.977 15.035 1.00 70.01 H new ATOM 0 HE ARG A 73 57.933 -25.594 16.075 1.00 13.22 H new ATOM 0 HH11 ARG A 73 56.431 -28.706 15.349 1.00 43.12 H new ATOM 0 HH12 ARG A 73 55.243 -28.566 16.648 1.00 43.12 H new ATOM 0 HH21 ARG A 73 56.403 -25.423 17.741 1.00 35.00 H new ATOM 0 HH22 ARG A 73 55.227 -26.716 17.997 1.00 35.00 H new ATOM 1062 N GLN A 74 62.768 -26.949 14.236 1.00 74.40 N ATOM 1063 CA GLN A 74 63.561 -26.813 15.451 1.00 30.32 C ATOM 1064 C GLN A 74 64.645 -25.755 15.279 1.00 23.31 C ATOM 1065 O GLN A 74 65.272 -25.330 16.249 1.00 74.12 O ATOM 1066 CB GLN A 74 64.195 -28.155 15.824 1.00 74.12 C ATOM 1067 CG GLN A 74 63.182 -29.223 16.201 1.00 32.53 C ATOM 1068 CD GLN A 74 63.787 -30.612 16.245 1.00 2.23 C ATOM 1069 OE1 GLN A 74 64.450 -30.983 17.215 1.00 13.12 O ATOM 1070 NE2 GLN A 74 63.562 -31.390 15.193 1.00 3.31 N ATOM 0 H GLN A 74 62.861 -27.852 13.771 1.00 74.40 H new ATOM 0 HA GLN A 74 62.896 -26.497 16.255 1.00 30.32 H new ATOM 0 HB2 GLN A 74 64.791 -28.512 14.984 1.00 74.12 H new ATOM 0 HB3 GLN A 74 64.879 -28.004 16.659 1.00 74.12 H new ATOM 0 HG2 GLN A 74 62.755 -28.986 17.176 1.00 32.53 H new ATOM 0 HG3 GLN A 74 62.362 -29.211 15.483 1.00 32.53 H new ATOM 0 HE21 GLN A 74 63.007 -31.042 14.411 1.00 3.31 H new ATOM 0 HE22 GLN A 74 63.944 -32.335 15.167 1.00 3.31 H new ATOM 1079 N LEU A 75 64.861 -25.334 14.037 1.00 24.24 N ATOM 1080 CA LEU A 75 65.871 -24.325 13.737 1.00 70.11 C ATOM 1081 C LEU A 75 65.219 -22.996 13.368 1.00 13.15 C ATOM 1082 O LEU A 75 63.999 -22.848 13.449 1.00 3.52 O ATOM 1083 CB LEU A 75 66.769 -24.800 12.593 1.00 41.22 C ATOM 1084 CG LEU A 75 67.723 -25.949 12.921 1.00 30.40 C ATOM 1085 CD1 LEU A 75 67.185 -27.262 12.373 1.00 44.21 C ATOM 1086 CD2 LEU A 75 69.111 -25.665 12.367 1.00 41.05 C ATOM 0 H LEU A 75 64.351 -25.675 13.222 1.00 24.24 H new ATOM 0 HA LEU A 75 66.478 -24.176 14.630 1.00 70.11 H new ATOM 0 HB2 LEU A 75 66.133 -25.108 11.763 1.00 41.22 H new ATOM 0 HB3 LEU A 75 67.359 -23.952 12.245 1.00 41.22 H new ATOM 0 HG LEU A 75 67.798 -26.036 14.005 1.00 30.40 H new ATOM 0 HD11 LEU A 75 67.877 -28.068 12.616 1.00 44.21 H new ATOM 0 HD12 LEU A 75 66.213 -27.471 12.819 1.00 44.21 H new ATOM 0 HD13 LEU A 75 67.079 -27.188 11.291 1.00 44.21 H new ATOM 0 HD21 LEU A 75 69.776 -26.493 12.610 1.00 41.05 H new ATOM 0 HD22 LEU A 75 69.054 -25.551 11.284 1.00 41.05 H new ATOM 0 HD23 LEU A 75 69.498 -24.747 12.809 1.00 41.05 H new ATOM 1098 N ARG A 76 66.040 -22.033 12.964 1.00 41.25 N ATOM 1099 CA ARG A 76 65.544 -20.717 12.582 1.00 55.12 C ATOM 1100 C ARG A 76 65.857 -20.420 11.119 1.00 63.24 C ATOM 1101 O ARG A 76 66.807 -20.964 10.554 1.00 55.21 O ATOM 1102 CB ARG A 76 66.160 -19.637 13.475 1.00 71.31 C ATOM 1103 CG ARG A 76 67.590 -19.283 13.103 1.00 12.42 C ATOM 1104 CD ARG A 76 68.172 -18.245 14.051 1.00 74.40 C ATOM 1105 NE ARG A 76 68.846 -18.861 15.191 1.00 75.34 N ATOM 1106 CZ ARG A 76 69.468 -18.169 16.138 1.00 52.32 C ATOM 1107 NH1 ARG A 76 69.502 -16.844 16.082 1.00 5.14 N ATOM 1108 NH2 ARG A 76 70.058 -18.802 17.144 1.00 42.13 N ATOM 0 H ARG A 76 67.052 -22.139 12.893 1.00 41.25 H new ATOM 0 HA ARG A 76 64.462 -20.714 12.712 1.00 55.12 H new ATOM 0 HB2 ARG A 76 65.546 -18.738 13.420 1.00 71.31 H new ATOM 0 HB3 ARG A 76 66.136 -19.976 14.511 1.00 71.31 H new ATOM 0 HG2 ARG A 76 68.206 -20.182 13.124 1.00 12.42 H new ATOM 0 HG3 ARG A 76 67.618 -18.901 12.082 1.00 12.42 H new ATOM 0 HD2 ARG A 76 68.878 -17.615 13.510 1.00 74.40 H new ATOM 0 HD3 ARG A 76 67.375 -17.594 14.410 1.00 74.40 H new ATOM 0 HE ARG A 76 68.838 -19.878 15.263 1.00 75.34 H new ATOM 0 HH11 ARG A 76 69.050 -16.354 15.310 1.00 5.14 H new ATOM 0 HH12 ARG A 76 69.981 -16.315 16.811 1.00 5.14 H new ATOM 0 HH21 ARG A 76 70.034 -19.821 17.190 1.00 42.13 H new ATOM 0 HH22 ARG A 76 70.536 -18.270 17.871 1.00 42.13 H new ATOM 1122 N ARG A 77 65.051 -19.556 10.509 1.00 1.15 N ATOM 1123 CA ARG A 77 65.242 -19.189 9.110 1.00 32.45 C ATOM 1124 C ARG A 77 66.682 -18.759 8.853 1.00 64.21 C ATOM 1125 O ARG A 77 67.242 -17.953 9.594 1.00 1.05 O ATOM 1126 CB ARG A 77 64.284 -18.061 8.723 1.00 70.03 C ATOM 1127 CG ARG A 77 64.697 -16.700 9.257 1.00 1.14 C ATOM 1128 CD ARG A 77 63.488 -15.848 9.607 1.00 15.11 C ATOM 1129 NE ARG A 77 63.668 -14.454 9.212 1.00 51.35 N ATOM 1130 CZ ARG A 77 62.803 -13.489 9.505 1.00 2.21 C ATOM 1131 NH1 ARG A 77 61.704 -13.766 10.193 1.00 10.11 N ATOM 1132 NH2 ARG A 77 63.037 -12.244 9.109 1.00 33.44 N ATOM 0 H ARG A 77 64.260 -19.097 10.961 1.00 1.15 H new ATOM 0 HA ARG A 77 65.028 -20.065 8.497 1.00 32.45 H new ATOM 0 HB2 ARG A 77 64.217 -18.010 7.636 1.00 70.03 H new ATOM 0 HB3 ARG A 77 63.287 -18.300 9.093 1.00 70.03 H new ATOM 0 HG2 ARG A 77 65.321 -16.829 10.142 1.00 1.14 H new ATOM 0 HG3 ARG A 77 65.303 -16.185 8.512 1.00 1.14 H new ATOM 0 HD2 ARG A 77 62.604 -16.253 9.114 1.00 15.11 H new ATOM 0 HD3 ARG A 77 63.306 -15.900 10.681 1.00 15.11 H new ATOM 0 HE ARG A 77 64.504 -14.207 8.682 1.00 51.35 H new ATOM 0 HH11 ARG A 77 61.521 -14.722 10.499 1.00 10.11 H new ATOM 0 HH12 ARG A 77 61.042 -13.023 10.417 1.00 10.11 H new ATOM 0 HH21 ARG A 77 63.881 -12.027 8.579 1.00 33.44 H new ATOM 0 HH22 ARG A 77 62.372 -11.504 9.334 1.00 33.44 H new ATOM 1146 N GLY A 78 67.277 -19.305 7.796 1.00 52.33 N ATOM 1147 CA GLY A 78 68.648 -18.965 7.458 1.00 33.25 C ATOM 1148 C GLY A 78 69.655 -19.833 8.187 1.00 54.51 C ATOM 1149 O GLY A 78 70.667 -19.337 8.684 1.00 60.23 O ATOM 0 H GLY A 78 66.835 -19.976 7.168 1.00 52.33 H new ATOM 0 HA2 GLY A 78 68.791 -19.072 6.383 1.00 33.25 H new ATOM 0 HA3 GLY A 78 68.831 -17.918 7.702 1.00 33.25 H new ATOM 1153 N ASP A 79 69.378 -21.131 8.252 1.00 55.22 N ATOM 1154 CA ASP A 79 70.267 -22.068 8.926 1.00 24.23 C ATOM 1155 C ASP A 79 71.078 -22.872 7.913 1.00 13.40 C ATOM 1156 O ASP A 79 70.537 -23.709 7.192 1.00 70.15 O ATOM 1157 CB ASP A 79 69.464 -23.015 9.819 1.00 74.01 C ATOM 1158 CG ASP A 79 69.647 -22.714 11.294 1.00 61.41 C ATOM 1159 OD1 ASP A 79 70.721 -23.046 11.837 1.00 31.21 O ATOM 1160 OD2 ASP A 79 68.716 -22.149 11.904 1.00 32.12 O ATOM 0 H ASP A 79 68.545 -21.557 7.846 1.00 55.22 H new ATOM 0 HA ASP A 79 70.956 -21.494 9.545 1.00 24.23 H new ATOM 0 HB2 ASP A 79 68.407 -22.941 9.564 1.00 74.01 H new ATOM 0 HB3 ASP A 79 69.768 -24.043 9.620 1.00 74.01 H new ATOM 1165 N THR A 80 72.381 -22.609 7.865 1.00 62.12 N ATOM 1166 CA THR A 80 73.267 -23.305 6.940 1.00 52.15 C ATOM 1167 C THR A 80 73.813 -24.585 7.558 1.00 32.25 C ATOM 1168 O THR A 80 74.647 -24.543 8.463 1.00 11.44 O ATOM 1169 CB THR A 80 74.446 -22.411 6.511 1.00 34.04 C ATOM 1170 OG1 THR A 80 75.538 -23.222 6.064 1.00 52.43 O ATOM 1171 CG2 THR A 80 74.902 -21.529 7.665 1.00 45.02 C ATOM 0 H THR A 80 72.845 -21.919 8.456 1.00 62.12 H new ATOM 0 HA THR A 80 72.672 -23.555 6.062 1.00 52.15 H new ATOM 0 HB THR A 80 74.111 -21.771 5.694 1.00 34.04 H new ATOM 0 HG1 THR A 80 75.960 -22.802 5.286 1.00 52.43 H new ATOM 0 HG21 THR A 80 75.735 -20.906 7.340 1.00 45.02 H new ATOM 0 HG22 THR A 80 74.077 -20.893 7.985 1.00 45.02 H new ATOM 0 HG23 THR A 80 75.221 -22.156 8.498 1.00 45.02 H new ATOM 1179 N LEU A 81 73.338 -25.724 7.067 1.00 30.54 N ATOM 1180 CA LEU A 81 73.779 -27.019 7.572 1.00 5.13 C ATOM 1181 C LEU A 81 74.857 -27.616 6.673 1.00 1.24 C ATOM 1182 O LEU A 81 74.739 -27.600 5.448 1.00 71.21 O ATOM 1183 CB LEU A 81 72.594 -27.981 7.673 1.00 63.02 C ATOM 1184 CG LEU A 81 71.530 -27.851 6.583 1.00 33.51 C ATOM 1185 CD1 LEU A 81 70.683 -26.609 6.809 1.00 71.11 C ATOM 1186 CD2 LEU A 81 72.178 -27.814 5.207 1.00 52.11 C ATOM 0 H LEU A 81 72.647 -25.777 6.319 1.00 30.54 H new ATOM 0 HA LEU A 81 74.202 -26.868 8.565 1.00 5.13 H new ATOM 0 HB2 LEU A 81 72.978 -29.001 7.659 1.00 63.02 H new ATOM 0 HB3 LEU A 81 72.114 -27.834 8.641 1.00 63.02 H new ATOM 0 HG LEU A 81 70.878 -28.723 6.632 1.00 33.51 H new ATOM 0 HD11 LEU A 81 69.931 -26.533 6.023 1.00 71.11 H new ATOM 0 HD12 LEU A 81 70.189 -26.677 7.778 1.00 71.11 H new ATOM 0 HD13 LEU A 81 71.320 -25.725 6.788 1.00 71.11 H new ATOM 0 HD21 LEU A 81 71.406 -27.721 4.443 1.00 52.11 H new ATOM 0 HD22 LEU A 81 72.853 -26.961 5.146 1.00 52.11 H new ATOM 0 HD23 LEU A 81 72.740 -28.734 5.045 1.00 52.11 H new ATOM 1198 N THR A 82 75.910 -28.144 7.290 1.00 30.34 N ATOM 1199 CA THR A 82 77.009 -28.747 6.547 1.00 62.14 C ATOM 1200 C THR A 82 76.808 -30.250 6.391 1.00 52.30 C ATOM 1201 O THR A 82 77.054 -31.018 7.321 1.00 31.25 O ATOM 1202 CB THR A 82 78.362 -28.491 7.237 1.00 50.12 C ATOM 1203 OG1 THR A 82 79.417 -29.108 6.492 1.00 40.13 O ATOM 1204 CG2 THR A 82 78.355 -29.030 8.659 1.00 63.40 C ATOM 0 H THR A 82 76.024 -28.166 8.303 1.00 30.34 H new ATOM 0 HA THR A 82 77.018 -28.280 5.562 1.00 62.14 H new ATOM 0 HB THR A 82 78.527 -27.414 7.275 1.00 50.12 H new ATOM 0 HG1 THR A 82 80.274 -28.939 6.937 1.00 40.13 H new ATOM 0 HG21 THR A 82 79.321 -28.838 9.126 1.00 63.40 H new ATOM 0 HG22 THR A 82 77.570 -28.536 9.232 1.00 63.40 H new ATOM 0 HG23 THR A 82 78.169 -30.104 8.640 1.00 63.40 H new ATOM 1212 N ILE A 83 76.360 -30.663 5.210 1.00 62.21 N ATOM 1213 CA ILE A 83 76.129 -32.075 4.932 1.00 75.01 C ATOM 1214 C ILE A 83 76.662 -32.460 3.557 1.00 23.34 C ATOM 1215 O ILE A 83 76.391 -31.788 2.564 1.00 51.24 O ATOM 1216 CB ILE A 83 74.630 -32.425 5.006 1.00 70.12 C ATOM 1217 CG1 ILE A 83 74.181 -33.111 3.713 1.00 35.04 C ATOM 1218 CG2 ILE A 83 73.806 -31.172 5.260 1.00 71.40 C ATOM 1219 CD1 ILE A 83 73.743 -32.144 2.636 1.00 1.22 C ATOM 0 H ILE A 83 76.150 -30.040 4.430 1.00 62.21 H new ATOM 0 HA ILE A 83 76.664 -32.638 5.696 1.00 75.01 H new ATOM 0 HB ILE A 83 74.473 -33.114 5.836 1.00 70.12 H new ATOM 0 HG12 ILE A 83 75.000 -33.720 3.331 1.00 35.04 H new ATOM 0 HG13 ILE A 83 73.358 -33.789 3.938 1.00 35.04 H new ATOM 0 HG21 ILE A 83 72.749 -31.435 5.310 1.00 71.40 H new ATOM 0 HG22 ILE A 83 74.112 -30.720 6.204 1.00 71.40 H new ATOM 0 HG23 ILE A 83 73.965 -30.461 4.449 1.00 71.40 H new ATOM 0 HD11 ILE A 83 73.439 -32.700 1.749 1.00 1.22 H new ATOM 0 HD12 ILE A 83 72.903 -31.552 2.999 1.00 1.22 H new ATOM 0 HD13 ILE A 83 74.571 -31.482 2.383 1.00 1.22 H new ATOM 1231 N GLY A 84 77.424 -33.549 3.507 1.00 60.32 N ATOM 1232 CA GLY A 84 77.983 -34.007 2.249 1.00 61.24 C ATOM 1233 C GLY A 84 79.116 -33.125 1.762 1.00 33.22 C ATOM 1234 O GLY A 84 80.216 -33.608 1.498 1.00 64.14 O ATOM 0 H GLY A 84 77.664 -34.122 4.316 1.00 60.32 H new ATOM 0 HA2 GLY A 84 78.346 -35.028 2.367 1.00 61.24 H new ATOM 0 HA3 GLY A 84 77.197 -34.034 1.494 1.00 61.24 H new ATOM 1238 N GLU A 85 78.846 -31.828 1.645 1.00 64.40 N ATOM 1239 CA GLU A 85 79.852 -30.878 1.185 1.00 1.15 C ATOM 1240 C GLU A 85 80.234 -29.909 2.299 1.00 13.53 C ATOM 1241 O GLU A 85 81.257 -30.080 2.961 1.00 2.11 O ATOM 1242 CB GLU A 85 79.335 -30.102 -0.027 1.00 53.44 C ATOM 1243 CG GLU A 85 79.693 -30.741 -1.358 1.00 22.30 C ATOM 1244 CD GLU A 85 81.186 -30.748 -1.619 1.00 41.21 C ATOM 1245 OE1 GLU A 85 81.924 -30.086 -0.860 1.00 53.13 O ATOM 1246 OE2 GLU A 85 81.618 -31.414 -2.583 1.00 22.54 O ATOM 0 H GLU A 85 77.940 -31.412 1.862 1.00 64.40 H new ATOM 0 HA GLU A 85 80.740 -31.439 0.896 1.00 1.15 H new ATOM 0 HB2 GLU A 85 78.251 -30.014 0.044 1.00 53.44 H new ATOM 0 HB3 GLU A 85 79.739 -29.090 0.001 1.00 53.44 H new ATOM 0 HG2 GLU A 85 79.320 -31.765 -1.377 1.00 22.30 H new ATOM 0 HG3 GLU A 85 79.190 -30.203 -2.162 1.00 22.30 H new ATOM 1253 N GLU A 86 79.403 -28.889 2.500 1.00 5.24 N ATOM 1254 CA GLU A 86 79.656 -27.893 3.533 1.00 51.45 C ATOM 1255 C GLU A 86 78.353 -27.241 3.989 1.00 51.33 C ATOM 1256 O GLU A 86 77.341 -27.298 3.293 1.00 64.42 O ATOM 1257 CB GLU A 86 80.620 -26.823 3.016 1.00 43.40 C ATOM 1258 CG GLU A 86 82.025 -27.342 2.763 1.00 3.30 C ATOM 1259 CD GLU A 86 82.978 -26.250 2.314 1.00 25.34 C ATOM 1260 OE1 GLU A 86 82.496 -25.196 1.850 1.00 33.24 O ATOM 1261 OE2 GLU A 86 84.206 -26.452 2.426 1.00 52.41 O ATOM 0 H GLU A 86 78.551 -28.732 1.961 1.00 5.24 H new ATOM 0 HA GLU A 86 80.109 -28.398 4.386 1.00 51.45 H new ATOM 0 HB2 GLU A 86 80.224 -26.405 2.090 1.00 43.40 H new ATOM 0 HB3 GLU A 86 80.667 -26.008 3.739 1.00 43.40 H new ATOM 0 HG2 GLU A 86 82.408 -27.802 3.674 1.00 3.30 H new ATOM 0 HG3 GLU A 86 81.989 -28.123 2.003 1.00 3.30 H new ATOM 1268 N ASN A 87 78.388 -26.621 5.164 1.00 3.41 N ATOM 1269 CA ASN A 87 77.211 -25.959 5.714 1.00 12.40 C ATOM 1270 C ASN A 87 76.587 -25.017 4.689 1.00 62.15 C ATOM 1271 O ASN A 87 77.241 -24.099 4.194 1.00 12.11 O ATOM 1272 CB ASN A 87 77.583 -25.180 6.978 1.00 70.42 C ATOM 1273 CG ASN A 87 78.946 -24.525 6.874 1.00 5.10 C ATOM 1274 OD1 ASN A 87 79.974 -25.203 6.863 1.00 71.20 O ATOM 1275 ND2 ASN A 87 78.962 -23.199 6.797 1.00 74.50 N ATOM 0 H ASN A 87 79.218 -26.563 5.753 1.00 3.41 H new ATOM 0 HA ASN A 87 76.480 -26.726 5.969 1.00 12.40 H new ATOM 0 HB2 ASN A 87 76.829 -24.415 7.165 1.00 70.42 H new ATOM 0 HB3 ASN A 87 77.572 -25.855 7.834 1.00 70.42 H new ATOM 0 HD21 ASN A 87 79.850 -22.703 6.725 1.00 74.50 H new ATOM 0 HD22 ASN A 87 78.086 -22.677 6.810 1.00 74.50 H new ATOM 1282 N PHE A 88 75.317 -25.252 4.374 1.00 24.24 N ATOM 1283 CA PHE A 88 74.604 -24.426 3.408 1.00 62.15 C ATOM 1284 C PHE A 88 73.252 -23.986 3.961 1.00 52.44 C ATOM 1285 O PHE A 88 72.407 -24.815 4.299 1.00 1.44 O ATOM 1286 CB PHE A 88 74.406 -25.192 2.098 1.00 45.02 C ATOM 1287 CG PHE A 88 75.677 -25.770 1.543 1.00 33.34 C ATOM 1288 CD1 PHE A 88 76.856 -25.045 1.578 1.00 42.12 C ATOM 1289 CD2 PHE A 88 75.692 -27.040 0.988 1.00 75.14 C ATOM 1290 CE1 PHE A 88 78.027 -25.574 1.068 1.00 43.15 C ATOM 1291 CE2 PHE A 88 76.859 -27.574 0.477 1.00 64.12 C ATOM 1292 CZ PHE A 88 78.028 -26.841 0.517 1.00 15.43 C ATOM 0 H PHE A 88 74.761 -26.008 4.774 1.00 24.24 H new ATOM 0 HA PHE A 88 75.205 -23.537 3.215 1.00 62.15 H new ATOM 0 HB2 PHE A 88 73.691 -25.998 2.262 1.00 45.02 H new ATOM 0 HB3 PHE A 88 73.967 -24.523 1.358 1.00 45.02 H new ATOM 0 HD1 PHE A 88 76.861 -24.055 2.009 1.00 42.12 H new ATOM 0 HD2 PHE A 88 74.781 -27.619 0.955 1.00 75.14 H new ATOM 0 HE1 PHE A 88 78.940 -24.998 1.100 1.00 43.15 H new ATOM 0 HE2 PHE A 88 76.857 -28.564 0.046 1.00 64.12 H new ATOM 0 HZ PHE A 88 78.941 -27.257 0.118 1.00 15.43 H new ATOM 1302 N TRP A 89 73.055 -22.675 4.050 1.00 40.34 N ATOM 1303 CA TRP A 89 71.806 -22.123 4.563 1.00 60.11 C ATOM 1304 C TRP A 89 70.724 -22.135 3.489 1.00 41.54 C ATOM 1305 O TRP A 89 70.974 -21.773 2.338 1.00 21.12 O ATOM 1306 CB TRP A 89 72.026 -20.696 5.069 1.00 20.41 C ATOM 1307 CG TRP A 89 72.175 -19.692 3.966 1.00 3.45 C ATOM 1308 CD1 TRP A 89 72.935 -19.820 2.839 1.00 22.02 C ATOM 1309 CD2 TRP A 89 71.552 -18.405 3.889 1.00 32.50 C ATOM 1310 NE1 TRP A 89 72.821 -18.691 2.065 1.00 13.20 N ATOM 1311 CE2 TRP A 89 71.977 -17.808 2.686 1.00 10.21 C ATOM 1312 CE3 TRP A 89 70.674 -17.701 4.717 1.00 13.21 C ATOM 1313 CZ2 TRP A 89 71.555 -16.541 2.295 1.00 52.21 C ATOM 1314 CZ3 TRP A 89 70.256 -16.442 4.328 1.00 23.31 C ATOM 1315 CH2 TRP A 89 70.696 -15.873 3.126 1.00 64.12 C ATOM 0 H TRP A 89 73.744 -21.975 3.774 1.00 40.34 H new ATOM 0 HA TRP A 89 71.474 -22.748 5.392 1.00 60.11 H new ATOM 0 HB2 TRP A 89 71.186 -20.409 5.701 1.00 20.41 H new ATOM 0 HB3 TRP A 89 72.918 -20.673 5.695 1.00 20.41 H new ATOM 0 HD1 TRP A 89 73.537 -20.682 2.592 1.00 22.02 H new ATOM 0 HE1 TRP A 89 73.289 -18.535 1.172 1.00 13.20 H new ATOM 0 HE3 TRP A 89 70.328 -18.133 5.645 1.00 13.21 H new ATOM 0 HZ2 TRP A 89 71.893 -16.100 1.369 1.00 52.21 H new ATOM 0 HZ3 TRP A 89 69.579 -15.888 4.961 1.00 23.31 H new ATOM 0 HH2 TRP A 89 70.351 -14.888 2.849 1.00 64.12 H new ATOM 1326 N VAL A 90 69.521 -22.550 3.871 1.00 42.13 N ATOM 1327 CA VAL A 90 68.400 -22.607 2.940 1.00 11.21 C ATOM 1328 C VAL A 90 67.589 -21.317 2.978 1.00 41.15 C ATOM 1329 O VAL A 90 67.333 -20.763 4.048 1.00 65.41 O ATOM 1330 CB VAL A 90 67.471 -23.794 3.253 1.00 63.32 C ATOM 1331 CG1 VAL A 90 66.249 -23.327 4.029 1.00 71.01 C ATOM 1332 CG2 VAL A 90 67.059 -24.500 1.969 1.00 70.50 C ATOM 0 H VAL A 90 69.297 -22.852 4.819 1.00 42.13 H new ATOM 0 HA VAL A 90 68.822 -22.739 1.944 1.00 11.21 H new ATOM 0 HB VAL A 90 68.016 -24.505 3.874 1.00 63.32 H new ATOM 0 HG11 VAL A 90 65.605 -24.180 4.241 1.00 71.01 H new ATOM 0 HG12 VAL A 90 66.566 -22.870 4.967 1.00 71.01 H new ATOM 0 HG13 VAL A 90 65.699 -22.595 3.437 1.00 71.01 H new ATOM 0 HG21 VAL A 90 66.403 -25.337 2.208 1.00 70.50 H new ATOM 0 HG22 VAL A 90 66.532 -23.799 1.321 1.00 70.50 H new ATOM 0 HG23 VAL A 90 67.947 -24.871 1.457 1.00 70.50 H new ATOM 1342 N ASP A 91 67.186 -20.843 1.804 1.00 61.22 N ATOM 1343 CA ASP A 91 66.402 -19.618 1.702 1.00 61.14 C ATOM 1344 C ASP A 91 65.030 -19.796 2.346 1.00 12.35 C ATOM 1345 O ASP A 91 64.755 -19.237 3.408 1.00 51.21 O ATOM 1346 CB ASP A 91 66.241 -19.210 0.237 1.00 23.31 C ATOM 1347 CG ASP A 91 66.485 -17.730 0.018 1.00 75.21 C ATOM 1348 OD1 ASP A 91 67.600 -17.260 0.326 1.00 50.00 O ATOM 1349 OD2 ASP A 91 65.561 -17.042 -0.463 1.00 15.13 O ATOM 0 H ASP A 91 67.390 -21.289 0.909 1.00 61.22 H new ATOM 0 HA ASP A 91 66.935 -18.830 2.234 1.00 61.14 H new ATOM 0 HB2 ASP A 91 66.936 -19.784 -0.376 1.00 23.31 H new ATOM 0 HB3 ASP A 91 65.236 -19.463 -0.099 1.00 23.31 H new ATOM 1354 N ARG A 92 64.173 -20.577 1.697 1.00 41.40 N ATOM 1355 CA ARG A 92 62.830 -20.826 2.205 1.00 25.24 C ATOM 1356 C ARG A 92 62.312 -22.180 1.729 1.00 74.24 C ATOM 1357 O ARG A 92 62.209 -22.430 0.528 1.00 52.14 O ATOM 1358 CB ARG A 92 61.878 -19.716 1.757 1.00 62.23 C ATOM 1359 CG ARG A 92 60.470 -19.863 2.308 1.00 32.21 C ATOM 1360 CD ARG A 92 59.551 -20.555 1.313 1.00 32.02 C ATOM 1361 NE ARG A 92 58.141 -20.358 1.642 1.00 61.20 N ATOM 1362 CZ ARG A 92 57.493 -19.216 1.442 1.00 62.40 C ATOM 1363 NH1 ARG A 92 58.123 -18.174 0.918 1.00 63.25 N ATOM 1364 NH2 ARG A 92 56.210 -19.115 1.766 1.00 23.22 N ATOM 0 H ARG A 92 64.385 -21.048 0.818 1.00 41.40 H new ATOM 0 HA ARG A 92 62.876 -20.837 3.294 1.00 25.24 H new ATOM 0 HB2 ARG A 92 62.283 -18.753 2.070 1.00 62.23 H new ATOM 0 HB3 ARG A 92 61.834 -19.705 0.668 1.00 62.23 H new ATOM 0 HG2 ARG A 92 60.499 -20.434 3.236 1.00 32.21 H new ATOM 0 HG3 ARG A 92 60.069 -18.879 2.552 1.00 32.21 H new ATOM 0 HD2 ARG A 92 59.747 -20.172 0.312 1.00 32.02 H new ATOM 0 HD3 ARG A 92 59.774 -21.622 1.295 1.00 32.02 H new ATOM 0 HE ARG A 92 57.626 -21.140 2.047 1.00 61.20 H new ATOM 0 HH11 ARG A 92 59.109 -18.248 0.667 1.00 63.25 H new ATOM 0 HH12 ARG A 92 57.622 -17.299 0.766 1.00 63.25 H new ATOM 0 HH21 ARG A 92 55.721 -19.915 2.169 1.00 23.22 H new ATOM 0 HH22 ARG A 92 55.713 -18.238 1.612 1.00 23.22 H new ATOM 1378 N VAL A 93 61.985 -23.051 2.678 1.00 3.10 N ATOM 1379 CA VAL A 93 61.476 -24.379 2.356 1.00 5.12 C ATOM 1380 C VAL A 93 60.096 -24.601 2.965 1.00 2.41 C ATOM 1381 O VAL A 93 59.849 -24.241 4.117 1.00 65.14 O ATOM 1382 CB VAL A 93 62.429 -25.481 2.854 1.00 11.13 C ATOM 1383 CG1 VAL A 93 63.850 -25.212 2.383 1.00 1.23 C ATOM 1384 CG2 VAL A 93 62.373 -25.588 4.371 1.00 23.43 C ATOM 0 H VAL A 93 62.064 -22.861 3.677 1.00 3.10 H new ATOM 0 HA VAL A 93 61.404 -24.436 1.270 1.00 5.12 H new ATOM 0 HB VAL A 93 62.107 -26.433 2.433 1.00 11.13 H new ATOM 0 HG11 VAL A 93 64.509 -26.001 2.745 1.00 1.23 H new ATOM 0 HG12 VAL A 93 63.874 -25.190 1.293 1.00 1.23 H new ATOM 0 HG13 VAL A 93 64.187 -24.251 2.773 1.00 1.23 H new ATOM 0 HG21 VAL A 93 63.053 -26.372 4.706 1.00 23.43 H new ATOM 0 HG22 VAL A 93 62.669 -24.637 4.814 1.00 23.43 H new ATOM 0 HG23 VAL A 93 61.357 -25.832 4.681 1.00 23.43 H new ATOM 1394 N SER A 94 59.201 -25.198 2.186 1.00 71.14 N ATOM 1395 CA SER A 94 57.844 -25.466 2.647 1.00 73.01 C ATOM 1396 C SER A 94 57.395 -26.863 2.231 1.00 32.32 C ATOM 1397 O SER A 94 57.481 -27.250 1.066 1.00 24.03 O ATOM 1398 CB SER A 94 56.877 -24.420 2.088 1.00 33.51 C ATOM 1399 OG SER A 94 55.530 -24.829 2.257 1.00 63.31 O ATOM 0 H SER A 94 59.391 -25.506 1.232 1.00 71.14 H new ATOM 0 HA SER A 94 57.839 -25.411 3.736 1.00 73.01 H new ATOM 0 HB2 SER A 94 57.037 -23.467 2.591 1.00 33.51 H new ATOM 0 HB3 SER A 94 57.082 -24.260 1.029 1.00 33.51 H new ATOM 0 HG SER A 94 54.932 -24.143 1.893 1.00 63.31 H new ATOM 1405 N PRO A 95 56.903 -27.640 3.208 1.00 22.15 N ATOM 1406 CA PRO A 95 56.431 -29.007 2.970 1.00 61.43 C ATOM 1407 C PRO A 95 55.139 -29.041 2.160 1.00 65.23 C ATOM 1408 O PRO A 95 54.419 -28.046 2.081 1.00 21.01 O ATOM 1409 CB PRO A 95 56.191 -29.551 4.380 1.00 5.21 C ATOM 1410 CG PRO A 95 55.933 -28.343 5.213 1.00 71.31 C ATOM 1411 CD PRO A 95 56.771 -27.245 4.620 1.00 11.11 C ATOM 0 HA PRO A 95 57.147 -29.589 2.390 1.00 61.43 H new ATOM 0 HB2 PRO A 95 55.343 -30.235 4.401 1.00 5.21 H new ATOM 0 HB3 PRO A 95 57.057 -30.105 4.743 1.00 5.21 H new ATOM 0 HG2 PRO A 95 54.876 -28.078 5.199 1.00 71.31 H new ATOM 0 HG3 PRO A 95 56.203 -28.522 6.254 1.00 71.31 H new ATOM 0 HD2 PRO A 95 56.289 -26.273 4.722 1.00 11.11 H new ATOM 0 HD3 PRO A 95 57.742 -27.172 5.109 1.00 11.11 H new ATOM 1419 N ASP A 96 54.852 -30.191 1.559 1.00 12.23 N ATOM 1420 CA ASP A 96 53.646 -30.354 0.756 1.00 65.01 C ATOM 1421 C ASP A 96 52.741 -31.430 1.348 1.00 74.34 C ATOM 1422 O ASP A 96 51.528 -31.418 1.139 1.00 60.33 O ATOM 1423 CB ASP A 96 54.012 -30.715 -0.685 1.00 42.21 C ATOM 1424 CG ASP A 96 52.926 -30.333 -1.671 1.00 14.32 C ATOM 1425 OD1 ASP A 96 51.735 -30.490 -1.332 1.00 35.43 O ATOM 1426 OD2 ASP A 96 53.267 -29.877 -2.781 1.00 44.34 O ATOM 0 H ASP A 96 55.438 -31.024 1.613 1.00 12.23 H new ATOM 0 HA ASP A 96 53.106 -29.407 0.759 1.00 65.01 H new ATOM 0 HB2 ASP A 96 54.940 -30.212 -0.958 1.00 42.21 H new ATOM 0 HB3 ASP A 96 54.199 -31.787 -0.752 1.00 42.21 H new ATOM 1457 N SER A 100 58.231 -32.242 3.707 1.00 21.30 N ATOM 1458 CA SER A 100 59.000 -32.519 2.500 1.00 63.25 C ATOM 1459 C SER A 100 59.598 -31.236 1.931 1.00 4.22 C ATOM 1460 O SER A 100 60.095 -31.215 0.804 1.00 21.41 O ATOM 1461 CB SER A 100 58.116 -33.192 1.449 1.00 75.14 C ATOM 1462 OG SER A 100 58.885 -33.647 0.349 1.00 34.23 O ATOM 0 HA SER A 100 59.814 -33.193 2.765 1.00 63.25 H new ATOM 0 HB2 SER A 100 57.587 -34.032 1.899 1.00 75.14 H new ATOM 0 HB3 SER A 100 57.360 -32.488 1.101 1.00 75.14 H new ATOM 0 HG SER A 100 59.562 -32.975 0.123 1.00 34.23 H new ATOM 1468 N CYS A 101 59.549 -30.167 2.719 1.00 73.45 N ATOM 1469 CA CYS A 101 60.085 -28.879 2.295 1.00 33.12 C ATOM 1470 C CYS A 101 61.477 -29.041 1.693 1.00 3.34 C ATOM 1471 O CYS A 101 62.278 -29.850 2.164 1.00 33.50 O ATOM 1472 CB CYS A 101 60.137 -27.910 3.477 1.00 32.10 C ATOM 1473 SG CYS A 101 61.046 -28.539 4.908 1.00 32.45 S ATOM 0 H CYS A 101 59.143 -30.167 3.655 1.00 73.45 H new ATOM 0 HA CYS A 101 59.423 -28.472 1.530 1.00 33.12 H new ATOM 0 HB2 CYS A 101 60.597 -26.978 3.149 1.00 32.10 H new ATOM 0 HB3 CYS A 101 59.118 -27.672 3.783 1.00 32.10 H new ATOM 0 HG CYS A 101 61.324 -29.796 4.727 1.00 32.45 H new ATOM 1479 N HIS A 102 61.760 -28.267 0.650 1.00 35.52 N ATOM 1480 CA HIS A 102 63.055 -28.326 -0.017 1.00 75.43 C ATOM 1481 C HIS A 102 63.310 -27.054 -0.821 1.00 65.41 C ATOM 1482 O HIS A 102 62.468 -26.629 -1.614 1.00 23.32 O ATOM 1483 CB HIS A 102 63.126 -29.547 -0.935 1.00 35.30 C ATOM 1484 CG HIS A 102 62.032 -29.591 -1.958 1.00 44.25 C ATOM 1485 ND1 HIS A 102 60.731 -29.932 -1.655 1.00 55.53 N ATOM 1486 CD2 HIS A 102 62.053 -29.332 -3.287 1.00 2.11 C ATOM 1487 CE1 HIS A 102 59.998 -29.882 -2.753 1.00 44.12 C ATOM 1488 NE2 HIS A 102 60.777 -29.521 -3.758 1.00 34.40 N ATOM 0 H HIS A 102 61.109 -27.592 0.249 1.00 35.52 H new ATOM 0 HA HIS A 102 63.826 -28.412 0.748 1.00 75.43 H new ATOM 0 HB2 HIS A 102 64.089 -29.553 -1.445 1.00 35.30 H new ATOM 0 HB3 HIS A 102 63.081 -30.451 -0.328 1.00 35.30 H new ATOM 0 HD1 HIS A 102 60.388 -30.184 -0.728 1.00 55.53 H new ATOM 0 HD2 HIS A 102 62.913 -29.033 -3.868 1.00 2.11 H new ATOM 0 HE1 HIS A 102 58.942 -30.099 -2.818 1.00 44.12 H new ATOM 1496 N LEU A 103 64.474 -26.452 -0.613 1.00 1.44 N ATOM 1497 CA LEU A 103 64.841 -25.228 -1.318 1.00 72.24 C ATOM 1498 C LEU A 103 66.353 -25.130 -1.489 1.00 61.11 C ATOM 1499 O LEU A 103 67.115 -25.606 -0.648 1.00 71.31 O ATOM 1500 CB LEU A 103 64.321 -24.005 -0.560 1.00 53.43 C ATOM 1501 CG LEU A 103 64.311 -22.689 -1.339 1.00 14.34 C ATOM 1502 CD1 LEU A 103 65.718 -22.120 -1.442 1.00 14.51 C ATOM 1503 CD2 LEU A 103 63.712 -22.891 -2.722 1.00 4.51 C ATOM 0 H LEU A 103 65.182 -26.791 0.039 1.00 1.44 H new ATOM 0 HA LEU A 103 64.384 -25.256 -2.307 1.00 72.24 H new ATOM 0 HB2 LEU A 103 63.305 -24.214 -0.226 1.00 53.43 H new ATOM 0 HB3 LEU A 103 64.929 -23.870 0.334 1.00 53.43 H new ATOM 0 HG LEU A 103 63.690 -21.974 -0.799 1.00 14.34 H new ATOM 0 HD11 LEU A 103 65.692 -21.184 -1.999 1.00 14.51 H new ATOM 0 HD12 LEU A 103 66.110 -21.936 -0.442 1.00 14.51 H new ATOM 0 HD13 LEU A 103 66.361 -22.832 -1.959 1.00 14.51 H new ATOM 0 HD21 LEU A 103 63.713 -21.944 -3.261 1.00 4.51 H new ATOM 0 HD22 LEU A 103 64.304 -23.622 -3.272 1.00 4.51 H new ATOM 0 HD23 LEU A 103 62.688 -23.252 -2.626 1.00 4.51 H new ATOM 1515 N TRP A 104 66.780 -24.507 -2.582 1.00 60.34 N ATOM 1516 CA TRP A 104 68.202 -24.345 -2.863 1.00 52.20 C ATOM 1517 C TRP A 104 68.867 -23.466 -1.809 1.00 41.25 C ATOM 1518 O TRP A 104 68.519 -22.294 -1.653 1.00 64.23 O ATOM 1519 CB TRP A 104 68.402 -23.737 -4.252 1.00 62.10 C ATOM 1520 CG TRP A 104 67.591 -22.498 -4.481 1.00 13.21 C ATOM 1521 CD1 TRP A 104 66.311 -22.432 -4.951 1.00 14.00 C ATOM 1522 CD2 TRP A 104 68.006 -21.146 -4.252 1.00 64.30 C ATOM 1523 NE1 TRP A 104 65.905 -21.121 -5.028 1.00 32.30 N ATOM 1524 CE2 TRP A 104 66.926 -20.314 -4.604 1.00 43.42 C ATOM 1525 CE3 TRP A 104 69.184 -20.561 -3.782 1.00 52.33 C ATOM 1526 CZ2 TRP A 104 66.993 -18.927 -4.501 1.00 20.01 C ATOM 1527 CZ3 TRP A 104 69.249 -19.184 -3.681 1.00 11.02 C ATOM 1528 CH2 TRP A 104 68.158 -18.380 -4.038 1.00 41.44 C ATOM 0 H TRP A 104 66.162 -24.106 -3.288 1.00 60.34 H new ATOM 0 HA TRP A 104 68.668 -25.330 -2.835 1.00 52.20 H new ATOM 0 HB2 TRP A 104 69.458 -23.502 -4.389 1.00 62.10 H new ATOM 0 HB3 TRP A 104 68.140 -24.479 -5.006 1.00 62.10 H new ATOM 0 HD1 TRP A 104 65.706 -23.285 -5.222 1.00 14.00 H new ATOM 0 HE1 TRP A 104 64.991 -20.801 -5.349 1.00 32.30 H new ATOM 0 HE3 TRP A 104 70.029 -21.173 -3.503 1.00 52.33 H new ATOM 0 HZ2 TRP A 104 66.154 -18.305 -4.777 1.00 20.01 H new ATOM 0 HZ3 TRP A 104 70.155 -18.720 -3.321 1.00 11.02 H new ATOM 0 HH2 TRP A 104 68.239 -17.307 -3.946 1.00 41.44 H new ATOM 1539 N LEU A 105 69.825 -24.036 -1.088 1.00 21.24 N ATOM 1540 CA LEU A 105 70.540 -23.304 -0.048 1.00 62.13 C ATOM 1541 C LEU A 105 71.826 -22.696 -0.598 1.00 15.44 C ATOM 1542 O LEU A 105 72.311 -23.093 -1.656 1.00 71.42 O ATOM 1543 CB LEU A 105 70.861 -24.229 1.126 1.00 34.53 C ATOM 1544 CG LEU A 105 71.052 -25.707 0.784 1.00 22.34 C ATOM 1545 CD1 LEU A 105 72.272 -25.896 -0.105 1.00 35.24 C ATOM 1546 CD2 LEU A 105 71.180 -26.537 2.053 1.00 13.31 C ATOM 0 H LEU A 105 70.125 -25.004 -1.204 1.00 21.24 H new ATOM 0 HA LEU A 105 69.897 -22.496 0.301 1.00 62.13 H new ATOM 0 HB2 LEU A 105 71.769 -23.868 1.609 1.00 34.53 H new ATOM 0 HB3 LEU A 105 70.057 -24.147 1.857 1.00 34.53 H new ATOM 0 HG LEU A 105 70.173 -26.050 0.238 1.00 22.34 H new ATOM 0 HD11 LEU A 105 72.392 -26.954 -0.338 1.00 35.24 H new ATOM 0 HD12 LEU A 105 72.139 -25.334 -1.029 1.00 35.24 H new ATOM 0 HD13 LEU A 105 73.160 -25.536 0.414 1.00 35.24 H new ATOM 0 HD21 LEU A 105 71.315 -27.586 1.790 1.00 13.31 H new ATOM 0 HD22 LEU A 105 72.040 -26.193 2.627 1.00 13.31 H new ATOM 0 HD23 LEU A 105 70.276 -26.427 2.652 1.00 13.31 H new ATOM 1558 N GLY A 106 72.376 -21.729 0.132 1.00 25.04 N ATOM 1559 CA GLY A 106 73.602 -21.083 -0.297 1.00 2.21 C ATOM 1560 C GLY A 106 74.840 -21.765 0.252 1.00 65.44 C ATOM 1561 O GLY A 106 74.766 -22.507 1.232 1.00 53.22 O ATOM 0 H GLY A 106 71.994 -21.382 1.012 1.00 25.04 H new ATOM 0 HA2 GLY A 106 73.645 -21.080 -1.386 1.00 2.21 H new ATOM 0 HA3 GLY A 106 73.592 -20.042 0.025 1.00 2.21 H new ATOM 1565 N ARG A 107 75.981 -21.517 -0.384 1.00 34.05 N ATOM 1566 CA ARG A 107 77.240 -22.115 0.046 1.00 62.34 C ATOM 1567 C ARG A 107 77.646 -21.599 1.423 1.00 40.24 C ATOM 1568 O ARG A 107 77.218 -20.527 1.846 1.00 74.43 O ATOM 1569 CB ARG A 107 78.343 -21.815 -0.971 1.00 11.32 C ATOM 1570 CG ARG A 107 78.946 -20.427 -0.823 1.00 23.55 C ATOM 1571 CD ARG A 107 79.094 -19.738 -2.171 1.00 22.11 C ATOM 1572 NE ARG A 107 77.845 -19.123 -2.612 1.00 3.05 N ATOM 1573 CZ ARG A 107 77.373 -17.984 -2.117 1.00 62.40 C ATOM 1574 NH1 ARG A 107 78.041 -17.341 -1.171 1.00 2.43 N ATOM 1575 NH2 ARG A 107 76.228 -17.487 -2.569 1.00 5.31 N ATOM 0 H ARG A 107 76.059 -20.907 -1.198 1.00 34.05 H new ATOM 0 HA ARG A 107 77.098 -23.194 0.111 1.00 62.34 H new ATOM 0 HB2 ARG A 107 79.133 -22.558 -0.867 1.00 11.32 H new ATOM 0 HB3 ARG A 107 77.937 -21.920 -1.977 1.00 11.32 H new ATOM 0 HG2 ARG A 107 78.315 -19.822 -0.171 1.00 23.55 H new ATOM 0 HG3 ARG A 107 79.921 -20.502 -0.342 1.00 23.55 H new ATOM 0 HD2 ARG A 107 79.870 -18.975 -2.105 1.00 22.11 H new ATOM 0 HD3 ARG A 107 79.423 -20.464 -2.915 1.00 22.11 H new ATOM 0 HE ARG A 107 77.306 -19.593 -3.339 1.00 3.05 H new ATOM 0 HH11 ARG A 107 78.921 -17.720 -0.820 1.00 2.43 H new ATOM 0 HH12 ARG A 107 77.676 -16.467 -0.793 1.00 2.43 H new ATOM 0 HH21 ARG A 107 75.710 -17.980 -3.297 1.00 5.31 H new ATOM 0 HH22 ARG A 107 75.866 -16.613 -2.189 1.00 5.31 H new ATOM 1589 N GLY A 108 78.477 -22.371 2.116 1.00 15.50 N ATOM 1590 CA GLY A 108 78.927 -21.974 3.438 1.00 21.35 C ATOM 1591 C GLY A 108 79.993 -22.900 3.989 1.00 4.32 C ATOM 1592 O GLY A 108 79.715 -24.052 4.322 1.00 32.31 O ATOM 0 H GLY A 108 78.846 -23.263 1.787 1.00 15.50 H new ATOM 0 HA2 GLY A 108 79.319 -20.958 3.395 1.00 21.35 H new ATOM 0 HA3 GLY A 108 78.076 -21.959 4.119 1.00 21.35 H new ATOM 1596 N VAL A 109 81.220 -22.397 4.085 1.00 45.22 N ATOM 1597 CA VAL A 109 82.333 -23.187 4.598 1.00 74.10 C ATOM 1598 C VAL A 109 82.377 -23.148 6.122 1.00 25.40 C ATOM 1599 O VAL A 109 82.254 -22.095 6.745 1.00 51.43 O ATOM 1600 CB VAL A 109 83.680 -22.686 4.043 1.00 33.42 C ATOM 1601 CG1 VAL A 109 83.896 -21.225 4.405 1.00 55.03 C ATOM 1602 CG2 VAL A 109 84.822 -23.546 4.562 1.00 33.33 C ATOM 0 H VAL A 109 81.468 -21.445 3.814 1.00 45.22 H new ATOM 0 HA VAL A 109 82.172 -24.213 4.268 1.00 74.10 H new ATOM 0 HB VAL A 109 83.659 -22.767 2.956 1.00 33.42 H new ATOM 0 HG11 VAL A 109 84.852 -20.889 4.005 1.00 55.03 H new ATOM 0 HG12 VAL A 109 83.093 -20.622 3.981 1.00 55.03 H new ATOM 0 HG13 VAL A 109 83.898 -21.115 5.489 1.00 55.03 H new ATOM 0 HG21 VAL A 109 85.766 -23.178 4.160 1.00 33.33 H new ATOM 0 HG22 VAL A 109 84.848 -23.498 5.651 1.00 33.33 H new ATOM 0 HG23 VAL A 109 84.672 -24.579 4.248 1.00 33.33 H new ATOM 1612 N PRO A 110 82.556 -24.327 6.738 1.00 3.34 N ATOM 1613 CA PRO A 110 82.622 -24.455 8.197 1.00 0.50 C ATOM 1614 C PRO A 110 83.895 -23.846 8.775 1.00 2.23 C ATOM 1615 O PRO A 110 84.836 -23.512 8.054 1.00 12.02 O ATOM 1616 CB PRO A 110 82.604 -25.969 8.421 1.00 31.30 C ATOM 1617 CG PRO A 110 83.152 -26.545 7.162 1.00 61.33 C ATOM 1618 CD PRO A 110 82.710 -25.624 6.058 1.00 4.32 C ATOM 0 HA PRO A 110 81.805 -23.928 8.690 1.00 0.50 H new ATOM 0 HB2 PRO A 110 83.211 -26.249 9.282 1.00 31.30 H new ATOM 0 HB3 PRO A 110 81.593 -26.329 8.614 1.00 31.30 H new ATOM 0 HG2 PRO A 110 84.239 -26.610 7.204 1.00 61.33 H new ATOM 0 HG3 PRO A 110 82.778 -27.556 7.000 1.00 61.33 H new ATOM 0 HD2 PRO A 110 83.448 -25.573 5.257 1.00 4.32 H new ATOM 0 HD3 PRO A 110 81.774 -25.956 5.608 1.00 4.32 H new