USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=13 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 31 SER OG : rot -63:sc= 0.515 USER MOD Set 1.2: A 80 THR OG1 : rot 171:sc= -1.08! USER MOD Set 1.3: A 87 ASN : amide:sc= -6.47! C(o=-7!,f=-9.8!) USER MOD Single : A 25 THR OG1 : rot 48:sc= -4.62! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.962 USER MOD Single : A 34 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 49:sc= 0.0296 USER MOD Single : A 100 SER OG : rot -15:sc= 0.467 USER MOD Single : A 101 CYS SG : rot 42:sc= -0.0259 USER MOD Single : A 102 HIS : no HD1:sc= -0.0988 X(o=-0.099,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 356 N THR A 25 68.300 -38.401 4.992 1.00 41.31 N ATOM 357 CA THR A 25 69.565 -37.742 4.692 1.00 2.41 C ATOM 358 C THR A 25 70.263 -37.287 5.969 1.00 71.44 C ATOM 359 O THR A 25 69.794 -36.381 6.656 1.00 43.43 O ATOM 360 CB THR A 25 69.359 -36.524 3.771 1.00 73.12 C ATOM 361 OG1 THR A 25 70.464 -35.622 3.899 1.00 11.22 O ATOM 362 CG2 THR A 25 68.065 -35.801 4.112 1.00 24.23 C ATOM 0 HA THR A 25 70.190 -38.474 4.180 1.00 2.41 H new ATOM 0 HB THR A 25 69.297 -36.879 2.742 1.00 73.12 H new ATOM 0 HG1 THR A 25 71.304 -36.123 3.835 1.00 11.22 H new ATOM 0 HG21 THR A 25 67.941 -34.945 3.449 1.00 24.23 H new ATOM 0 HG22 THR A 25 67.224 -36.482 3.986 1.00 24.23 H new ATOM 0 HG23 THR A 25 68.102 -35.457 5.146 1.00 24.23 H new ATOM 370 N SER A 26 71.389 -37.923 6.279 1.00 70.21 N ATOM 371 CA SER A 26 72.152 -37.586 7.476 1.00 3.03 C ATOM 372 C SER A 26 72.911 -36.276 7.285 1.00 4.23 C ATOM 373 O SER A 26 73.702 -36.134 6.353 1.00 52.01 O ATOM 374 CB SER A 26 73.131 -38.710 7.816 1.00 33.21 C ATOM 375 OG SER A 26 72.642 -39.506 8.883 1.00 42.25 O ATOM 0 H SER A 26 71.793 -38.674 5.719 1.00 70.21 H new ATOM 0 HA SER A 26 71.451 -37.463 8.301 1.00 3.03 H new ATOM 0 HB2 SER A 26 73.293 -39.334 6.937 1.00 33.21 H new ATOM 0 HB3 SER A 26 74.097 -38.285 8.088 1.00 33.21 H new ATOM 0 HG SER A 26 73.285 -40.219 9.081 1.00 42.25 H new ATOM 381 N ALA A 27 72.663 -35.320 8.175 1.00 51.23 N ATOM 382 CA ALA A 27 73.324 -34.023 8.106 1.00 2.21 C ATOM 383 C ALA A 27 73.593 -33.470 9.502 1.00 23.15 C ATOM 384 O ALA A 27 73.010 -33.926 10.486 1.00 53.12 O ATOM 385 CB ALA A 27 72.482 -33.043 7.302 1.00 50.52 C ATOM 0 H ALA A 27 72.009 -35.420 8.952 1.00 51.23 H new ATOM 0 HA ALA A 27 74.283 -34.158 7.605 1.00 2.21 H new ATOM 0 HB1 ALA A 27 72.988 -32.079 7.259 1.00 50.52 H new ATOM 0 HB2 ALA A 27 72.344 -33.426 6.291 1.00 50.52 H new ATOM 0 HB3 ALA A 27 71.510 -32.922 7.780 1.00 50.52 H new ATOM 391 N THR A 28 74.481 -32.484 9.581 1.00 21.44 N ATOM 392 CA THR A 28 74.830 -31.870 10.856 1.00 55.41 C ATOM 393 C THR A 28 74.757 -30.350 10.773 1.00 11.33 C ATOM 394 O THR A 28 75.755 -29.685 10.495 1.00 44.30 O ATOM 395 CB THR A 28 76.243 -32.280 11.310 1.00 12.04 C ATOM 396 OG1 THR A 28 76.253 -33.659 11.697 1.00 40.13 O ATOM 397 CG2 THR A 28 76.709 -31.418 12.474 1.00 62.05 C ATOM 0 H THR A 28 74.972 -32.093 8.777 1.00 21.44 H new ATOM 0 HA THR A 28 74.104 -32.227 11.587 1.00 55.41 H new ATOM 0 HB THR A 28 76.926 -32.133 10.473 1.00 12.04 H new ATOM 0 HG1 THR A 28 77.156 -33.912 11.983 1.00 40.13 H new ATOM 0 HG21 THR A 28 77.710 -31.726 12.777 1.00 62.05 H new ATOM 0 HG22 THR A 28 76.729 -30.372 12.167 1.00 62.05 H new ATOM 0 HG23 THR A 28 76.023 -31.537 13.313 1.00 62.05 H new ATOM 405 N ILE A 29 73.569 -29.805 11.016 1.00 71.21 N ATOM 406 CA ILE A 29 73.367 -28.362 10.970 1.00 52.54 C ATOM 407 C ILE A 29 74.498 -27.625 11.679 1.00 55.02 C ATOM 408 O ILE A 29 74.877 -27.974 12.797 1.00 35.31 O ATOM 409 CB ILE A 29 72.025 -27.960 11.613 1.00 64.45 C ATOM 410 CG1 ILE A 29 71.705 -28.881 12.792 1.00 43.11 C ATOM 411 CG2 ILE A 29 70.910 -28.004 10.580 1.00 52.44 C ATOM 412 CD1 ILE A 29 70.476 -28.462 13.568 1.00 21.24 C ATOM 0 H ILE A 29 72.732 -30.341 11.247 1.00 71.21 H new ATOM 0 HA ILE A 29 73.356 -28.079 9.917 1.00 52.54 H new ATOM 0 HB ILE A 29 72.107 -26.939 11.986 1.00 64.45 H new ATOM 0 HG12 ILE A 29 71.563 -29.896 12.422 1.00 43.11 H new ATOM 0 HG13 ILE A 29 72.561 -28.905 13.467 1.00 43.11 H new ATOM 0 HG21 ILE A 29 69.968 -27.718 11.049 1.00 52.44 H new ATOM 0 HG22 ILE A 29 71.137 -27.311 9.770 1.00 52.44 H new ATOM 0 HG23 ILE A 29 70.824 -29.014 10.180 1.00 52.44 H new ATOM 0 HD11 ILE A 29 70.309 -29.159 14.389 1.00 21.24 H new ATOM 0 HD12 ILE A 29 70.623 -27.459 13.968 1.00 21.24 H new ATOM 0 HD13 ILE A 29 69.609 -28.466 12.907 1.00 21.24 H new ATOM 424 N THR A 30 75.035 -26.603 11.021 1.00 43.40 N ATOM 425 CA THR A 30 76.123 -25.815 11.587 1.00 15.11 C ATOM 426 C THR A 30 76.136 -24.403 11.014 1.00 61.53 C ATOM 427 O THR A 30 76.607 -24.181 9.898 1.00 52.43 O ATOM 428 CB THR A 30 77.489 -26.476 11.328 1.00 62.34 C ATOM 429 OG1 THR A 30 77.452 -27.851 11.725 1.00 32.32 O ATOM 430 CG2 THR A 30 78.593 -25.754 12.086 1.00 64.14 C ATOM 0 H THR A 30 74.734 -26.301 10.094 1.00 43.40 H new ATOM 0 HA THR A 30 75.951 -25.765 12.662 1.00 15.11 H new ATOM 0 HB THR A 30 77.701 -26.412 10.261 1.00 62.34 H new ATOM 0 HG1 THR A 30 78.359 -28.221 11.707 1.00 32.32 H new ATOM 0 HG21 THR A 30 79.548 -26.239 11.887 1.00 64.14 H new ATOM 0 HG22 THR A 30 78.639 -24.715 11.760 1.00 64.14 H new ATOM 0 HG23 THR A 30 78.384 -25.790 13.155 1.00 64.14 H new ATOM 438 N SER A 31 75.619 -23.451 11.784 1.00 11.12 N ATOM 439 CA SER A 31 75.569 -22.060 11.350 1.00 71.13 C ATOM 440 C SER A 31 75.968 -21.122 12.486 1.00 71.21 C ATOM 441 O SER A 31 75.132 -20.408 13.038 1.00 23.32 O ATOM 442 CB SER A 31 74.166 -21.709 10.853 1.00 5.32 C ATOM 443 OG SER A 31 74.208 -20.648 9.914 1.00 43.33 O ATOM 0 H SER A 31 75.229 -23.618 12.712 1.00 11.12 H new ATOM 0 HA SER A 31 76.278 -21.935 10.532 1.00 71.13 H new ATOM 0 HB2 SER A 31 73.709 -22.586 10.395 1.00 5.32 H new ATOM 0 HB3 SER A 31 73.538 -21.427 11.698 1.00 5.32 H new ATOM 0 HG SER A 31 74.553 -19.840 10.348 1.00 43.33 H new ATOM 449 N GLY A 32 77.253 -21.130 12.829 1.00 53.45 N ATOM 450 CA GLY A 32 77.740 -20.278 13.896 1.00 21.42 C ATOM 451 C GLY A 32 79.232 -20.426 14.120 1.00 21.51 C ATOM 452 O GLY A 32 79.857 -21.347 13.594 1.00 54.23 O ATOM 0 H GLY A 32 77.964 -21.712 12.386 1.00 53.45 H new ATOM 0 HA2 GLY A 32 77.512 -19.239 13.660 1.00 21.42 H new ATOM 0 HA3 GLY A 32 77.211 -20.518 14.819 1.00 21.42 H new ATOM 456 N GLU A 33 79.805 -19.516 14.902 1.00 74.45 N ATOM 457 CA GLU A 33 81.234 -19.549 15.192 1.00 63.44 C ATOM 458 C GLU A 33 81.668 -20.945 15.634 1.00 2.15 C ATOM 459 O GLU A 33 82.838 -21.307 15.518 1.00 41.53 O ATOM 460 CB GLU A 33 81.581 -18.528 16.276 1.00 31.52 C ATOM 461 CG GLU A 33 80.850 -18.761 17.588 1.00 25.23 C ATOM 462 CD GLU A 33 81.480 -18.014 18.747 1.00 24.02 C ATOM 463 OE1 GLU A 33 81.134 -16.831 18.950 1.00 61.31 O ATOM 464 OE2 GLU A 33 82.319 -18.613 19.453 1.00 3.14 O ATOM 0 H GLU A 33 79.302 -18.748 15.346 1.00 74.45 H new ATOM 0 HA GLU A 33 81.770 -19.293 14.278 1.00 63.44 H new ATOM 0 HB2 GLU A 33 82.655 -18.555 16.459 1.00 31.52 H new ATOM 0 HB3 GLU A 33 81.345 -17.528 15.911 1.00 31.52 H new ATOM 0 HG2 GLU A 33 79.811 -18.449 17.481 1.00 25.23 H new ATOM 0 HG3 GLU A 33 80.841 -19.828 17.810 1.00 25.23 H new ATOM 471 N GLN A 34 80.716 -21.720 16.142 1.00 53.34 N ATOM 472 CA GLN A 34 80.998 -23.074 16.602 1.00 32.14 C ATOM 473 C GLN A 34 79.716 -23.788 17.015 1.00 22.13 C ATOM 474 O GLN A 34 79.254 -23.650 18.148 1.00 21.41 O ATOM 475 CB GLN A 34 81.979 -23.042 17.777 1.00 5.01 C ATOM 476 CG GLN A 34 82.912 -24.240 17.824 1.00 65.31 C ATOM 477 CD GLN A 34 84.255 -23.910 18.445 1.00 40.10 C ATOM 478 OE1 GLN A 34 84.777 -22.808 18.275 1.00 2.42 O ATOM 479 NE2 GLN A 34 84.823 -24.866 19.170 1.00 63.35 N ATOM 0 H GLN A 34 79.743 -21.433 16.245 1.00 53.34 H new ATOM 0 HA GLN A 34 81.448 -23.624 15.776 1.00 32.14 H new ATOM 0 HB2 GLN A 34 82.574 -22.131 17.718 1.00 5.01 H new ATOM 0 HB3 GLN A 34 81.415 -22.994 18.709 1.00 5.01 H new ATOM 0 HG2 GLN A 34 82.440 -25.041 18.393 1.00 65.31 H new ATOM 0 HG3 GLN A 34 83.066 -24.615 16.812 1.00 65.31 H new ATOM 0 HE21 GLN A 34 84.355 -25.765 19.285 1.00 63.35 H new ATOM 0 HE22 GLN A 34 85.727 -24.702 19.612 1.00 63.35 H new ATOM 488 N SER A 35 79.144 -24.551 16.089 1.00 11.04 N ATOM 489 CA SER A 35 77.911 -25.284 16.356 1.00 21.32 C ATOM 490 C SER A 35 77.907 -26.622 15.624 1.00 42.44 C ATOM 491 O SER A 35 78.711 -26.852 14.721 1.00 12.20 O ATOM 492 CB SER A 35 76.698 -24.453 15.933 1.00 52.14 C ATOM 493 OG SER A 35 75.739 -24.385 16.974 1.00 33.42 O ATOM 0 H SER A 35 79.514 -24.678 15.147 1.00 11.04 H new ATOM 0 HA SER A 35 77.854 -25.476 17.427 1.00 21.32 H new ATOM 0 HB2 SER A 35 77.019 -23.447 15.663 1.00 52.14 H new ATOM 0 HB3 SER A 35 76.244 -24.892 15.044 1.00 52.14 H new ATOM 0 HG SER A 35 74.974 -23.847 16.680 1.00 33.42 H new ATOM 499 N GLY A 36 76.992 -27.502 16.020 1.00 40.22 N ATOM 500 CA GLY A 36 76.898 -28.808 15.392 1.00 23.34 C ATOM 501 C GLY A 36 75.781 -29.651 15.974 1.00 44.24 C ATOM 502 O GLY A 36 75.995 -30.410 16.919 1.00 30.24 O ATOM 0 H GLY A 36 76.315 -27.334 16.764 1.00 40.22 H new ATOM 0 HA2 GLY A 36 76.735 -28.682 14.322 1.00 23.34 H new ATOM 0 HA3 GLY A 36 77.845 -29.334 15.510 1.00 23.34 H new ATOM 506 N ALA A 37 74.586 -29.519 15.408 1.00 31.15 N ATOM 507 CA ALA A 37 73.431 -30.276 15.876 1.00 33.33 C ATOM 508 C ALA A 37 73.073 -31.391 14.900 1.00 42.22 C ATOM 509 O ALA A 37 73.805 -31.652 13.945 1.00 54.33 O ATOM 510 CB ALA A 37 72.241 -29.350 16.082 1.00 35.32 C ATOM 0 H ALA A 37 74.392 -28.895 14.625 1.00 31.15 H new ATOM 0 HA ALA A 37 73.691 -30.734 16.830 1.00 33.33 H new ATOM 0 HB1 ALA A 37 71.386 -29.929 16.431 1.00 35.32 H new ATOM 0 HB2 ALA A 37 72.494 -28.592 16.824 1.00 35.32 H new ATOM 0 HB3 ALA A 37 71.990 -28.865 15.139 1.00 35.32 H new ATOM 516 N VAL A 38 71.943 -32.047 15.146 1.00 20.03 N ATOM 517 CA VAL A 38 71.488 -33.134 14.289 1.00 62.03 C ATOM 518 C VAL A 38 70.419 -32.654 13.314 1.00 21.02 C ATOM 519 O VAL A 38 69.360 -32.178 13.724 1.00 71.23 O ATOM 520 CB VAL A 38 70.925 -34.304 15.116 1.00 14.42 C ATOM 521 CG1 VAL A 38 70.620 -35.495 14.220 1.00 2.12 C ATOM 522 CG2 VAL A 38 71.897 -34.692 16.220 1.00 40.21 C ATOM 0 H VAL A 38 71.326 -31.844 15.932 1.00 20.03 H new ATOM 0 HA VAL A 38 72.357 -33.480 13.730 1.00 62.03 H new ATOM 0 HB VAL A 38 69.993 -33.982 15.580 1.00 14.42 H new ATOM 0 HG11 VAL A 38 70.223 -36.312 14.823 1.00 2.12 H new ATOM 0 HG12 VAL A 38 69.884 -35.207 13.470 1.00 2.12 H new ATOM 0 HG13 VAL A 38 71.534 -35.821 13.724 1.00 2.12 H new ATOM 0 HG21 VAL A 38 71.483 -35.521 16.795 1.00 40.21 H new ATOM 0 HG22 VAL A 38 72.847 -34.995 15.779 1.00 40.21 H new ATOM 0 HG23 VAL A 38 72.059 -33.839 16.879 1.00 40.21 H new ATOM 532 N ILE A 39 70.702 -32.783 12.022 1.00 24.42 N ATOM 533 CA ILE A 39 69.764 -32.364 10.989 1.00 2.31 C ATOM 534 C ILE A 39 69.690 -33.390 9.863 1.00 70.11 C ATOM 535 O ILE A 39 70.660 -34.098 9.591 1.00 25.33 O ATOM 536 CB ILE A 39 70.153 -30.996 10.397 1.00 42.43 C ATOM 537 CG1 ILE A 39 69.025 -30.460 9.512 1.00 13.24 C ATOM 538 CG2 ILE A 39 71.446 -31.110 9.604 1.00 73.03 C ATOM 539 CD1 ILE A 39 69.278 -30.644 8.032 1.00 22.35 C ATOM 0 H ILE A 39 71.574 -33.175 11.666 1.00 24.42 H new ATOM 0 HA ILE A 39 68.787 -32.281 11.465 1.00 2.31 H new ATOM 0 HB ILE A 39 70.313 -30.294 11.216 1.00 42.43 H new ATOM 0 HG12 ILE A 39 68.095 -30.963 9.779 1.00 13.24 H new ATOM 0 HG13 ILE A 39 68.885 -29.399 9.719 1.00 13.24 H new ATOM 0 HG21 ILE A 39 71.707 -30.135 9.192 1.00 73.03 H new ATOM 0 HG22 ILE A 39 72.246 -31.453 10.260 1.00 73.03 H new ATOM 0 HG23 ILE A 39 71.312 -31.823 8.791 1.00 73.03 H new ATOM 0 HD11 ILE A 39 68.438 -30.241 7.466 1.00 22.35 H new ATOM 0 HD12 ILE A 39 70.190 -30.118 7.751 1.00 22.35 H new ATOM 0 HD13 ILE A 39 69.388 -31.706 7.811 1.00 22.35 H new ATOM 551 N ARG A 40 68.534 -33.464 9.212 1.00 65.23 N ATOM 552 CA ARG A 40 68.335 -34.404 8.115 1.00 21.12 C ATOM 553 C ARG A 40 68.164 -33.665 6.791 1.00 44.10 C ATOM 554 O ARG A 40 67.045 -33.448 6.328 1.00 15.31 O ATOM 555 CB ARG A 40 67.110 -35.281 8.383 1.00 61.31 C ATOM 556 CG ARG A 40 67.046 -35.818 9.804 1.00 1.31 C ATOM 557 CD ARG A 40 68.269 -36.656 10.139 1.00 43.23 C ATOM 558 NE ARG A 40 68.209 -37.194 11.495 1.00 72.20 N ATOM 559 CZ ARG A 40 69.272 -37.633 12.159 1.00 62.41 C ATOM 560 NH1 ARG A 40 70.472 -37.597 11.596 1.00 42.45 N ATOM 561 NH2 ARG A 40 69.137 -38.109 13.391 1.00 61.03 N ATOM 0 H ARG A 40 67.722 -32.885 9.425 1.00 65.23 H new ATOM 0 HA ARG A 40 69.219 -35.037 8.047 1.00 21.12 H new ATOM 0 HB2 ARG A 40 66.208 -34.703 8.181 1.00 61.31 H new ATOM 0 HB3 ARG A 40 67.114 -36.119 7.686 1.00 61.31 H new ATOM 0 HG2 ARG A 40 66.970 -34.987 10.505 1.00 1.31 H new ATOM 0 HG3 ARG A 40 66.146 -36.421 9.926 1.00 1.31 H new ATOM 0 HD2 ARG A 40 68.352 -37.477 9.427 1.00 43.23 H new ATOM 0 HD3 ARG A 40 69.167 -36.047 10.030 1.00 43.23 H new ATOM 0 HE ARG A 40 67.301 -37.235 11.958 1.00 72.20 H new ATOM 0 HH11 ARG A 40 70.581 -37.231 10.650 1.00 42.45 H new ATOM 0 HH12 ARG A 40 71.286 -37.935 12.109 1.00 42.45 H new ATOM 0 HH21 ARG A 40 68.216 -38.138 13.829 1.00 61.03 H new ATOM 0 HH22 ARG A 40 69.954 -38.446 13.900 1.00 61.03 H new ATOM 575 N GLY A 41 69.283 -33.279 6.185 1.00 72.01 N ATOM 576 CA GLY A 41 69.236 -32.568 4.921 1.00 52.05 C ATOM 577 C GLY A 41 70.323 -33.016 3.964 1.00 45.00 C ATOM 578 O GLY A 41 71.468 -33.223 4.365 1.00 12.23 O ATOM 0 H GLY A 41 70.222 -33.446 6.547 1.00 72.01 H new ATOM 0 HA2 GLY A 41 68.262 -32.722 4.457 1.00 52.05 H new ATOM 0 HA3 GLY A 41 69.336 -31.498 5.105 1.00 52.05 H new ATOM 582 N VAL A 42 69.964 -33.165 2.692 1.00 64.42 N ATOM 583 CA VAL A 42 70.918 -33.590 1.675 1.00 44.23 C ATOM 584 C VAL A 42 70.992 -32.581 0.533 1.00 12.24 C ATOM 585 O VAL A 42 69.970 -32.065 0.080 1.00 12.13 O ATOM 586 CB VAL A 42 70.548 -34.971 1.100 1.00 32.42 C ATOM 587 CG1 VAL A 42 69.057 -35.045 0.806 1.00 24.23 C ATOM 588 CG2 VAL A 42 71.361 -35.263 -0.151 1.00 64.33 C ATOM 0 H VAL A 42 69.021 -32.998 2.342 1.00 64.42 H new ATOM 0 HA VAL A 42 71.891 -33.655 2.162 1.00 44.23 H new ATOM 0 HB VAL A 42 70.786 -35.730 1.845 1.00 32.42 H new ATOM 0 HG11 VAL A 42 68.814 -36.027 0.401 1.00 24.23 H new ATOM 0 HG12 VAL A 42 68.496 -34.884 1.727 1.00 24.23 H new ATOM 0 HG13 VAL A 42 68.791 -34.277 0.080 1.00 24.23 H new ATOM 0 HG21 VAL A 42 71.086 -36.242 -0.543 1.00 64.33 H new ATOM 0 HG22 VAL A 42 71.158 -34.501 -0.903 1.00 64.33 H new ATOM 0 HG23 VAL A 42 72.423 -35.256 0.095 1.00 64.33 H new ATOM 598 N PHE A 43 72.207 -32.304 0.073 1.00 34.23 N ATOM 599 CA PHE A 43 72.415 -31.356 -1.014 1.00 11.21 C ATOM 600 C PHE A 43 72.455 -32.073 -2.361 1.00 14.24 C ATOM 601 O PHE A 43 73.061 -33.136 -2.492 1.00 61.33 O ATOM 602 CB PHE A 43 73.715 -30.577 -0.800 1.00 74.51 C ATOM 603 CG PHE A 43 74.924 -31.260 -1.372 1.00 4.42 C ATOM 604 CD1 PHE A 43 75.382 -32.452 -0.835 1.00 50.24 C ATOM 605 CD2 PHE A 43 75.603 -30.708 -2.447 1.00 55.13 C ATOM 606 CE1 PHE A 43 76.494 -33.084 -1.359 1.00 45.44 C ATOM 607 CE2 PHE A 43 76.715 -31.336 -2.976 1.00 22.45 C ATOM 608 CZ PHE A 43 77.162 -32.524 -2.431 1.00 10.13 C ATOM 0 H PHE A 43 73.063 -32.723 0.437 1.00 34.23 H new ATOM 0 HA PHE A 43 71.578 -30.658 -1.018 1.00 11.21 H new ATOM 0 HB2 PHE A 43 73.617 -29.590 -1.253 1.00 74.51 H new ATOM 0 HB3 PHE A 43 73.866 -30.424 0.269 1.00 74.51 H new ATOM 0 HD1 PHE A 43 74.864 -32.893 0.004 1.00 50.24 H new ATOM 0 HD2 PHE A 43 75.260 -29.778 -2.876 1.00 55.13 H new ATOM 0 HE1 PHE A 43 76.840 -34.013 -0.931 1.00 45.44 H new ATOM 0 HE2 PHE A 43 77.234 -30.898 -3.815 1.00 22.45 H new ATOM 0 HZ PHE A 43 78.032 -33.014 -2.842 1.00 10.13 H new ATOM 618 N ASP A 44 71.804 -31.483 -3.358 1.00 23.54 N ATOM 619 CA ASP A 44 71.765 -32.064 -4.694 1.00 43.01 C ATOM 620 C ASP A 44 72.421 -31.134 -5.710 1.00 64.31 C ATOM 621 O ASP A 44 72.050 -29.965 -5.827 1.00 62.43 O ATOM 622 CB ASP A 44 70.321 -32.353 -5.106 1.00 5.32 C ATOM 623 CG ASP A 44 70.223 -33.462 -6.134 1.00 42.23 C ATOM 624 OD1 ASP A 44 70.239 -34.645 -5.735 1.00 1.23 O ATOM 625 OD2 ASP A 44 70.128 -33.147 -7.339 1.00 23.02 O ATOM 0 H ASP A 44 71.296 -30.603 -3.266 1.00 23.54 H new ATOM 0 HA ASP A 44 72.322 -33.001 -4.673 1.00 43.01 H new ATOM 0 HB2 ASP A 44 69.743 -32.627 -4.224 1.00 5.32 H new ATOM 0 HB3 ASP A 44 69.873 -31.445 -5.511 1.00 5.32 H new ATOM 630 N ASP A 45 73.397 -31.660 -6.442 1.00 43.33 N ATOM 631 CA ASP A 45 74.104 -30.877 -7.449 1.00 64.41 C ATOM 632 C ASP A 45 73.741 -31.344 -8.856 1.00 33.22 C ATOM 633 O ASP A 45 74.170 -32.404 -9.314 1.00 50.33 O ATOM 634 CB ASP A 45 75.615 -30.982 -7.238 1.00 23.21 C ATOM 635 CG ASP A 45 76.039 -32.357 -6.761 1.00 30.41 C ATOM 636 OD1 ASP A 45 75.436 -33.352 -7.211 1.00 71.54 O ATOM 637 OD2 ASP A 45 76.975 -32.437 -5.937 1.00 15.44 O ATOM 0 H ASP A 45 73.717 -32.625 -6.357 1.00 43.33 H new ATOM 0 HA ASP A 45 73.801 -29.836 -7.342 1.00 64.41 H new ATOM 0 HB2 ASP A 45 76.126 -30.751 -8.173 1.00 23.21 H new ATOM 0 HB3 ASP A 45 75.930 -30.235 -6.510 1.00 23.21 H new ATOM 877 N PRO A 63 73.125 -25.955 -4.978 1.00 45.25 N ATOM 878 CA PRO A 63 72.526 -27.288 -4.869 1.00 54.24 C ATOM 879 C PRO A 63 71.120 -27.245 -4.279 1.00 72.10 C ATOM 880 O PRO A 63 70.637 -26.186 -3.879 1.00 12.14 O ATOM 881 CB PRO A 63 73.479 -28.030 -3.929 1.00 12.41 C ATOM 882 CG PRO A 63 74.123 -26.958 -3.120 1.00 3.11 C ATOM 883 CD PRO A 63 74.234 -25.763 -4.028 1.00 54.51 C ATOM 0 HA PRO A 63 72.411 -27.764 -5.843 1.00 54.24 H new ATOM 0 HB2 PRO A 63 72.941 -28.735 -3.295 1.00 12.41 H new ATOM 0 HB3 PRO A 63 74.219 -28.604 -4.487 1.00 12.41 H new ATOM 0 HG2 PRO A 63 73.527 -26.724 -2.238 1.00 3.11 H new ATOM 0 HG3 PRO A 63 75.105 -27.272 -2.767 1.00 3.11 H new ATOM 0 HD2 PRO A 63 74.134 -24.828 -3.477 1.00 54.51 H new ATOM 0 HD3 PRO A 63 75.198 -25.732 -4.536 1.00 54.51 H new ATOM 891 N SER A 64 70.470 -28.403 -4.226 1.00 12.41 N ATOM 892 CA SER A 64 69.118 -28.496 -3.687 1.00 75.21 C ATOM 893 C SER A 64 69.111 -29.264 -2.369 1.00 74.34 C ATOM 894 O SER A 64 69.791 -30.281 -2.225 1.00 44.03 O ATOM 895 CB SER A 64 68.190 -29.180 -4.693 1.00 72.44 C ATOM 896 OG SER A 64 66.854 -28.736 -4.539 1.00 33.14 O ATOM 0 H SER A 64 70.857 -29.289 -4.549 1.00 12.41 H new ATOM 0 HA SER A 64 68.758 -27.484 -3.501 1.00 75.21 H new ATOM 0 HB2 SER A 64 68.531 -28.971 -5.707 1.00 72.44 H new ATOM 0 HB3 SER A 64 68.235 -30.261 -4.558 1.00 72.44 H new ATOM 0 HG SER A 64 66.282 -29.187 -5.195 1.00 33.14 H new ATOM 902 N LEU A 65 68.338 -28.771 -1.407 1.00 24.21 N ATOM 903 CA LEU A 65 68.241 -29.408 -0.100 1.00 74.21 C ATOM 904 C LEU A 65 66.820 -29.894 0.166 1.00 50.24 C ATOM 905 O LEU A 65 65.850 -29.182 -0.095 1.00 43.42 O ATOM 906 CB LEU A 65 68.673 -28.435 0.998 1.00 12.22 C ATOM 907 CG LEU A 65 68.428 -28.893 2.436 1.00 15.23 C ATOM 908 CD1 LEU A 65 66.961 -28.737 2.804 1.00 12.32 C ATOM 909 CD2 LEU A 65 68.874 -30.337 2.620 1.00 44.20 C ATOM 0 H LEU A 65 67.769 -27.931 -1.509 1.00 24.21 H new ATOM 0 HA LEU A 65 68.907 -30.271 -0.095 1.00 74.21 H new ATOM 0 HB2 LEU A 65 69.738 -28.233 0.879 1.00 12.22 H new ATOM 0 HB3 LEU A 65 68.151 -27.491 0.845 1.00 12.22 H new ATOM 0 HG LEU A 65 69.018 -28.263 3.102 1.00 15.23 H new ATOM 0 HD11 LEU A 65 66.806 -29.068 3.831 1.00 12.32 H new ATOM 0 HD12 LEU A 65 66.672 -27.690 2.713 1.00 12.32 H new ATOM 0 HD13 LEU A 65 66.351 -29.341 2.132 1.00 12.32 H new ATOM 0 HD21 LEU A 65 68.692 -30.646 3.649 1.00 44.20 H new ATOM 0 HD22 LEU A 65 68.312 -30.981 1.943 1.00 44.20 H new ATOM 0 HD23 LEU A 65 69.938 -30.420 2.399 1.00 44.20 H new ATOM 921 N PHE A 66 66.703 -31.111 0.686 1.00 73.21 N ATOM 922 CA PHE A 66 65.400 -31.692 0.988 1.00 61.42 C ATOM 923 C PHE A 66 65.263 -31.973 2.482 1.00 1.52 C ATOM 924 O PHE A 66 65.916 -32.866 3.021 1.00 61.22 O ATOM 925 CB PHE A 66 65.199 -32.985 0.195 1.00 53.24 C ATOM 926 CG PHE A 66 63.984 -33.762 0.615 1.00 74.24 C ATOM 927 CD1 PHE A 66 64.057 -34.679 1.652 1.00 13.35 C ATOM 928 CD2 PHE A 66 62.771 -33.580 -0.028 1.00 2.12 C ATOM 929 CE1 PHE A 66 62.941 -35.396 2.042 1.00 72.12 C ATOM 930 CE2 PHE A 66 61.652 -34.293 0.357 1.00 54.20 C ATOM 931 CZ PHE A 66 61.738 -35.204 1.392 1.00 31.11 C ATOM 0 H PHE A 66 67.495 -31.714 0.907 1.00 73.21 H new ATOM 0 HA PHE A 66 64.633 -30.973 0.699 1.00 61.42 H new ATOM 0 HB2 PHE A 66 65.118 -32.743 -0.865 1.00 53.24 H new ATOM 0 HB3 PHE A 66 66.081 -33.614 0.311 1.00 53.24 H new ATOM 0 HD1 PHE A 66 64.997 -34.835 2.161 1.00 13.35 H new ATOM 0 HD2 PHE A 66 62.699 -32.872 -0.840 1.00 2.12 H new ATOM 0 HE1 PHE A 66 63.010 -36.105 2.854 1.00 72.12 H new ATOM 0 HE2 PHE A 66 60.711 -34.138 -0.150 1.00 54.20 H new ATOM 0 HZ PHE A 66 60.866 -35.765 1.692 1.00 31.11 H new ATOM 941 N VAL A 67 64.407 -31.202 3.146 1.00 21.02 N ATOM 942 CA VAL A 67 64.182 -31.366 4.578 1.00 71.15 C ATOM 943 C VAL A 67 62.707 -31.203 4.924 1.00 22.05 C ATOM 944 O VAL A 67 61.911 -30.754 4.099 1.00 5.44 O ATOM 945 CB VAL A 67 65.006 -30.354 5.395 1.00 40.31 C ATOM 946 CG1 VAL A 67 66.494 -30.641 5.258 1.00 3.41 C ATOM 947 CG2 VAL A 67 64.686 -28.932 4.959 1.00 11.24 C ATOM 0 H VAL A 67 63.858 -30.458 2.715 1.00 21.02 H new ATOM 0 HA VAL A 67 64.503 -32.375 4.836 1.00 71.15 H new ATOM 0 HB VAL A 67 64.737 -30.457 6.446 1.00 40.31 H new ATOM 0 HG11 VAL A 67 67.060 -29.915 5.842 1.00 3.41 H new ATOM 0 HG12 VAL A 67 66.706 -31.646 5.624 1.00 3.41 H new ATOM 0 HG13 VAL A 67 66.784 -30.568 4.210 1.00 3.41 H new ATOM 0 HG21 VAL A 67 65.277 -28.230 5.547 1.00 11.24 H new ATOM 0 HG22 VAL A 67 64.926 -28.813 3.902 1.00 11.24 H new ATOM 0 HG23 VAL A 67 63.626 -28.733 5.115 1.00 11.24 H new ATOM 957 N ARG A 68 62.348 -31.570 6.150 1.00 11.14 N ATOM 958 CA ARG A 68 60.967 -31.464 6.606 1.00 73.23 C ATOM 959 C ARG A 68 60.787 -30.253 7.517 1.00 53.30 C ATOM 960 O ARG A 68 61.691 -29.885 8.267 1.00 34.42 O ATOM 961 CB ARG A 68 60.554 -32.738 7.345 1.00 12.14 C ATOM 962 CG ARG A 68 60.552 -32.590 8.859 1.00 42.11 C ATOM 963 CD ARG A 68 60.065 -33.859 9.541 1.00 11.33 C ATOM 964 NE ARG A 68 58.607 -33.949 9.554 1.00 64.24 N ATOM 965 CZ ARG A 68 57.942 -35.075 9.791 1.00 2.43 C ATOM 966 NH1 ARG A 68 58.601 -36.198 10.035 1.00 12.51 N ATOM 967 NH2 ARG A 68 56.615 -35.077 9.784 1.00 25.22 N ATOM 0 H ARG A 68 62.994 -31.943 6.845 1.00 11.14 H new ATOM 0 HA ARG A 68 60.330 -31.336 5.731 1.00 73.23 H new ATOM 0 HB2 ARG A 68 59.557 -33.032 7.016 1.00 12.14 H new ATOM 0 HB3 ARG A 68 61.232 -33.545 7.068 1.00 12.14 H new ATOM 0 HG2 ARG A 68 61.558 -32.353 9.204 1.00 42.11 H new ATOM 0 HG3 ARG A 68 59.913 -31.754 9.143 1.00 42.11 H new ATOM 0 HD2 ARG A 68 60.477 -34.728 9.027 1.00 11.33 H new ATOM 0 HD3 ARG A 68 60.439 -33.887 10.564 1.00 11.33 H new ATOM 0 HE ARG A 68 58.070 -33.101 9.371 1.00 64.24 H new ATOM 0 HH11 ARG A 68 59.621 -36.200 10.041 1.00 12.51 H new ATOM 0 HH12 ARG A 68 58.088 -37.061 10.217 1.00 12.51 H new ATOM 0 HH21 ARG A 68 56.105 -34.214 9.597 1.00 25.22 H new ATOM 0 HH22 ARG A 68 56.105 -35.942 9.966 1.00 25.22 H new ATOM 981 N THR A 69 59.612 -29.635 7.445 1.00 73.40 N ATOM 982 CA THR A 69 59.313 -28.465 8.260 1.00 34.12 C ATOM 983 C THR A 69 59.915 -28.598 9.655 1.00 42.52 C ATOM 984 O THR A 69 60.749 -27.789 10.061 1.00 11.04 O ATOM 985 CB THR A 69 57.794 -28.243 8.388 1.00 33.15 C ATOM 986 OG1 THR A 69 57.484 -27.705 9.679 1.00 73.31 O ATOM 987 CG2 THR A 69 57.037 -29.547 8.182 1.00 1.02 C ATOM 0 H THR A 69 58.852 -29.926 6.830 1.00 73.40 H new ATOM 0 HA THR A 69 59.757 -27.607 7.756 1.00 34.12 H new ATOM 0 HB THR A 69 57.487 -27.537 7.617 1.00 33.15 H new ATOM 0 HG1 THR A 69 56.517 -27.565 9.752 1.00 73.31 H new ATOM 0 HG21 THR A 69 55.966 -29.365 8.277 1.00 1.02 H new ATOM 0 HG22 THR A 69 57.252 -29.939 7.188 1.00 1.02 H new ATOM 0 HG23 THR A 69 57.350 -30.272 8.933 1.00 1.02 H new ATOM 995 N ASP A 70 59.487 -29.623 10.383 1.00 10.01 N ATOM 996 CA ASP A 70 59.986 -29.863 11.732 1.00 13.20 C ATOM 997 C ASP A 70 61.506 -29.743 11.779 1.00 12.34 C ATOM 998 O ASP A 70 62.062 -29.136 12.694 1.00 31.02 O ATOM 999 CB ASP A 70 59.556 -31.248 12.220 1.00 61.32 C ATOM 1000 CG ASP A 70 58.049 -31.400 12.275 1.00 70.10 C ATOM 1001 OD1 ASP A 70 57.421 -31.486 11.199 1.00 32.12 O ATOM 1002 OD2 ASP A 70 57.497 -31.432 13.395 1.00 3.54 O ATOM 0 H ASP A 70 58.796 -30.301 10.062 1.00 10.01 H new ATOM 0 HA ASP A 70 59.559 -29.106 12.390 1.00 13.20 H new ATOM 0 HB2 ASP A 70 59.971 -32.008 11.558 1.00 61.32 H new ATOM 0 HB3 ASP A 70 59.973 -31.426 13.211 1.00 61.32 H new ATOM 1007 N GLU A 71 62.172 -30.327 10.787 1.00 34.04 N ATOM 1008 CA GLU A 71 63.628 -30.287 10.718 1.00 11.24 C ATOM 1009 C GLU A 71 64.129 -28.848 10.646 1.00 43.11 C ATOM 1010 O GLU A 71 65.101 -28.483 11.307 1.00 61.11 O ATOM 1011 CB GLU A 71 64.124 -31.073 9.503 1.00 72.50 C ATOM 1012 CG GLU A 71 65.595 -31.450 9.581 1.00 5.34 C ATOM 1013 CD GLU A 71 65.955 -32.128 10.888 1.00 64.01 C ATOM 1014 OE1 GLU A 71 65.546 -33.292 11.084 1.00 43.35 O ATOM 1015 OE2 GLU A 71 66.645 -31.496 11.715 1.00 52.51 O ATOM 0 H GLU A 71 61.727 -30.833 10.021 1.00 34.04 H new ATOM 0 HA GLU A 71 64.023 -30.746 11.624 1.00 11.24 H new ATOM 0 HB2 GLU A 71 63.530 -31.981 9.401 1.00 72.50 H new ATOM 0 HB3 GLU A 71 63.957 -30.480 8.604 1.00 72.50 H new ATOM 0 HG2 GLU A 71 65.840 -32.114 8.752 1.00 5.34 H new ATOM 0 HG3 GLU A 71 66.203 -30.553 9.462 1.00 5.34 H new ATOM 1022 N VAL A 72 63.458 -28.033 9.837 1.00 34.00 N ATOM 1023 CA VAL A 72 63.834 -26.634 9.677 1.00 33.13 C ATOM 1024 C VAL A 72 63.164 -25.761 10.733 1.00 35.20 C ATOM 1025 O VAL A 72 63.412 -24.557 10.807 1.00 73.11 O ATOM 1026 CB VAL A 72 63.460 -26.108 8.280 1.00 45.52 C ATOM 1027 CG1 VAL A 72 61.949 -26.114 8.093 1.00 65.50 C ATOM 1028 CG2 VAL A 72 64.025 -24.712 8.066 1.00 21.14 C ATOM 0 H VAL A 72 62.651 -28.319 9.282 1.00 34.00 H new ATOM 0 HA VAL A 72 64.916 -26.581 9.799 1.00 33.13 H new ATOM 0 HB VAL A 72 63.898 -26.771 7.534 1.00 45.52 H new ATOM 0 HG11 VAL A 72 61.704 -25.739 7.099 1.00 65.50 H new ATOM 0 HG12 VAL A 72 61.573 -27.132 8.200 1.00 65.50 H new ATOM 0 HG13 VAL A 72 61.487 -25.476 8.846 1.00 65.50 H new ATOM 0 HG21 VAL A 72 63.750 -24.357 7.073 1.00 21.14 H new ATOM 0 HG22 VAL A 72 63.619 -24.036 8.818 1.00 21.14 H new ATOM 0 HG23 VAL A 72 65.111 -24.742 8.153 1.00 21.14 H new ATOM 1038 N ARG A 73 62.313 -26.376 11.548 1.00 22.11 N ATOM 1039 CA ARG A 73 61.606 -25.655 12.600 1.00 22.03 C ATOM 1040 C ARG A 73 62.458 -25.561 13.862 1.00 70.22 C ATOM 1041 O ARG A 73 62.509 -24.517 14.512 1.00 70.12 O ATOM 1042 CB ARG A 73 60.279 -26.346 12.918 1.00 0.01 C ATOM 1043 CG ARG A 73 59.401 -25.565 13.882 1.00 13.15 C ATOM 1044 CD ARG A 73 58.194 -26.379 14.321 1.00 62.54 C ATOM 1045 NE ARG A 73 57.176 -25.548 14.959 1.00 60.12 N ATOM 1046 CZ ARG A 73 55.982 -26.001 15.325 1.00 30.51 C ATOM 1047 NH1 ARG A 73 55.659 -27.269 15.119 1.00 42.45 N ATOM 1048 NH2 ARG A 73 55.109 -25.183 15.900 1.00 25.40 N ATOM 0 H ARG A 73 62.096 -27.372 11.500 1.00 22.11 H new ATOM 0 HA ARG A 73 61.405 -24.645 12.242 1.00 22.03 H new ATOM 0 HB2 ARG A 73 59.731 -26.506 11.989 1.00 0.01 H new ATOM 0 HB3 ARG A 73 60.484 -27.329 13.341 1.00 0.01 H new ATOM 0 HG2 ARG A 73 59.985 -25.278 14.756 1.00 13.15 H new ATOM 0 HG3 ARG A 73 59.066 -24.644 13.406 1.00 13.15 H new ATOM 0 HD2 ARG A 73 57.762 -26.882 13.456 1.00 62.54 H new ATOM 0 HD3 ARG A 73 58.514 -27.157 15.014 1.00 62.54 H new ATOM 0 HE ARG A 73 57.394 -24.567 15.133 1.00 60.12 H new ATOM 0 HH11 ARG A 73 56.328 -27.901 14.678 1.00 42.45 H new ATOM 0 HH12 ARG A 73 54.741 -27.614 15.401 1.00 42.45 H new ATOM 0 HH21 ARG A 73 55.355 -24.206 16.061 1.00 25.40 H new ATOM 0 HH22 ARG A 73 54.192 -25.531 16.181 1.00 25.40 H new ATOM 1062 N GLN A 74 63.124 -26.659 14.203 1.00 71.55 N ATOM 1063 CA GLN A 74 63.973 -26.701 15.388 1.00 23.23 C ATOM 1064 C GLN A 74 64.984 -25.559 15.374 1.00 43.11 C ATOM 1065 O GLN A 74 65.463 -25.126 16.423 1.00 12.50 O ATOM 1066 CB GLN A 74 64.703 -28.043 15.472 1.00 23.33 C ATOM 1067 CG GLN A 74 63.802 -29.202 15.865 1.00 34.53 C ATOM 1068 CD GLN A 74 64.523 -30.535 15.844 1.00 2.21 C ATOM 1069 OE1 GLN A 74 65.603 -30.680 16.418 1.00 62.24 O ATOM 1070 NE2 GLN A 74 63.929 -31.519 15.179 1.00 52.42 N ATOM 0 H GLN A 74 63.092 -27.532 13.676 1.00 71.55 H new ATOM 0 HA GLN A 74 63.335 -26.587 16.265 1.00 23.23 H new ATOM 0 HB2 GLN A 74 65.160 -28.260 14.506 1.00 23.33 H new ATOM 0 HB3 GLN A 74 65.513 -27.962 16.197 1.00 23.33 H new ATOM 0 HG2 GLN A 74 63.403 -29.025 16.864 1.00 34.53 H new ATOM 0 HG3 GLN A 74 62.951 -29.243 15.185 1.00 34.53 H new ATOM 0 HE21 GLN A 74 63.034 -31.355 14.718 1.00 52.42 H new ATOM 0 HE22 GLN A 74 64.368 -32.439 15.130 1.00 52.42 H new ATOM 1079 N LEU A 75 65.305 -25.074 14.179 1.00 54.11 N ATOM 1080 CA LEU A 75 66.259 -23.981 14.028 1.00 72.53 C ATOM 1081 C LEU A 75 65.551 -22.690 13.633 1.00 14.24 C ATOM 1082 O LEU A 75 64.324 -22.609 13.666 1.00 54.42 O ATOM 1083 CB LEU A 75 67.313 -24.340 12.978 1.00 11.23 C ATOM 1084 CG LEU A 75 68.038 -25.671 13.182 1.00 30.43 C ATOM 1085 CD1 LEU A 75 67.312 -26.791 12.454 1.00 23.23 C ATOM 1086 CD2 LEU A 75 69.480 -25.570 12.708 1.00 51.03 C ATOM 0 H LEU A 75 64.919 -25.421 13.301 1.00 54.11 H new ATOM 0 HA LEU A 75 66.750 -23.825 14.989 1.00 72.53 H new ATOM 0 HB2 LEU A 75 66.831 -24.358 12.000 1.00 11.23 H new ATOM 0 HB3 LEU A 75 68.057 -23.544 12.952 1.00 11.23 H new ATOM 0 HG LEU A 75 68.042 -25.902 14.247 1.00 30.43 H new ATOM 0 HD11 LEU A 75 67.842 -27.730 12.610 1.00 23.23 H new ATOM 0 HD12 LEU A 75 66.297 -26.879 12.841 1.00 23.23 H new ATOM 0 HD13 LEU A 75 67.276 -26.568 11.388 1.00 23.23 H new ATOM 0 HD21 LEU A 75 69.981 -26.526 12.861 1.00 51.03 H new ATOM 0 HD22 LEU A 75 69.498 -25.316 11.648 1.00 51.03 H new ATOM 0 HD23 LEU A 75 69.996 -24.795 13.275 1.00 51.03 H new ATOM 1098 N ARG A 76 66.333 -21.682 13.260 1.00 31.23 N ATOM 1099 CA ARG A 76 65.780 -20.394 12.858 1.00 34.11 C ATOM 1100 C ARG A 76 66.106 -20.095 11.398 1.00 64.13 C ATOM 1101 O ARG A 76 67.230 -20.316 10.944 1.00 12.12 O ATOM 1102 CB ARG A 76 66.325 -19.280 13.753 1.00 23.20 C ATOM 1103 CG ARG A 76 66.012 -17.882 13.244 1.00 72.14 C ATOM 1104 CD ARG A 76 65.730 -16.923 14.390 1.00 43.42 C ATOM 1105 NE ARG A 76 66.956 -16.358 14.946 1.00 54.44 N ATOM 1106 CZ ARG A 76 66.997 -15.661 16.075 1.00 24.14 C ATOM 1107 NH1 ARG A 76 65.886 -15.442 16.765 1.00 41.14 N ATOM 1108 NH2 ARG A 76 68.152 -15.180 16.518 1.00 23.32 N ATOM 0 H ARG A 76 67.351 -21.732 13.228 1.00 31.23 H new ATOM 0 HA ARG A 76 64.697 -20.441 12.968 1.00 34.11 H new ATOM 0 HB2 ARG A 76 65.910 -19.394 14.754 1.00 23.20 H new ATOM 0 HB3 ARG A 76 67.406 -19.392 13.841 1.00 23.20 H new ATOM 0 HG2 ARG A 76 66.851 -17.511 12.656 1.00 72.14 H new ATOM 0 HG3 ARG A 76 65.149 -17.920 12.579 1.00 72.14 H new ATOM 0 HD2 ARG A 76 65.087 -16.117 14.038 1.00 43.42 H new ATOM 0 HD3 ARG A 76 65.184 -17.447 15.175 1.00 43.42 H new ATOM 0 HE ARG A 76 67.829 -16.507 14.439 1.00 54.44 H new ATOM 0 HH11 ARG A 76 64.996 -15.810 16.429 1.00 41.14 H new ATOM 0 HH12 ARG A 76 65.921 -14.906 17.632 1.00 41.14 H new ATOM 0 HH21 ARG A 76 69.009 -15.346 15.991 1.00 23.32 H new ATOM 0 HH22 ARG A 76 68.182 -14.645 17.386 1.00 23.32 H new ATOM 1122 N ARG A 77 65.117 -19.591 10.667 1.00 72.15 N ATOM 1123 CA ARG A 77 65.298 -19.264 9.259 1.00 44.32 C ATOM 1124 C ARG A 77 66.583 -18.469 9.046 1.00 42.31 C ATOM 1125 O ARG A 77 66.634 -17.269 9.312 1.00 61.35 O ATOM 1126 CB ARG A 77 64.100 -18.464 8.740 1.00 33.04 C ATOM 1127 CG ARG A 77 62.951 -19.334 8.259 1.00 3.41 C ATOM 1128 CD ARG A 77 61.650 -18.976 8.961 1.00 33.22 C ATOM 1129 NE ARG A 77 60.502 -19.059 8.062 1.00 32.03 N ATOM 1130 CZ ARG A 77 59.246 -18.879 8.456 1.00 2.53 C ATOM 1131 NH1 ARG A 77 58.978 -18.607 9.726 1.00 63.01 N ATOM 1132 NH2 ARG A 77 58.254 -18.971 7.579 1.00 20.30 N ATOM 0 H ARG A 77 64.182 -19.400 11.027 1.00 72.15 H new ATOM 0 HA ARG A 77 65.372 -20.198 8.702 1.00 44.32 H new ATOM 0 HB2 ARG A 77 63.741 -17.808 9.533 1.00 33.04 H new ATOM 0 HB3 ARG A 77 64.428 -17.824 7.921 1.00 33.04 H new ATOM 0 HG2 ARG A 77 62.829 -19.216 7.182 1.00 3.41 H new ATOM 0 HG3 ARG A 77 63.187 -20.383 8.440 1.00 3.41 H new ATOM 0 HD2 ARG A 77 61.498 -19.647 9.806 1.00 33.22 H new ATOM 0 HD3 ARG A 77 61.722 -17.966 9.365 1.00 33.22 H new ATOM 0 HE ARG A 77 60.674 -19.266 7.078 1.00 32.03 H new ATOM 0 HH11 ARG A 77 59.737 -18.535 10.403 1.00 63.01 H new ATOM 0 HH12 ARG A 77 58.013 -18.469 10.025 1.00 63.01 H new ATOM 0 HH21 ARG A 77 58.455 -19.180 6.601 1.00 20.30 H new ATOM 0 HH22 ARG A 77 57.290 -18.833 7.883 1.00 20.30 H new ATOM 1146 N GLY A 78 67.620 -19.149 8.565 1.00 22.32 N ATOM 1147 CA GLY A 78 68.892 -18.490 8.325 1.00 14.34 C ATOM 1148 C GLY A 78 70.064 -19.279 8.872 1.00 74.33 C ATOM 1149 O GLY A 78 71.110 -18.713 9.187 1.00 25.24 O ATOM 0 H GLY A 78 67.602 -20.143 8.337 1.00 22.32 H new ATOM 0 HA2 GLY A 78 69.025 -18.343 7.253 1.00 14.34 H new ATOM 0 HA3 GLY A 78 68.878 -17.501 8.783 1.00 14.34 H new ATOM 1153 N ASP A 79 69.892 -20.591 8.986 1.00 55.42 N ATOM 1154 CA ASP A 79 70.944 -21.460 9.498 1.00 54.14 C ATOM 1155 C ASP A 79 71.441 -22.411 8.413 1.00 12.35 C ATOM 1156 O ASP A 79 70.675 -23.210 7.874 1.00 42.24 O ATOM 1157 CB ASP A 79 70.435 -22.260 10.700 1.00 25.53 C ATOM 1158 CG ASP A 79 69.317 -23.213 10.329 1.00 23.21 C ATOM 1159 OD1 ASP A 79 68.148 -22.776 10.308 1.00 3.33 O ATOM 1160 OD2 ASP A 79 69.610 -24.397 10.061 1.00 30.30 O ATOM 0 H ASP A 79 69.032 -21.077 8.730 1.00 55.42 H new ATOM 0 HA ASP A 79 71.777 -20.832 9.815 1.00 54.14 H new ATOM 0 HB2 ASP A 79 71.261 -22.824 11.133 1.00 25.53 H new ATOM 0 HB3 ASP A 79 70.082 -21.572 11.468 1.00 25.53 H new ATOM 1165 N THR A 80 72.729 -22.319 8.097 1.00 4.32 N ATOM 1166 CA THR A 80 73.328 -23.167 7.075 1.00 71.22 C ATOM 1167 C THR A 80 73.713 -24.527 7.646 1.00 32.04 C ATOM 1168 O THR A 80 74.476 -24.614 8.609 1.00 1.13 O ATOM 1169 CB THR A 80 74.577 -22.510 6.460 1.00 5.13 C ATOM 1170 OG1 THR A 80 75.682 -22.613 7.366 1.00 44.23 O ATOM 1171 CG2 THR A 80 74.315 -21.046 6.137 1.00 21.11 C ATOM 0 H THR A 80 73.378 -21.665 8.535 1.00 4.32 H new ATOM 0 HA THR A 80 72.577 -23.301 6.297 1.00 71.22 H new ATOM 0 HB THR A 80 74.817 -23.033 5.534 1.00 5.13 H new ATOM 0 HG1 THR A 80 76.503 -22.326 6.914 1.00 44.23 H new ATOM 0 HG21 THR A 80 75.212 -20.603 5.704 1.00 21.11 H new ATOM 0 HG22 THR A 80 73.493 -20.972 5.425 1.00 21.11 H new ATOM 0 HG23 THR A 80 74.052 -20.513 7.051 1.00 21.11 H new ATOM 1179 N LEU A 81 73.181 -25.587 7.048 1.00 44.41 N ATOM 1180 CA LEU A 81 73.470 -26.945 7.497 1.00 0.55 C ATOM 1181 C LEU A 81 74.622 -27.548 6.701 1.00 61.22 C ATOM 1182 O LEU A 81 74.579 -27.607 5.471 1.00 55.00 O ATOM 1183 CB LEU A 81 72.225 -27.824 7.361 1.00 24.13 C ATOM 1184 CG LEU A 81 71.396 -27.621 6.092 1.00 12.11 C ATOM 1185 CD1 LEU A 81 70.856 -28.951 5.589 1.00 0.34 C ATOM 1186 CD2 LEU A 81 70.259 -26.644 6.349 1.00 4.24 C ATOM 0 H LEU A 81 72.547 -25.533 6.251 1.00 44.41 H new ATOM 0 HA LEU A 81 73.762 -26.900 8.546 1.00 0.55 H new ATOM 0 HB2 LEU A 81 72.535 -28.868 7.405 1.00 24.13 H new ATOM 0 HB3 LEU A 81 71.583 -27.645 8.223 1.00 24.13 H new ATOM 0 HG LEU A 81 72.042 -27.200 5.322 1.00 12.11 H new ATOM 0 HD11 LEU A 81 70.269 -28.787 4.686 1.00 0.34 H new ATOM 0 HD12 LEU A 81 71.687 -29.620 5.365 1.00 0.34 H new ATOM 0 HD13 LEU A 81 70.225 -29.401 6.355 1.00 0.34 H new ATOM 0 HD21 LEU A 81 69.680 -26.511 5.435 1.00 4.24 H new ATOM 0 HD22 LEU A 81 69.613 -27.036 7.135 1.00 4.24 H new ATOM 0 HD23 LEU A 81 70.668 -25.683 6.662 1.00 4.24 H new ATOM 1198 N THR A 82 75.653 -27.997 7.409 1.00 33.22 N ATOM 1199 CA THR A 82 76.817 -28.597 6.770 1.00 73.51 C ATOM 1200 C THR A 82 76.658 -30.108 6.644 1.00 43.11 C ATOM 1201 O THR A 82 76.795 -30.840 7.624 1.00 73.53 O ATOM 1202 CB THR A 82 78.108 -28.293 7.554 1.00 64.01 C ATOM 1203 OG1 THR A 82 79.206 -29.020 6.991 1.00 74.44 O ATOM 1204 CG2 THR A 82 77.950 -28.660 9.022 1.00 4.00 C ATOM 0 H THR A 82 75.705 -27.956 8.427 1.00 33.22 H new ATOM 0 HA THR A 82 76.892 -28.158 5.775 1.00 73.51 H new ATOM 0 HB THR A 82 78.306 -27.223 7.483 1.00 64.01 H new ATOM 0 HG1 THR A 82 80.023 -28.820 7.494 1.00 74.44 H new ATOM 0 HG21 THR A 82 78.874 -28.436 9.555 1.00 4.00 H new ATOM 0 HG22 THR A 82 77.133 -28.083 9.455 1.00 4.00 H new ATOM 0 HG23 THR A 82 77.729 -29.724 9.109 1.00 4.00 H new ATOM 1212 N ILE A 83 76.367 -30.568 5.431 1.00 35.00 N ATOM 1213 CA ILE A 83 76.190 -31.993 5.178 1.00 43.11 C ATOM 1214 C ILE A 83 76.792 -32.390 3.834 1.00 50.10 C ATOM 1215 O ILE A 83 76.475 -31.803 2.801 1.00 32.33 O ATOM 1216 CB ILE A 83 74.701 -32.387 5.198 1.00 72.25 C ATOM 1217 CG1 ILE A 83 74.323 -33.097 3.896 1.00 45.42 C ATOM 1218 CG2 ILE A 83 73.830 -31.159 5.411 1.00 61.24 C ATOM 1219 CD1 ILE A 83 73.877 -32.152 2.800 1.00 33.51 C ATOM 0 H ILE A 83 76.249 -29.975 4.609 1.00 35.00 H new ATOM 0 HA ILE A 83 76.708 -32.523 5.977 1.00 43.11 H new ATOM 0 HB ILE A 83 74.533 -33.074 6.027 1.00 72.25 H new ATOM 0 HG12 ILE A 83 75.179 -33.672 3.543 1.00 45.42 H new ATOM 0 HG13 ILE A 83 73.523 -33.809 4.099 1.00 45.42 H new ATOM 0 HG21 ILE A 83 72.781 -31.455 5.423 1.00 61.24 H new ATOM 0 HG22 ILE A 83 74.086 -30.692 6.362 1.00 61.24 H new ATOM 0 HG23 ILE A 83 73.998 -30.449 4.601 1.00 61.24 H new ATOM 0 HD11 ILE A 83 73.625 -32.724 1.907 1.00 33.51 H new ATOM 0 HD12 ILE A 83 73.001 -31.595 3.134 1.00 33.51 H new ATOM 0 HD13 ILE A 83 74.683 -31.456 2.569 1.00 33.51 H new ATOM 1231 N GLY A 84 77.663 -33.395 3.857 1.00 61.53 N ATOM 1232 CA GLY A 84 78.295 -33.856 2.634 1.00 62.45 C ATOM 1233 C GLY A 84 79.364 -32.903 2.139 1.00 65.00 C ATOM 1234 O GLY A 84 80.499 -33.308 1.890 1.00 62.05 O ATOM 0 H GLY A 84 77.942 -33.898 4.700 1.00 61.53 H new ATOM 0 HA2 GLY A 84 78.738 -34.837 2.805 1.00 62.45 H new ATOM 0 HA3 GLY A 84 77.537 -33.979 1.861 1.00 62.45 H new ATOM 1238 N GLU A 85 79.002 -31.632 1.995 1.00 2.15 N ATOM 1239 CA GLU A 85 79.939 -30.619 1.524 1.00 24.43 C ATOM 1240 C GLU A 85 80.252 -29.612 2.627 1.00 74.13 C ATOM 1241 O GLU A 85 81.266 -29.725 3.314 1.00 35.40 O ATOM 1242 CB GLU A 85 79.370 -29.894 0.303 1.00 1.33 C ATOM 1243 CG GLU A 85 80.309 -28.851 -0.279 1.00 53.12 C ATOM 1244 CD GLU A 85 81.665 -29.426 -0.643 1.00 0.51 C ATOM 1245 OE1 GLU A 85 82.489 -29.626 0.273 1.00 12.14 O ATOM 1246 OE2 GLU A 85 81.900 -29.676 -1.843 1.00 73.43 O ATOM 0 H GLU A 85 78.067 -31.279 2.198 1.00 2.15 H new ATOM 0 HA GLU A 85 80.864 -31.121 1.241 1.00 24.43 H new ATOM 0 HB2 GLU A 85 79.134 -30.628 -0.467 1.00 1.33 H new ATOM 0 HB3 GLU A 85 78.433 -29.412 0.582 1.00 1.33 H new ATOM 0 HG2 GLU A 85 79.854 -28.413 -1.167 1.00 53.12 H new ATOM 0 HG3 GLU A 85 80.442 -28.044 0.442 1.00 53.12 H new ATOM 1253 N GLU A 86 79.374 -28.627 2.788 1.00 74.14 N ATOM 1254 CA GLU A 86 79.558 -27.600 3.806 1.00 2.43 C ATOM 1255 C GLU A 86 78.214 -27.038 4.261 1.00 55.31 C ATOM 1256 O GLU A 86 77.205 -27.177 3.570 1.00 14.34 O ATOM 1257 CB GLU A 86 80.439 -26.471 3.270 1.00 62.12 C ATOM 1258 CG GLU A 86 81.801 -26.939 2.785 1.00 34.51 C ATOM 1259 CD GLU A 86 82.670 -25.798 2.294 1.00 44.32 C ATOM 1260 OE1 GLU A 86 82.116 -24.726 1.970 1.00 52.15 O ATOM 1261 OE2 GLU A 86 83.904 -25.977 2.232 1.00 23.24 O ATOM 0 H GLU A 86 78.529 -28.519 2.227 1.00 74.14 H new ATOM 0 HA GLU A 86 80.050 -28.059 4.663 1.00 2.43 H new ATOM 0 HB2 GLU A 86 79.921 -25.976 2.449 1.00 62.12 H new ATOM 0 HB3 GLU A 86 80.578 -25.727 4.054 1.00 62.12 H new ATOM 0 HG2 GLU A 86 82.313 -27.457 3.596 1.00 34.51 H new ATOM 0 HG3 GLU A 86 81.667 -27.661 1.980 1.00 34.51 H new ATOM 1268 N ASN A 87 78.209 -26.404 5.429 1.00 31.11 N ATOM 1269 CA ASN A 87 76.989 -25.822 5.977 1.00 31.14 C ATOM 1270 C ASN A 87 76.303 -24.927 4.950 1.00 53.21 C ATOM 1271 O ASN A 87 76.891 -23.964 4.459 1.00 63.32 O ATOM 1272 CB ASN A 87 77.306 -25.018 7.240 1.00 24.22 C ATOM 1273 CG ASN A 87 78.354 -23.949 6.996 1.00 24.53 C ATOM 1274 OD1 ASN A 87 78.048 -22.866 6.498 1.00 23.44 O ATOM 1275 ND2 ASN A 87 79.599 -24.251 7.347 1.00 64.33 N ATOM 0 H ASN A 87 79.035 -26.280 6.014 1.00 31.11 H new ATOM 0 HA ASN A 87 76.311 -26.636 6.233 1.00 31.14 H new ATOM 0 HB2 ASN A 87 76.393 -24.551 7.609 1.00 24.22 H new ATOM 0 HB3 ASN A 87 77.655 -25.694 8.020 1.00 24.22 H new ATOM 0 HD21 ASN A 87 80.347 -23.572 7.207 1.00 64.33 H new ATOM 0 HD22 ASN A 87 79.807 -25.162 7.757 1.00 64.33 H new ATOM 1282 N PHE A 88 75.055 -25.252 4.630 1.00 71.45 N ATOM 1283 CA PHE A 88 74.288 -24.479 3.661 1.00 44.23 C ATOM 1284 C PHE A 88 72.897 -24.160 4.197 1.00 14.14 C ATOM 1285 O PHE A 88 72.125 -25.060 4.526 1.00 53.42 O ATOM 1286 CB PHE A 88 74.173 -25.245 2.340 1.00 72.41 C ATOM 1287 CG PHE A 88 75.499 -25.688 1.788 1.00 4.42 C ATOM 1288 CD1 PHE A 88 76.601 -24.851 1.842 1.00 11.35 C ATOM 1289 CD2 PHE A 88 75.641 -26.940 1.212 1.00 34.02 C ATOM 1290 CE1 PHE A 88 77.821 -25.254 1.334 1.00 41.14 C ATOM 1291 CE2 PHE A 88 76.858 -27.350 0.703 1.00 61.54 C ATOM 1292 CZ PHE A 88 77.950 -26.506 0.764 1.00 74.14 C ATOM 0 H PHE A 88 74.553 -26.046 5.028 1.00 71.45 H new ATOM 0 HA PHE A 88 74.815 -23.541 3.485 1.00 44.23 H new ATOM 0 HB2 PHE A 88 73.540 -26.120 2.490 1.00 72.41 H new ATOM 0 HB3 PHE A 88 73.675 -24.613 1.605 1.00 72.41 H new ATOM 0 HD1 PHE A 88 76.506 -23.871 2.287 1.00 11.35 H new ATOM 0 HD2 PHE A 88 74.790 -27.603 1.160 1.00 34.02 H new ATOM 0 HE1 PHE A 88 78.672 -24.591 1.382 1.00 41.14 H new ATOM 0 HE2 PHE A 88 76.956 -28.329 0.258 1.00 61.54 H new ATOM 0 HZ PHE A 88 78.903 -26.824 0.367 1.00 74.14 H new ATOM 1302 N TRP A 89 72.585 -22.872 4.285 1.00 4.51 N ATOM 1303 CA TRP A 89 71.285 -22.433 4.784 1.00 24.32 C ATOM 1304 C TRP A 89 70.228 -22.508 3.688 1.00 70.05 C ATOM 1305 O TRP A 89 70.435 -22.020 2.577 1.00 43.11 O ATOM 1306 CB TRP A 89 71.380 -21.003 5.320 1.00 15.31 C ATOM 1307 CG TRP A 89 70.130 -20.205 5.106 1.00 24.12 C ATOM 1308 CD1 TRP A 89 70.006 -19.058 4.375 1.00 1.34 C ATOM 1309 CD2 TRP A 89 68.829 -20.493 5.628 1.00 13.23 C ATOM 1310 NE1 TRP A 89 68.706 -18.615 4.412 1.00 12.41 N ATOM 1311 CE2 TRP A 89 67.964 -19.478 5.173 1.00 15.23 C ATOM 1312 CE3 TRP A 89 68.309 -21.510 6.434 1.00 21.40 C ATOM 1313 CZ2 TRP A 89 66.610 -19.453 5.499 1.00 70.12 C ATOM 1314 CZ3 TRP A 89 66.966 -21.483 6.757 1.00 51.33 C ATOM 1315 CH2 TRP A 89 66.128 -20.461 6.290 1.00 65.24 C ATOM 0 H TRP A 89 73.213 -22.114 4.018 1.00 4.51 H new ATOM 0 HA TRP A 89 70.990 -23.100 5.594 1.00 24.32 H new ATOM 0 HB2 TRP A 89 71.603 -21.036 6.386 1.00 15.31 H new ATOM 0 HB3 TRP A 89 72.214 -20.495 4.835 1.00 15.31 H new ATOM 0 HD1 TRP A 89 70.812 -18.571 3.846 1.00 1.34 H new ATOM 0 HE1 TRP A 89 68.351 -17.779 3.948 1.00 12.41 H new ATOM 0 HE3 TRP A 89 68.946 -22.303 6.798 1.00 21.40 H new ATOM 0 HZ2 TRP A 89 65.963 -18.666 5.140 1.00 70.12 H new ATOM 0 HZ3 TRP A 89 66.555 -22.263 7.380 1.00 51.33 H new ATOM 0 HH2 TRP A 89 65.082 -20.469 6.559 1.00 65.24 H new ATOM 1326 N VAL A 90 69.094 -23.124 4.007 1.00 34.43 N ATOM 1327 CA VAL A 90 68.003 -23.262 3.051 1.00 64.32 C ATOM 1328 C VAL A 90 67.173 -21.986 2.975 1.00 2.25 C ATOM 1329 O VAL A 90 66.518 -21.601 3.945 1.00 63.40 O ATOM 1330 CB VAL A 90 67.081 -24.440 3.417 1.00 72.21 C ATOM 1331 CG1 VAL A 90 66.568 -24.294 4.841 1.00 32.13 C ATOM 1332 CG2 VAL A 90 65.926 -24.538 2.433 1.00 53.34 C ATOM 0 H VAL A 90 68.907 -23.536 4.921 1.00 34.43 H new ATOM 0 HA VAL A 90 68.457 -23.454 2.079 1.00 64.32 H new ATOM 0 HB VAL A 90 67.658 -25.363 3.357 1.00 72.21 H new ATOM 0 HG11 VAL A 90 65.918 -25.135 5.082 1.00 32.13 H new ATOM 0 HG12 VAL A 90 67.411 -24.277 5.532 1.00 32.13 H new ATOM 0 HG13 VAL A 90 66.006 -23.364 4.932 1.00 32.13 H new ATOM 0 HG21 VAL A 90 65.285 -25.376 2.707 1.00 53.34 H new ATOM 0 HG22 VAL A 90 65.347 -23.615 2.458 1.00 53.34 H new ATOM 0 HG23 VAL A 90 66.317 -24.694 1.428 1.00 53.34 H new ATOM 1342 N ASP A 91 67.204 -21.334 1.818 1.00 30.13 N ATOM 1343 CA ASP A 91 66.453 -20.101 1.616 1.00 43.43 C ATOM 1344 C ASP A 91 65.060 -20.204 2.230 1.00 32.11 C ATOM 1345 O ASP A 91 64.737 -19.492 3.180 1.00 14.42 O ATOM 1346 CB ASP A 91 66.342 -19.786 0.123 1.00 41.34 C ATOM 1347 CG ASP A 91 66.750 -18.362 -0.201 1.00 52.51 C ATOM 1348 OD1 ASP A 91 67.968 -18.095 -0.267 1.00 3.50 O ATOM 1349 OD2 ASP A 91 65.852 -17.515 -0.386 1.00 4.14 O ATOM 0 H ASP A 91 67.741 -21.639 1.006 1.00 30.13 H new ATOM 0 HA ASP A 91 66.990 -19.293 2.113 1.00 43.43 H new ATOM 0 HB2 ASP A 91 66.970 -20.477 -0.439 1.00 41.34 H new ATOM 0 HB3 ASP A 91 65.315 -19.950 -0.204 1.00 41.34 H new ATOM 1354 N ARG A 92 64.242 -21.096 1.682 1.00 71.31 N ATOM 1355 CA ARG A 92 62.884 -21.292 2.175 1.00 3.34 C ATOM 1356 C ARG A 92 62.337 -22.648 1.739 1.00 42.43 C ATOM 1357 O ARG A 92 62.329 -22.973 0.551 1.00 32.42 O ATOM 1358 CB ARG A 92 61.969 -20.175 1.670 1.00 24.55 C ATOM 1359 CG ARG A 92 60.513 -20.356 2.063 1.00 10.44 C ATOM 1360 CD ARG A 92 59.685 -19.128 1.715 1.00 53.25 C ATOM 1361 NE ARG A 92 58.252 -19.379 1.847 1.00 50.11 N ATOM 1362 CZ ARG A 92 57.328 -18.429 1.759 1.00 23.03 C ATOM 1363 NH1 ARG A 92 57.685 -17.171 1.539 1.00 23.42 N ATOM 1364 NH2 ARG A 92 56.043 -18.735 1.890 1.00 63.41 N ATOM 0 H ARG A 92 64.496 -21.695 0.896 1.00 71.31 H new ATOM 0 HA ARG A 92 62.913 -21.265 3.264 1.00 3.34 H new ATOM 0 HB2 ARG A 92 62.326 -19.221 2.059 1.00 24.55 H new ATOM 0 HB3 ARG A 92 62.039 -20.123 0.584 1.00 24.55 H new ATOM 0 HG2 ARG A 92 60.103 -21.229 1.554 1.00 10.44 H new ATOM 0 HG3 ARG A 92 60.445 -20.550 3.133 1.00 10.44 H new ATOM 0 HD2 ARG A 92 59.970 -18.302 2.367 1.00 53.25 H new ATOM 0 HD3 ARG A 92 59.906 -18.819 0.693 1.00 53.25 H new ATOM 0 HE ARG A 92 57.944 -20.337 2.016 1.00 50.11 H new ATOM 0 HH11 ARG A 92 58.671 -16.931 1.437 1.00 23.42 H new ATOM 0 HH12 ARG A 92 56.973 -16.443 1.472 1.00 23.42 H new ATOM 0 HH21 ARG A 92 55.763 -19.701 2.059 1.00 63.41 H new ATOM 0 HH22 ARG A 92 55.335 -18.004 1.822 1.00 63.41 H new ATOM 1378 N VAL A 93 61.880 -23.436 2.708 1.00 45.13 N ATOM 1379 CA VAL A 93 61.331 -24.755 2.423 1.00 75.23 C ATOM 1380 C VAL A 93 59.850 -24.823 2.780 1.00 1.51 C ATOM 1381 O VAL A 93 59.481 -24.775 3.953 1.00 44.33 O ATOM 1382 CB VAL A 93 62.084 -25.855 3.196 1.00 23.21 C ATOM 1383 CG1 VAL A 93 62.988 -26.643 2.260 1.00 44.31 C ATOM 1384 CG2 VAL A 93 62.885 -25.249 4.339 1.00 60.14 C ATOM 0 H VAL A 93 61.880 -23.183 3.696 1.00 45.13 H new ATOM 0 HA VAL A 93 61.452 -24.924 1.353 1.00 75.23 H new ATOM 0 HB VAL A 93 61.352 -26.543 3.619 1.00 23.21 H new ATOM 0 HG11 VAL A 93 63.511 -27.415 2.824 1.00 44.31 H new ATOM 0 HG12 VAL A 93 62.386 -27.109 1.480 1.00 44.31 H new ATOM 0 HG13 VAL A 93 63.715 -25.971 1.805 1.00 44.31 H new ATOM 0 HG21 VAL A 93 63.411 -26.040 4.874 1.00 60.14 H new ATOM 0 HG22 VAL A 93 63.609 -24.538 3.940 1.00 60.14 H new ATOM 0 HG23 VAL A 93 62.210 -24.734 5.023 1.00 60.14 H new ATOM 1394 N SER A 94 59.005 -24.936 1.759 1.00 24.45 N ATOM 1395 CA SER A 94 57.564 -25.006 1.964 1.00 10.22 C ATOM 1396 C SER A 94 57.053 -26.426 1.743 1.00 0.41 C ATOM 1397 O SER A 94 56.959 -26.911 0.615 1.00 73.12 O ATOM 1398 CB SER A 94 56.845 -24.040 1.020 1.00 64.54 C ATOM 1399 OG SER A 94 57.415 -24.077 -0.277 1.00 44.35 O ATOM 0 H SER A 94 59.295 -24.981 0.782 1.00 24.45 H new ATOM 0 HA SER A 94 57.354 -24.719 2.994 1.00 10.22 H new ATOM 0 HB2 SER A 94 55.788 -24.300 0.964 1.00 64.54 H new ATOM 0 HB3 SER A 94 56.903 -23.027 1.418 1.00 64.54 H new ATOM 0 HG SER A 94 57.506 -25.008 -0.568 1.00 44.35 H new ATOM 1405 N PRO A 95 56.714 -27.110 2.846 1.00 53.22 N ATOM 1406 CA PRO A 95 56.206 -28.485 2.799 1.00 32.54 C ATOM 1407 C PRO A 95 54.806 -28.566 2.201 1.00 43.21 C ATOM 1408 O PRO A 95 54.076 -27.575 2.171 1.00 52.44 O ATOM 1409 CB PRO A 95 56.182 -28.904 4.272 1.00 31.50 C ATOM 1410 CG PRO A 95 56.058 -27.626 5.028 1.00 61.51 C ATOM 1411 CD PRO A 95 56.800 -26.595 4.223 1.00 65.20 C ATOM 0 HA PRO A 95 56.822 -29.126 2.168 1.00 32.54 H new ATOM 0 HB2 PRO A 95 55.345 -29.570 4.480 1.00 31.50 H new ATOM 0 HB3 PRO A 95 57.091 -29.439 4.546 1.00 31.50 H new ATOM 0 HG2 PRO A 95 55.012 -27.346 5.152 1.00 61.51 H new ATOM 0 HG3 PRO A 95 56.483 -27.721 6.027 1.00 61.51 H new ATOM 0 HD2 PRO A 95 56.343 -25.610 4.313 1.00 65.20 H new ATOM 0 HD3 PRO A 95 57.835 -26.497 4.551 1.00 65.20 H new ATOM 1419 N ASP A 96 54.438 -29.751 1.726 1.00 64.51 N ATOM 1420 CA ASP A 96 53.125 -29.961 1.129 1.00 4.55 C ATOM 1421 C ASP A 96 52.374 -31.079 1.846 1.00 34.35 C ATOM 1422 O ASP A 96 51.221 -31.369 1.528 1.00 13.42 O ATOM 1423 CB ASP A 96 53.264 -30.295 -0.357 1.00 50.04 C ATOM 1424 CG ASP A 96 54.320 -29.452 -1.043 1.00 62.34 C ATOM 1425 OD1 ASP A 96 54.217 -28.208 -0.986 1.00 60.30 O ATOM 1426 OD2 ASP A 96 55.250 -30.035 -1.638 1.00 21.34 O ATOM 0 H ASP A 96 55.031 -30.581 1.743 1.00 64.51 H new ATOM 0 HA ASP A 96 52.554 -29.038 1.234 1.00 4.55 H new ATOM 0 HB2 ASP A 96 53.517 -31.350 -0.467 1.00 50.04 H new ATOM 0 HB3 ASP A 96 52.305 -30.144 -0.852 1.00 50.04 H new ATOM 1457 N SER A 100 57.605 -32.179 4.335 1.00 34.33 N ATOM 1458 CA SER A 100 58.098 -32.590 3.026 1.00 42.32 C ATOM 1459 C SER A 100 58.393 -31.376 2.151 1.00 10.40 C ATOM 1460 O SER A 100 57.611 -31.033 1.262 1.00 70.41 O ATOM 1461 CB SER A 100 57.077 -33.496 2.334 1.00 60.10 C ATOM 1462 OG SER A 100 55.752 -33.094 2.635 1.00 22.42 O ATOM 0 HA SER A 100 59.025 -33.145 3.172 1.00 42.32 H new ATOM 0 HB2 SER A 100 57.233 -33.468 1.256 1.00 60.10 H new ATOM 0 HB3 SER A 100 57.228 -34.528 2.651 1.00 60.10 H new ATOM 0 HG SER A 100 55.761 -32.484 3.402 1.00 22.42 H new ATOM 1468 N CYS A 101 59.524 -30.730 2.408 1.00 32.44 N ATOM 1469 CA CYS A 101 59.924 -29.552 1.645 1.00 54.40 C ATOM 1470 C CYS A 101 61.355 -29.693 1.137 1.00 50.50 C ATOM 1471 O CYS A 101 62.091 -30.583 1.563 1.00 61.41 O ATOM 1472 CB CYS A 101 59.796 -28.294 2.505 1.00 73.24 C ATOM 1473 SG CYS A 101 59.754 -28.618 4.283 1.00 12.34 S ATOM 0 H CYS A 101 60.181 -31.002 3.139 1.00 32.44 H new ATOM 0 HA CYS A 101 59.260 -29.464 0.785 1.00 54.40 H new ATOM 0 HB2 CYS A 101 60.633 -27.631 2.287 1.00 73.24 H new ATOM 0 HB3 CYS A 101 58.887 -27.764 2.221 1.00 73.24 H new ATOM 0 HG CYS A 101 60.629 -29.533 4.578 1.00 12.34 H new ATOM 1479 N HIS A 102 61.741 -28.810 0.221 1.00 51.21 N ATOM 1480 CA HIS A 102 63.084 -28.837 -0.347 1.00 41.20 C ATOM 1481 C HIS A 102 63.370 -27.556 -1.126 1.00 74.00 C ATOM 1482 O HIS A 102 62.591 -27.156 -1.992 1.00 14.40 O ATOM 1483 CB HIS A 102 63.251 -30.051 -1.261 1.00 72.13 C ATOM 1484 CG HIS A 102 62.217 -30.133 -2.342 1.00 62.21 C ATOM 1485 ND1 HIS A 102 60.990 -30.736 -2.166 1.00 55.14 N ATOM 1486 CD2 HIS A 102 62.233 -29.682 -3.618 1.00 2.13 C ATOM 1487 CE1 HIS A 102 60.296 -30.655 -3.287 1.00 24.25 C ATOM 1488 NE2 HIS A 102 61.028 -30.018 -4.184 1.00 52.12 N ATOM 0 H HIS A 102 61.143 -28.068 -0.143 1.00 51.21 H new ATOM 0 HA HIS A 102 63.797 -28.910 0.474 1.00 41.20 H new ATOM 0 HB2 HIS A 102 64.240 -30.019 -1.717 1.00 72.13 H new ATOM 0 HB3 HIS A 102 63.208 -30.958 -0.658 1.00 72.13 H new ATOM 0 HD2 HIS A 102 63.043 -29.156 -4.101 1.00 2.13 H new ATOM 0 HE1 HIS A 102 59.300 -31.043 -3.444 1.00 24.25 H new ATOM 0 HE2 HIS A 102 60.744 -29.810 -5.141 1.00 52.12 H new ATOM 1496 N LEU A 103 64.492 -26.917 -0.812 1.00 13.31 N ATOM 1497 CA LEU A 103 64.880 -25.681 -1.481 1.00 20.12 C ATOM 1498 C LEU A 103 66.398 -25.540 -1.528 1.00 71.14 C ATOM 1499 O LEU A 103 67.100 -25.983 -0.618 1.00 22.31 O ATOM 1500 CB LEU A 103 64.268 -24.475 -0.765 1.00 23.11 C ATOM 1501 CG LEU A 103 64.235 -23.169 -1.559 1.00 62.30 C ATOM 1502 CD1 LEU A 103 65.612 -22.524 -1.584 1.00 33.20 C ATOM 1503 CD2 LEU A 103 63.734 -23.417 -2.974 1.00 61.54 C ATOM 0 H LEU A 103 65.148 -27.235 -0.099 1.00 13.31 H new ATOM 0 HA LEU A 103 64.504 -25.718 -2.504 1.00 20.12 H new ATOM 0 HB2 LEU A 103 63.247 -24.728 -0.477 1.00 23.11 H new ATOM 0 HB3 LEU A 103 64.825 -24.303 0.156 1.00 23.11 H new ATOM 0 HG LEU A 103 63.545 -22.484 -1.066 1.00 62.30 H new ATOM 0 HD11 LEU A 103 65.569 -21.596 -2.154 1.00 33.20 H new ATOM 0 HD12 LEU A 103 65.932 -22.309 -0.564 1.00 33.20 H new ATOM 0 HD13 LEU A 103 66.324 -23.204 -2.052 1.00 33.20 H new ATOM 0 HD21 LEU A 103 63.717 -22.476 -3.524 1.00 61.54 H new ATOM 0 HD22 LEU A 103 64.398 -24.120 -3.477 1.00 61.54 H new ATOM 0 HD23 LEU A 103 62.727 -23.833 -2.936 1.00 61.54 H new ATOM 1515 N TRP A 104 66.898 -24.923 -2.592 1.00 4.14 N ATOM 1516 CA TRP A 104 68.333 -24.722 -2.756 1.00 41.43 C ATOM 1517 C TRP A 104 68.885 -23.814 -1.662 1.00 45.34 C ATOM 1518 O TRP A 104 68.489 -22.653 -1.549 1.00 60.31 O ATOM 1519 CB TRP A 104 68.631 -24.125 -4.132 1.00 64.11 C ATOM 1520 CG TRP A 104 67.766 -22.949 -4.470 1.00 15.42 C ATOM 1521 CD1 TRP A 104 67.999 -21.641 -4.154 1.00 13.33 C ATOM 1522 CD2 TRP A 104 66.526 -22.975 -5.186 1.00 50.31 C ATOM 1523 NE1 TRP A 104 66.980 -20.853 -4.630 1.00 44.42 N ATOM 1524 CE2 TRP A 104 66.064 -21.646 -5.268 1.00 71.31 C ATOM 1525 CE3 TRP A 104 65.763 -23.990 -5.768 1.00 53.10 C ATOM 1526 CZ2 TRP A 104 64.874 -21.311 -5.907 1.00 44.33 C ATOM 1527 CZ3 TRP A 104 64.581 -23.655 -6.401 1.00 60.45 C ATOM 1528 CH2 TRP A 104 64.146 -22.325 -6.468 1.00 42.13 C ATOM 0 H TRP A 104 66.331 -24.553 -3.355 1.00 4.14 H new ATOM 0 HA TRP A 104 68.822 -25.693 -2.676 1.00 41.43 H new ATOM 0 HB2 TRP A 104 69.677 -23.820 -4.169 1.00 64.11 H new ATOM 0 HB3 TRP A 104 68.497 -24.896 -4.891 1.00 64.11 H new ATOM 0 HD1 TRP A 104 68.859 -21.279 -3.610 1.00 13.33 H new ATOM 0 HE1 TRP A 104 66.916 -19.840 -4.525 1.00 44.42 H new ATOM 0 HE3 TRP A 104 66.091 -25.018 -5.724 1.00 53.10 H new ATOM 0 HZ2 TRP A 104 64.537 -20.286 -5.958 1.00 44.33 H new ATOM 0 HZ3 TRP A 104 63.982 -24.432 -6.852 1.00 60.45 H new ATOM 0 HH2 TRP A 104 63.219 -22.096 -6.972 1.00 42.13 H new ATOM 1539 N LEU A 105 69.799 -24.348 -0.862 1.00 15.15 N ATOM 1540 CA LEU A 105 70.405 -23.585 0.223 1.00 20.32 C ATOM 1541 C LEU A 105 71.639 -22.831 -0.264 1.00 4.21 C ATOM 1542 O LEU A 105 72.181 -23.130 -1.327 1.00 71.51 O ATOM 1543 CB LEU A 105 70.786 -24.515 1.378 1.00 4.21 C ATOM 1544 CG LEU A 105 70.909 -25.999 1.031 1.00 20.13 C ATOM 1545 CD1 LEU A 105 72.087 -26.233 0.098 1.00 72.20 C ATOM 1546 CD2 LEU A 105 71.054 -26.832 2.296 1.00 10.45 C ATOM 0 H LEU A 105 70.137 -25.307 -0.944 1.00 15.15 H new ATOM 0 HA LEU A 105 69.673 -22.859 0.575 1.00 20.32 H new ATOM 0 HB2 LEU A 105 71.737 -24.179 1.790 1.00 4.21 H new ATOM 0 HB3 LEU A 105 70.041 -24.407 2.166 1.00 4.21 H new ATOM 0 HG LEU A 105 69.999 -26.309 0.518 1.00 20.13 H new ATOM 0 HD11 LEU A 105 72.159 -27.295 -0.138 1.00 72.20 H new ATOM 0 HD12 LEU A 105 71.941 -25.666 -0.821 1.00 72.20 H new ATOM 0 HD13 LEU A 105 73.006 -25.906 0.584 1.00 72.20 H new ATOM 0 HD21 LEU A 105 71.140 -27.886 2.030 1.00 10.45 H new ATOM 0 HD22 LEU A 105 71.947 -26.520 2.837 1.00 10.45 H new ATOM 0 HD23 LEU A 105 70.178 -26.688 2.929 1.00 10.45 H new ATOM 1558 N GLY A 106 72.076 -21.851 0.521 1.00 74.42 N ATOM 1559 CA GLY A 106 73.243 -21.071 0.154 1.00 74.31 C ATOM 1560 C GLY A 106 74.535 -21.692 0.647 1.00 13.00 C ATOM 1561 O GLY A 106 74.526 -22.515 1.563 1.00 71.21 O ATOM 0 H GLY A 106 71.642 -21.583 1.405 1.00 74.42 H new ATOM 0 HA2 GLY A 106 73.283 -20.971 -0.931 1.00 74.31 H new ATOM 0 HA3 GLY A 106 73.147 -20.065 0.564 1.00 74.31 H new ATOM 1565 N ARG A 107 75.649 -21.299 0.038 1.00 34.44 N ATOM 1566 CA ARG A 107 76.955 -21.824 0.420 1.00 51.35 C ATOM 1567 C ARG A 107 77.327 -21.384 1.831 1.00 23.41 C ATOM 1568 O ARG A 107 76.814 -20.387 2.337 1.00 3.04 O ATOM 1569 CB ARG A 107 78.024 -21.360 -0.571 1.00 30.23 C ATOM 1570 CG ARG A 107 78.518 -19.945 -0.315 1.00 54.15 C ATOM 1571 CD ARG A 107 78.644 -19.157 -1.609 1.00 74.42 C ATOM 1572 NE ARG A 107 79.716 -19.669 -2.459 1.00 20.35 N ATOM 1573 CZ ARG A 107 81.007 -19.536 -2.174 1.00 42.20 C ATOM 1574 NH1 ARG A 107 81.383 -18.912 -1.067 1.00 23.42 N ATOM 1575 NH2 ARG A 107 81.924 -20.029 -2.998 1.00 14.35 N ATOM 0 H ARG A 107 75.674 -20.619 -0.722 1.00 34.44 H new ATOM 0 HA ARG A 107 76.901 -22.912 0.402 1.00 51.35 H new ATOM 0 HB2 ARG A 107 78.871 -22.045 -0.527 1.00 30.23 H new ATOM 0 HB3 ARG A 107 77.620 -21.418 -1.582 1.00 30.23 H new ATOM 0 HG2 ARG A 107 77.829 -19.434 0.358 1.00 54.15 H new ATOM 0 HG3 ARG A 107 79.485 -19.981 0.186 1.00 54.15 H new ATOM 0 HD2 ARG A 107 77.700 -19.198 -2.152 1.00 74.42 H new ATOM 0 HD3 ARG A 107 78.834 -18.109 -1.378 1.00 74.42 H new ATOM 0 HE ARG A 107 79.460 -20.155 -3.318 1.00 20.35 H new ATOM 0 HH11 ARG A 107 80.681 -18.533 -0.432 1.00 23.42 H new ATOM 0 HH12 ARG A 107 82.375 -18.811 -0.850 1.00 23.42 H new ATOM 0 HH21 ARG A 107 81.638 -20.510 -3.851 1.00 14.35 H new ATOM 0 HH22 ARG A 107 82.915 -19.926 -2.778 1.00 14.35 H new ATOM 1589 N GLY A 108 78.225 -22.135 2.464 1.00 50.40 N ATOM 1590 CA GLY A 108 78.650 -21.805 3.811 1.00 74.24 C ATOM 1591 C GLY A 108 79.736 -22.734 4.319 1.00 11.53 C ATOM 1592 O GLY A 108 79.476 -23.900 4.616 1.00 32.12 O ATOM 0 H GLY A 108 78.665 -22.965 2.067 1.00 50.40 H new ATOM 0 HA2 GLY A 108 79.015 -20.778 3.833 1.00 74.24 H new ATOM 0 HA3 GLY A 108 77.792 -21.853 4.482 1.00 74.24 H new ATOM 1596 N VAL A 109 80.956 -22.216 4.419 1.00 53.25 N ATOM 1597 CA VAL A 109 82.085 -23.007 4.893 1.00 11.32 C ATOM 1598 C VAL A 109 82.384 -22.713 6.360 1.00 43.03 C ATOM 1599 O VAL A 109 82.441 -21.560 6.787 1.00 22.32 O ATOM 1600 CB VAL A 109 83.350 -22.737 4.058 1.00 31.24 C ATOM 1601 CG1 VAL A 109 83.758 -21.276 4.165 1.00 25.41 C ATOM 1602 CG2 VAL A 109 84.485 -23.649 4.500 1.00 30.04 C ATOM 0 H VAL A 109 81.188 -21.252 4.178 1.00 53.25 H new ATOM 0 HA VAL A 109 81.805 -24.055 4.785 1.00 11.32 H new ATOM 0 HB VAL A 109 83.127 -22.952 3.013 1.00 31.24 H new ATOM 0 HG11 VAL A 109 84.654 -21.104 3.568 1.00 25.41 H new ATOM 0 HG12 VAL A 109 82.950 -20.645 3.796 1.00 25.41 H new ATOM 0 HG13 VAL A 109 83.963 -21.031 5.207 1.00 25.41 H new ATOM 0 HG21 VAL A 109 85.371 -23.444 3.899 1.00 30.04 H new ATOM 0 HG22 VAL A 109 84.709 -23.467 5.551 1.00 30.04 H new ATOM 0 HG23 VAL A 109 84.189 -24.689 4.367 1.00 30.04 H new ATOM 1612 N PRO A 110 82.580 -23.779 7.148 1.00 75.31 N ATOM 1613 CA PRO A 110 82.878 -23.661 8.579 1.00 31.13 C ATOM 1614 C PRO A 110 84.270 -23.091 8.836 1.00 11.52 C ATOM 1615 O PRO A 110 85.102 -22.991 7.935 1.00 13.02 O ATOM 1616 CB PRO A 110 82.790 -25.104 9.081 1.00 63.43 C ATOM 1617 CG PRO A 110 83.080 -25.940 7.881 1.00 21.14 C ATOM 1618 CD PRO A 110 82.527 -25.183 6.706 1.00 24.13 C ATOM 0 HA PRO A 110 82.194 -22.978 9.083 1.00 31.13 H new ATOM 0 HB2 PRO A 110 83.510 -25.291 9.877 1.00 63.43 H new ATOM 0 HB3 PRO A 110 81.802 -25.323 9.487 1.00 63.43 H new ATOM 0 HG2 PRO A 110 84.152 -26.105 7.770 1.00 21.14 H new ATOM 0 HG3 PRO A 110 82.614 -26.922 7.967 1.00 21.14 H new ATOM 0 HD2 PRO A 110 83.123 -25.344 5.808 1.00 24.13 H new ATOM 0 HD3 PRO A 110 81.508 -25.492 6.472 1.00 24.13 H new