USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 56 THR OG1 : rot -170:sc= -0.243 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc=-0.000587 X(o=-0.00059,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -45:sc= 0.852 USER MOD Single : A 44 ASN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= -0.0907 (180deg=-0.427) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.205 F(o=-0.73,f=-0.2) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= -0.109 (180deg=-0.136) USER MOD Single : A 67 MET CE :methyl 157:sc= -2.87 (180deg=-3.99!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.228 F(o=-1.5,f=-0.23) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -142:sc= -0.01 (180deg=-0.337) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0101 F(o=-0.58,f=-0.01) USER MOD Single : A 89 TYR OH : rot -60:sc= 0.015 USER MOD Single : A 90 THR OG1 : rot 34:sc= 0.58 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 12.821 -10.107 5.389 1.00 72.15 N ATOM 433 CA VAL A 31 12.327 -9.970 4.023 1.00 34.41 C ATOM 434 C VAL A 31 10.944 -10.595 3.874 1.00 45.43 C ATOM 435 O VAL A 31 10.673 -11.300 2.902 1.00 25.12 O ATOM 436 CB VAL A 31 13.286 -10.624 3.012 1.00 61.45 C ATOM 437 CG1 VAL A 31 14.631 -9.915 3.014 1.00 11.04 C ATOM 438 CG2 VAL A 31 13.454 -12.105 3.318 1.00 61.10 C ATOM 0 HA VAL A 31 12.264 -8.902 3.814 1.00 34.41 H new ATOM 0 HB VAL A 31 12.855 -10.529 2.016 1.00 61.45 H new ATOM 0 HG11 VAL A 31 15.295 -10.392 2.293 1.00 11.04 H new ATOM 0 HG12 VAL A 31 14.491 -8.869 2.742 1.00 11.04 H new ATOM 0 HG13 VAL A 31 15.073 -9.975 4.009 1.00 11.04 H new ATOM 0 HG21 VAL A 31 14.135 -12.551 2.593 1.00 61.10 H new ATOM 0 HG22 VAL A 31 13.862 -12.225 4.322 1.00 61.10 H new ATOM 0 HG23 VAL A 31 12.485 -12.601 3.259 1.00 61.10 H new ATOM 448 N GLU A 32 10.073 -10.330 4.843 1.00 63.32 N ATOM 449 CA GLU A 32 8.717 -10.868 4.818 1.00 23.15 C ATOM 450 C GLU A 32 7.869 -10.156 3.769 1.00 61.00 C ATOM 451 O GLU A 32 6.902 -10.715 3.252 1.00 31.22 O ATOM 452 CB GLU A 32 8.066 -10.731 6.196 1.00 51.21 C ATOM 453 CG GLU A 32 8.030 -9.303 6.713 1.00 10.30 C ATOM 454 CD GLU A 32 7.188 -9.158 7.966 1.00 41.53 C ATOM 455 OE1 GLU A 32 6.956 -8.007 8.393 1.00 30.02 O ATOM 456 OE2 GLU A 32 6.763 -10.193 8.518 1.00 15.20 O ATOM 0 H GLU A 32 10.281 -9.747 5.654 1.00 63.32 H new ATOM 0 HA GLU A 32 8.776 -11.924 4.555 1.00 23.15 H new ATOM 0 HB2 GLU A 32 7.048 -11.117 6.147 1.00 51.21 H new ATOM 0 HB3 GLU A 32 8.609 -11.353 6.908 1.00 51.21 H new ATOM 0 HG2 GLU A 32 9.047 -8.970 6.922 1.00 10.30 H new ATOM 0 HG3 GLU A 32 7.634 -8.649 5.936 1.00 10.30 H new ATOM 464 N SER A 33 8.239 -8.917 3.459 1.00 14.13 N ATOM 465 CA SER A 33 7.509 -8.125 2.475 1.00 13.01 C ATOM 466 C SER A 33 8.392 -7.807 1.272 1.00 13.44 C ATOM 467 O SER A 33 7.896 -7.572 0.169 1.00 12.53 O ATOM 468 CB SER A 33 7.002 -6.828 3.107 1.00 1.24 C ATOM 469 OG SER A 33 6.052 -7.093 4.124 1.00 20.33 O ATOM 0 H SER A 33 9.039 -8.440 3.875 1.00 14.13 H new ATOM 0 HA SER A 33 6.656 -8.711 2.133 1.00 13.01 H new ATOM 0 HB2 SER A 33 7.841 -6.271 3.525 1.00 1.24 H new ATOM 0 HB3 SER A 33 6.552 -6.198 2.340 1.00 1.24 H new ATOM 0 HG SER A 33 5.745 -6.248 4.513 1.00 20.33 H new ATOM 475 N ASP A 34 9.702 -7.802 1.492 1.00 20.01 N ATOM 476 CA ASP A 34 10.655 -7.514 0.427 1.00 51.31 C ATOM 477 C ASP A 34 10.456 -8.462 -0.751 1.00 53.23 C ATOM 478 O ASP A 34 10.788 -8.130 -1.890 1.00 72.55 O ATOM 479 CB ASP A 34 12.088 -7.626 0.952 1.00 75.41 C ATOM 480 CG ASP A 34 13.104 -7.044 -0.011 1.00 21.12 C ATOM 481 OD1 ASP A 34 13.039 -5.826 -0.279 1.00 72.52 O ATOM 482 OD2 ASP A 34 13.965 -7.807 -0.496 1.00 42.35 O ATOM 0 H ASP A 34 10.128 -7.994 2.399 1.00 20.01 H new ATOM 0 HA ASP A 34 10.481 -6.494 0.083 1.00 51.31 H new ATOM 0 HB2 ASP A 34 12.162 -7.111 1.910 1.00 75.41 H new ATOM 0 HB3 ASP A 34 12.324 -8.674 1.135 1.00 75.41 H new ATOM 488 N LEU A 35 9.915 -9.642 -0.470 1.00 15.33 N ATOM 489 CA LEU A 35 9.672 -10.639 -1.507 1.00 32.05 C ATOM 490 C LEU A 35 8.871 -10.042 -2.660 1.00 4.51 C ATOM 491 O LEU A 35 9.063 -10.411 -3.818 1.00 1.30 O ATOM 492 CB LEU A 35 8.928 -11.841 -0.922 1.00 43.21 C ATOM 493 CG LEU A 35 9.220 -13.193 -1.573 1.00 73.21 C ATOM 494 CD1 LEU A 35 8.784 -13.188 -3.030 1.00 44.21 C ATOM 495 CD2 LEU A 35 10.699 -13.532 -1.458 1.00 73.23 C ATOM 0 H LEU A 35 9.636 -9.932 0.467 1.00 15.33 H new ATOM 0 HA LEU A 35 10.637 -10.969 -1.892 1.00 32.05 H new ATOM 0 HB2 LEU A 35 9.170 -11.911 0.139 1.00 43.21 H new ATOM 0 HB3 LEU A 35 7.857 -11.650 -0.993 1.00 43.21 H new ATOM 0 HG LEU A 35 8.651 -13.959 -1.047 1.00 73.21 H new ATOM 0 HD11 LEU A 35 8.999 -14.158 -3.478 1.00 44.21 H new ATOM 0 HD12 LEU A 35 7.714 -12.991 -3.089 1.00 44.21 H new ATOM 0 HD13 LEU A 35 9.326 -12.411 -3.569 1.00 44.21 H new ATOM 0 HD21 LEU A 35 10.888 -14.498 -1.927 1.00 73.23 H new ATOM 0 HD22 LEU A 35 11.288 -12.764 -1.959 1.00 73.23 H new ATOM 0 HD23 LEU A 35 10.981 -13.578 -0.406 1.00 73.23 H new ATOM 507 N ASP A 36 7.975 -9.117 -2.335 1.00 31.45 N ATOM 508 CA ASP A 36 7.147 -8.466 -3.343 1.00 21.41 C ATOM 509 C ASP A 36 8.011 -7.832 -4.429 1.00 74.42 C ATOM 510 O ASP A 36 7.574 -7.670 -5.567 1.00 52.45 O ATOM 511 CB ASP A 36 6.258 -7.402 -2.695 1.00 64.54 C ATOM 512 CG ASP A 36 6.982 -6.085 -2.499 1.00 70.42 C ATOM 513 OD1 ASP A 36 6.419 -5.036 -2.879 1.00 34.43 O ATOM 514 OD2 ASP A 36 8.110 -6.101 -1.966 1.00 32.55 O ATOM 0 H ASP A 36 7.803 -8.801 -1.381 1.00 31.45 H new ATOM 0 HA ASP A 36 6.515 -9.225 -3.804 1.00 21.41 H new ATOM 0 HB2 ASP A 36 5.377 -7.240 -3.317 1.00 64.54 H new ATOM 0 HB3 ASP A 36 5.904 -7.766 -1.730 1.00 64.54 H new ATOM 520 N MET A 37 9.239 -7.475 -4.068 1.00 34.33 N ATOM 521 CA MET A 37 10.164 -6.859 -5.011 1.00 20.52 C ATOM 522 C MET A 37 10.341 -7.733 -6.249 1.00 33.23 C ATOM 523 O MET A 37 10.602 -7.231 -7.342 1.00 22.34 O ATOM 524 CB MET A 37 11.520 -6.618 -4.346 1.00 2.43 C ATOM 525 CG MET A 37 11.468 -5.615 -3.205 1.00 13.03 C ATOM 526 SD MET A 37 11.165 -3.931 -3.773 1.00 4.43 S ATOM 527 CE MET A 37 12.404 -3.032 -2.843 1.00 3.13 C ATOM 0 H MET A 37 9.616 -7.602 -3.129 1.00 34.33 H new ATOM 0 HA MET A 37 9.744 -5.902 -5.320 1.00 20.52 H new ATOM 0 HB2 MET A 37 11.904 -7.566 -3.968 1.00 2.43 H new ATOM 0 HB3 MET A 37 12.226 -6.265 -5.097 1.00 2.43 H new ATOM 0 HG2 MET A 37 10.683 -5.905 -2.507 1.00 13.03 H new ATOM 0 HG3 MET A 37 12.410 -5.645 -2.657 1.00 13.03 H new ATOM 0 HE1 MET A 37 12.343 -1.971 -3.086 1.00 3.13 H new ATOM 0 HE2 MET A 37 12.229 -3.170 -1.776 1.00 3.13 H new ATOM 0 HE3 MET A 37 13.395 -3.407 -3.100 1.00 3.13 H new ATOM 537 N GLN A 38 10.195 -9.042 -6.069 1.00 1.30 N ATOM 538 CA GLN A 38 10.340 -9.985 -7.171 1.00 43.24 C ATOM 539 C GLN A 38 9.097 -9.984 -8.055 1.00 61.21 C ATOM 540 O GLN A 38 9.169 -10.297 -9.244 1.00 12.43 O ATOM 541 CB GLN A 38 10.598 -11.394 -6.635 1.00 45.15 C ATOM 542 CG GLN A 38 12.062 -11.672 -6.334 1.00 34.10 C ATOM 543 CD GLN A 38 12.250 -12.823 -5.366 1.00 51.02 C ATOM 544 OE1 GLN A 38 11.867 -13.958 -5.651 1.00 53.52 O ATOM 545 NE2 GLN A 38 12.844 -12.537 -4.213 1.00 50.24 N ATOM 0 H GLN A 38 9.977 -9.473 -5.171 1.00 1.30 H new ATOM 0 HA GLN A 38 11.193 -9.672 -7.774 1.00 43.24 H new ATOM 0 HB2 GLN A 38 10.015 -11.540 -5.726 1.00 45.15 H new ATOM 0 HB3 GLN A 38 10.241 -12.122 -7.364 1.00 45.15 H new ATOM 0 HG2 GLN A 38 12.584 -11.896 -7.264 1.00 34.10 H new ATOM 0 HG3 GLN A 38 12.520 -10.774 -5.919 1.00 34.10 H new ATOM 0 HE21 GLN A 38 13.146 -11.582 -4.018 1.00 50.24 H new ATOM 0 HE22 GLN A 38 12.999 -13.272 -3.523 1.00 50.24 H new ATOM 554 N GLN A 39 7.959 -9.631 -7.466 1.00 64.33 N ATOM 555 CA GLN A 39 6.700 -9.591 -8.201 1.00 12.22 C ATOM 556 C GLN A 39 6.635 -8.364 -9.104 1.00 42.32 C ATOM 557 O GLN A 39 5.914 -8.351 -10.101 1.00 62.43 O ATOM 558 CB GLN A 39 5.519 -9.587 -7.230 1.00 15.32 C ATOM 559 CG GLN A 39 5.622 -10.643 -6.142 1.00 32.21 C ATOM 560 CD GLN A 39 5.523 -12.054 -6.687 1.00 31.31 C ATOM 561 OE1 GLN A 39 4.428 -12.577 -6.895 1.00 12.33 O ATOM 562 NE2 GLN A 39 6.671 -12.680 -6.923 1.00 53.44 N ATOM 0 H GLN A 39 7.883 -9.369 -6.483 1.00 64.33 H new ATOM 0 HA GLN A 39 6.645 -10.482 -8.826 1.00 12.22 H new ATOM 0 HB2 GLN A 39 5.445 -8.604 -6.765 1.00 15.32 H new ATOM 0 HB3 GLN A 39 4.598 -9.744 -7.791 1.00 15.32 H new ATOM 0 HG2 GLN A 39 6.570 -10.526 -5.616 1.00 32.21 H new ATOM 0 HG3 GLN A 39 4.830 -10.484 -5.410 1.00 32.21 H new ATOM 0 HE21 GLN A 39 7.556 -12.209 -6.736 1.00 53.44 H new ATOM 0 HE22 GLN A 39 6.667 -13.631 -7.291 1.00 53.44 H new ATOM 571 N ALA A 40 7.394 -7.332 -8.747 1.00 64.32 N ATOM 572 CA ALA A 40 7.424 -6.101 -9.527 1.00 53.43 C ATOM 573 C ALA A 40 7.966 -6.351 -10.930 1.00 5.24 C ATOM 574 O ALA A 40 7.675 -5.603 -11.861 1.00 54.30 O ATOM 575 CB ALA A 40 8.260 -5.046 -8.815 1.00 62.23 C ATOM 0 H ALA A 40 7.996 -7.325 -7.923 1.00 64.32 H new ATOM 0 HA ALA A 40 6.401 -5.736 -9.622 1.00 53.43 H new ATOM 0 HB1 ALA A 40 8.274 -4.132 -9.408 1.00 62.23 H new ATOM 0 HB2 ALA A 40 7.826 -4.837 -7.837 1.00 62.23 H new ATOM 0 HB3 ALA A 40 9.279 -5.413 -8.689 1.00 62.23 H new ATOM 581 N MET A 41 8.759 -7.409 -11.072 1.00 73.31 N ATOM 582 CA MET A 41 9.343 -7.758 -12.362 1.00 14.20 C ATOM 583 C MET A 41 8.306 -8.417 -13.267 1.00 64.41 C ATOM 584 O MET A 41 8.211 -8.101 -14.453 1.00 43.14 O ATOM 585 CB MET A 41 10.537 -8.694 -12.169 1.00 50.21 C ATOM 586 CG MET A 41 11.578 -8.158 -11.201 1.00 12.24 C ATOM 587 SD MET A 41 12.545 -6.805 -11.898 1.00 54.20 S ATOM 588 CE MET A 41 13.843 -7.712 -12.735 1.00 53.02 C ATOM 0 H MET A 41 9.011 -8.039 -10.310 1.00 73.31 H new ATOM 0 HA MET A 41 9.685 -6.839 -12.839 1.00 14.20 H new ATOM 0 HB2 MET A 41 10.178 -9.658 -11.807 1.00 50.21 H new ATOM 0 HB3 MET A 41 11.009 -8.872 -13.135 1.00 50.21 H new ATOM 0 HG2 MET A 41 11.082 -7.814 -10.294 1.00 12.24 H new ATOM 0 HG3 MET A 41 12.249 -8.967 -10.911 1.00 12.24 H new ATOM 0 HE1 MET A 41 14.524 -7.011 -13.217 1.00 53.02 H new ATOM 0 HE2 MET A 41 14.393 -8.312 -12.010 1.00 53.02 H new ATOM 0 HE3 MET A 41 13.403 -8.366 -13.488 1.00 53.02 H new ATOM 598 N LEU A 42 7.531 -9.335 -12.700 1.00 22.43 N ATOM 599 CA LEU A 42 6.501 -10.040 -13.455 1.00 41.24 C ATOM 600 C LEU A 42 5.366 -9.097 -13.839 1.00 40.43 C ATOM 601 O LEU A 42 4.597 -9.374 -14.759 1.00 72.15 O ATOM 602 CB LEU A 42 5.952 -11.211 -12.638 1.00 25.50 C ATOM 603 CG LEU A 42 6.704 -12.535 -12.775 1.00 22.42 C ATOM 604 CD1 LEU A 42 8.169 -12.358 -12.405 1.00 42.24 C ATOM 605 CD2 LEU A 42 6.061 -13.607 -11.907 1.00 74.05 C ATOM 0 H LEU A 42 7.596 -9.609 -11.720 1.00 22.43 H new ATOM 0 HA LEU A 42 6.955 -10.424 -14.369 1.00 41.24 H new ATOM 0 HB2 LEU A 42 5.949 -10.925 -11.586 1.00 25.50 H new ATOM 0 HB3 LEU A 42 4.914 -11.374 -12.927 1.00 25.50 H new ATOM 0 HG LEU A 42 6.648 -12.855 -13.815 1.00 22.42 H new ATOM 0 HD11 LEU A 42 8.688 -13.311 -12.509 1.00 42.24 H new ATOM 0 HD12 LEU A 42 8.625 -11.622 -13.067 1.00 42.24 H new ATOM 0 HD13 LEU A 42 8.245 -12.014 -11.374 1.00 42.24 H new ATOM 0 HD21 LEU A 42 6.610 -14.542 -12.018 1.00 74.05 H new ATOM 0 HD22 LEU A 42 6.085 -13.293 -10.863 1.00 74.05 H new ATOM 0 HD23 LEU A 42 5.027 -13.754 -12.217 1.00 74.05 H new ATOM 617 N THR A 43 5.268 -7.977 -13.128 1.00 62.52 N ATOM 618 CA THR A 43 4.228 -6.992 -13.395 1.00 13.23 C ATOM 619 C THR A 43 4.826 -5.683 -13.899 1.00 71.43 C ATOM 620 O THR A 43 4.426 -4.601 -13.473 1.00 34.22 O ATOM 621 CB THR A 43 3.388 -6.706 -12.135 1.00 25.43 C ATOM 622 OG1 THR A 43 2.344 -5.776 -12.442 1.00 22.25 O ATOM 623 CG2 THR A 43 4.259 -6.148 -11.020 1.00 34.53 C ATOM 0 H THR A 43 5.896 -7.730 -12.363 1.00 62.52 H new ATOM 0 HA THR A 43 3.583 -7.415 -14.165 1.00 13.23 H new ATOM 0 HB THR A 43 2.949 -7.645 -11.797 1.00 25.43 H new ATOM 0 HG1 THR A 43 2.707 -5.043 -12.981 1.00 22.25 H new ATOM 0 HG21 THR A 43 3.645 -5.954 -10.141 1.00 34.53 H new ATOM 0 HG22 THR A 43 5.035 -6.871 -10.768 1.00 34.53 H new ATOM 0 HG23 THR A 43 4.723 -5.219 -11.351 1.00 34.53 H new ATOM 631 N ASN A 44 5.786 -5.791 -14.813 1.00 3.05 N ATOM 632 CA ASN A 44 6.440 -4.616 -15.376 1.00 54.31 C ATOM 633 C ASN A 44 5.410 -3.618 -15.896 1.00 14.30 C ATOM 634 O ASN A 44 4.639 -3.921 -16.808 1.00 32.44 O ATOM 635 CB ASN A 44 7.385 -5.024 -16.507 1.00 22.54 C ATOM 636 CG ASN A 44 8.410 -3.951 -16.821 1.00 33.04 C ATOM 637 OD1 ASN A 44 8.420 -3.388 -17.916 1.00 32.45 O ATOM 638 ND2 ASN A 44 9.279 -3.664 -15.858 1.00 51.42 N ATOM 0 H ASN A 44 6.127 -6.680 -15.179 1.00 3.05 H new ATOM 0 HA ASN A 44 7.017 -4.139 -14.584 1.00 54.31 H new ATOM 0 HB2 ASN A 44 7.900 -5.945 -16.232 1.00 22.54 H new ATOM 0 HB3 ASN A 44 6.803 -5.240 -17.403 1.00 22.54 H new ATOM 0 HD21 ASN A 44 9.992 -2.951 -16.011 1.00 51.42 H new ATOM 0 HD22 ASN A 44 9.233 -4.157 -14.966 1.00 51.42 H new ATOM 718 N VAL A 49 0.281 3.069 -18.846 1.00 62.45 N ATOM 719 CA VAL A 49 -0.239 2.700 -17.536 1.00 33.32 C ATOM 720 C VAL A 49 -0.229 3.891 -16.585 1.00 54.22 C ATOM 721 O VAL A 49 -1.103 4.021 -15.726 1.00 41.24 O ATOM 722 CB VAL A 49 0.575 1.551 -16.911 1.00 42.31 C ATOM 723 CG1 VAL A 49 0.172 1.338 -15.460 1.00 55.23 C ATOM 724 CG2 VAL A 49 0.398 0.273 -17.717 1.00 53.42 C ATOM 0 HA VAL A 49 -1.266 2.367 -17.686 1.00 33.32 H new ATOM 0 HB VAL A 49 1.630 1.823 -16.932 1.00 42.31 H new ATOM 0 HG11 VAL A 49 0.758 0.523 -15.036 1.00 55.23 H new ATOM 0 HG12 VAL A 49 0.357 2.251 -14.893 1.00 55.23 H new ATOM 0 HG13 VAL A 49 -0.888 1.088 -15.410 1.00 55.23 H new ATOM 0 HG21 VAL A 49 0.980 -0.528 -17.261 1.00 53.42 H new ATOM 0 HG22 VAL A 49 -0.656 -0.006 -17.730 1.00 53.42 H new ATOM 0 HG23 VAL A 49 0.743 0.436 -18.738 1.00 53.42 H new ATOM 734 N LEU A 50 0.763 4.759 -16.745 1.00 13.44 N ATOM 735 CA LEU A 50 0.887 5.942 -15.900 1.00 14.45 C ATOM 736 C LEU A 50 -0.357 6.820 -16.005 1.00 61.31 C ATOM 737 O LEU A 50 -0.756 7.469 -15.038 1.00 20.13 O ATOM 738 CB LEU A 50 2.127 6.747 -16.294 1.00 61.13 C ATOM 739 CG LEU A 50 3.443 5.970 -16.344 1.00 12.22 C ATOM 740 CD1 LEU A 50 4.565 6.853 -16.869 1.00 52.32 C ATOM 741 CD2 LEU A 50 3.791 5.423 -14.967 1.00 4.11 C ATOM 0 H LEU A 50 1.493 4.667 -17.451 1.00 13.44 H new ATOM 0 HA LEU A 50 0.989 5.610 -14.867 1.00 14.45 H new ATOM 0 HB2 LEU A 50 1.952 7.190 -17.275 1.00 61.13 H new ATOM 0 HB3 LEU A 50 2.241 7.570 -15.589 1.00 61.13 H new ATOM 0 HG LEU A 50 3.321 5.129 -17.027 1.00 12.22 H new ATOM 0 HD11 LEU A 50 5.494 6.283 -16.897 1.00 52.32 H new ATOM 0 HD12 LEU A 50 4.319 7.196 -17.874 1.00 52.32 H new ATOM 0 HD13 LEU A 50 4.688 7.714 -16.212 1.00 52.32 H new ATOM 0 HD21 LEU A 50 4.730 4.873 -15.021 1.00 4.11 H new ATOM 0 HD22 LEU A 50 3.894 6.249 -14.263 1.00 4.11 H new ATOM 0 HD23 LEU A 50 2.998 4.755 -14.630 1.00 4.11 H new ATOM 753 N LYS A 51 -0.967 6.834 -17.185 1.00 64.52 N ATOM 754 CA LYS A 51 -2.167 7.627 -17.418 1.00 62.04 C ATOM 755 C LYS A 51 -3.217 7.353 -16.345 1.00 3.51 C ATOM 756 O LYS A 51 -3.959 8.250 -15.947 1.00 2.32 O ATOM 757 CB LYS A 51 -2.745 7.322 -18.802 1.00 32.43 C ATOM 758 CG LYS A 51 -1.809 7.676 -19.944 1.00 54.34 C ATOM 759 CD LYS A 51 -1.573 9.175 -20.025 1.00 5.31 C ATOM 760 CE LYS A 51 -2.855 9.925 -20.354 1.00 63.13 C ATOM 761 NZ LYS A 51 -3.507 9.396 -21.584 1.00 61.21 N ATOM 0 H LYS A 51 -0.649 6.304 -17.996 1.00 64.52 H new ATOM 0 HA LYS A 51 -1.891 8.680 -17.371 1.00 62.04 H new ATOM 0 HB2 LYS A 51 -2.989 6.261 -18.859 1.00 32.43 H new ATOM 0 HB3 LYS A 51 -3.679 7.871 -18.925 1.00 32.43 H new ATOM 0 HG2 LYS A 51 -0.857 7.163 -19.808 1.00 54.34 H new ATOM 0 HG3 LYS A 51 -2.230 7.321 -20.885 1.00 54.34 H new ATOM 0 HD2 LYS A 51 -1.174 9.533 -19.076 1.00 5.31 H new ATOM 0 HD3 LYS A 51 -0.822 9.385 -20.786 1.00 5.31 H new ATOM 0 HE2 LYS A 51 -3.546 9.848 -19.515 1.00 63.13 H new ATOM 0 HE3 LYS A 51 -2.632 10.984 -20.488 1.00 63.13 H new ATOM 0 HZ1 LYS A 51 -3.910 10.184 -22.130 1.00 61.21 H new ATOM 0 HZ2 LYS A 51 -2.802 8.898 -22.164 1.00 61.21 H new ATOM 0 HZ3 LYS A 51 -4.265 8.736 -21.318 1.00 61.21 H new ATOM 775 N ALA A 52 -3.271 6.110 -15.881 1.00 34.24 N ATOM 776 CA ALA A 52 -4.226 5.719 -14.852 1.00 55.02 C ATOM 777 C ALA A 52 -3.838 6.296 -13.495 1.00 52.31 C ATOM 778 O ALA A 52 -4.691 6.773 -12.745 1.00 14.42 O ATOM 779 CB ALA A 52 -4.329 4.204 -14.773 1.00 24.55 C ATOM 0 H ALA A 52 -2.664 5.355 -16.202 1.00 34.24 H new ATOM 0 HA ALA A 52 -5.201 6.124 -15.125 1.00 55.02 H new ATOM 0 HB1 ALA A 52 -5.046 3.928 -14.000 1.00 24.55 H new ATOM 0 HB2 ALA A 52 -4.662 3.811 -15.734 1.00 24.55 H new ATOM 0 HB3 ALA A 52 -3.353 3.785 -14.529 1.00 24.55 H new ATOM 785 N LEU A 53 -2.547 6.250 -13.184 1.00 50.35 N ATOM 786 CA LEU A 53 -2.046 6.769 -11.916 1.00 65.15 C ATOM 787 C LEU A 53 -2.369 8.251 -11.768 1.00 52.04 C ATOM 788 O LEU A 53 -2.388 8.784 -10.659 1.00 70.33 O ATOM 789 CB LEU A 53 -0.535 6.552 -11.817 1.00 12.22 C ATOM 790 CG LEU A 53 -0.047 5.118 -12.024 1.00 42.31 C ATOM 791 CD1 LEU A 53 1.466 5.044 -11.889 1.00 2.32 C ATOM 792 CD2 LEU A 53 -0.718 4.178 -11.033 1.00 53.50 C ATOM 0 H LEU A 53 -1.828 5.859 -13.793 1.00 50.35 H new ATOM 0 HA LEU A 53 -2.539 6.227 -11.109 1.00 65.15 H new ATOM 0 HB2 LEU A 53 -0.048 7.190 -12.554 1.00 12.22 H new ATOM 0 HB3 LEU A 53 -0.204 6.889 -10.835 1.00 12.22 H new ATOM 0 HG LEU A 53 -0.317 4.805 -13.032 1.00 42.31 H new ATOM 0 HD11 LEU A 53 1.795 4.016 -12.039 1.00 2.32 H new ATOM 0 HD12 LEU A 53 1.930 5.687 -12.637 1.00 2.32 H new ATOM 0 HD13 LEU A 53 1.759 5.377 -10.893 1.00 2.32 H new ATOM 0 HD21 LEU A 53 -0.359 3.162 -11.195 1.00 53.50 H new ATOM 0 HD22 LEU A 53 -0.479 4.490 -10.016 1.00 53.50 H new ATOM 0 HD23 LEU A 53 -1.798 4.208 -11.177 1.00 53.50 H new ATOM 804 N GLU A 54 -2.626 8.912 -12.893 1.00 75.55 N ATOM 805 CA GLU A 54 -2.952 10.333 -12.887 1.00 3.11 C ATOM 806 C GLU A 54 -4.290 10.582 -12.197 1.00 53.40 C ATOM 807 O GLU A 54 -4.447 11.552 -11.454 1.00 61.41 O ATOM 808 CB GLU A 54 -2.993 10.875 -14.317 1.00 10.51 C ATOM 809 CG GLU A 54 -1.669 10.754 -15.053 1.00 33.50 C ATOM 810 CD GLU A 54 -0.486 11.161 -14.197 1.00 23.42 C ATOM 811 OE1 GLU A 54 -0.079 12.339 -14.271 1.00 21.05 O ATOM 812 OE2 GLU A 54 0.033 10.302 -13.454 1.00 22.12 O ATOM 0 H GLU A 54 -2.615 8.486 -13.820 1.00 75.55 H new ATOM 0 HA GLU A 54 -2.174 10.856 -12.330 1.00 3.11 H new ATOM 0 HB2 GLU A 54 -3.760 10.341 -14.877 1.00 10.51 H new ATOM 0 HB3 GLU A 54 -3.290 11.924 -14.291 1.00 10.51 H new ATOM 0 HG2 GLU A 54 -1.535 9.725 -15.385 1.00 33.50 H new ATOM 0 HG3 GLU A 54 -1.697 11.376 -15.947 1.00 33.50 H new ATOM 820 N ARG A 55 -5.252 9.700 -12.450 1.00 14.32 N ATOM 821 CA ARG A 55 -6.577 9.825 -11.856 1.00 54.45 C ATOM 822 C ARG A 55 -6.566 9.366 -10.401 1.00 14.44 C ATOM 823 O ARG A 55 -7.295 9.901 -9.563 1.00 44.40 O ATOM 824 CB ARG A 55 -7.595 9.006 -12.652 1.00 53.22 C ATOM 825 CG ARG A 55 -8.941 8.867 -11.959 1.00 54.23 C ATOM 826 CD ARG A 55 -9.541 10.225 -11.630 1.00 52.35 C ATOM 827 NE ARG A 55 -10.959 10.295 -11.974 1.00 41.10 N ATOM 828 CZ ARG A 55 -11.741 11.322 -11.661 1.00 70.52 C ATOM 829 NH1 ARG A 55 -11.247 12.361 -11.003 1.00 24.25 N ATOM 830 NH2 ARG A 55 -13.022 11.311 -12.009 1.00 14.41 N ATOM 0 H ARG A 55 -5.138 8.892 -13.062 1.00 14.32 H new ATOM 0 HA ARG A 55 -6.863 10.876 -11.885 1.00 54.45 H new ATOM 0 HB2 ARG A 55 -7.744 9.474 -13.625 1.00 53.22 H new ATOM 0 HB3 ARG A 55 -7.186 8.012 -12.835 1.00 53.22 H new ATOM 0 HG2 ARG A 55 -9.626 8.311 -12.600 1.00 54.23 H new ATOM 0 HG3 ARG A 55 -8.822 8.289 -11.043 1.00 54.23 H new ATOM 0 HD2 ARG A 55 -9.416 10.429 -10.567 1.00 52.35 H new ATOM 0 HD3 ARG A 55 -8.998 11.001 -12.169 1.00 52.35 H new ATOM 0 HE ARG A 55 -11.371 9.513 -12.482 1.00 41.10 H new ATOM 0 HH11 ARG A 55 -10.263 12.374 -10.735 1.00 24.25 H new ATOM 0 HH12 ARG A 55 -11.851 13.148 -10.765 1.00 24.25 H new ATOM 0 HH21 ARG A 55 -13.406 10.514 -12.517 1.00 14.41 H new ATOM 0 HH22 ARG A 55 -13.623 12.100 -11.769 1.00 14.41 H new ATOM 844 N THR A 56 -5.736 8.372 -10.105 1.00 62.32 N ATOM 845 CA THR A 56 -5.631 7.840 -8.753 1.00 32.12 C ATOM 846 C THR A 56 -4.862 8.793 -7.845 1.00 22.23 C ATOM 847 O THR A 56 -5.266 9.045 -6.710 1.00 44.12 O ATOM 848 CB THR A 56 -4.935 6.465 -8.742 1.00 1.31 C ATOM 849 OG1 THR A 56 -3.517 6.633 -8.839 1.00 2.25 O ATOM 850 CG2 THR A 56 -5.429 5.600 -9.892 1.00 23.41 C ATOM 0 H THR A 56 -5.126 7.918 -10.785 1.00 62.32 H new ATOM 0 HA THR A 56 -6.648 7.727 -8.379 1.00 32.12 H new ATOM 0 HB THR A 56 -5.177 5.967 -7.803 1.00 1.31 H new ATOM 0 HG1 THR A 56 -3.094 5.762 -8.990 1.00 2.25 H new ATOM 0 HG21 THR A 56 -4.924 4.634 -9.864 1.00 23.41 H new ATOM 0 HG22 THR A 56 -6.505 5.450 -9.798 1.00 23.41 H new ATOM 0 HG23 THR A 56 -5.213 6.095 -10.839 1.00 23.41 H new ATOM 858 N ARG A 57 -3.752 9.320 -8.353 1.00 40.23 N ATOM 859 CA ARG A 57 -2.926 10.246 -7.587 1.00 31.31 C ATOM 860 C ARG A 57 -3.749 11.436 -7.104 1.00 43.24 C ATOM 861 O ARG A 57 -3.427 12.054 -6.089 1.00 43.35 O ATOM 862 CB ARG A 57 -1.751 10.735 -8.435 1.00 60.21 C ATOM 863 CG ARG A 57 -2.164 11.637 -9.586 1.00 64.43 C ATOM 864 CD ARG A 57 -0.987 12.443 -10.113 1.00 24.12 C ATOM 865 NE ARG A 57 0.135 11.589 -10.493 1.00 62.11 N ATOM 866 CZ ARG A 57 1.323 12.056 -10.858 1.00 65.21 C ATOM 867 NH1 ARG A 57 1.544 13.362 -10.893 1.00 15.53 N ATOM 868 NH2 ARG A 57 2.295 11.215 -11.190 1.00 11.30 N ATOM 0 H ARG A 57 -3.404 9.122 -9.291 1.00 40.23 H new ATOM 0 HA ARG A 57 -2.541 9.716 -6.716 1.00 31.31 H new ATOM 0 HB2 ARG A 57 -1.052 11.274 -7.795 1.00 60.21 H new ATOM 0 HB3 ARG A 57 -1.218 9.872 -8.834 1.00 60.21 H new ATOM 0 HG2 ARG A 57 -2.582 11.033 -10.391 1.00 64.43 H new ATOM 0 HG3 ARG A 57 -2.951 12.315 -9.254 1.00 64.43 H new ATOM 0 HD2 ARG A 57 -1.306 13.028 -10.976 1.00 24.12 H new ATOM 0 HD3 ARG A 57 -0.662 13.151 -9.350 1.00 24.12 H new ATOM 0 HE ARG A 57 -0.002 10.578 -10.477 1.00 62.11 H new ATOM 0 HH11 ARG A 57 0.800 14.012 -10.639 1.00 15.53 H new ATOM 0 HH12 ARG A 57 2.458 13.717 -11.174 1.00 15.53 H new ATOM 0 HH21 ARG A 57 2.130 10.209 -11.165 1.00 11.30 H new ATOM 0 HH22 ARG A 57 3.207 11.575 -11.470 1.00 11.30 H new ATOM 882 N GLN A 58 -4.812 11.752 -7.838 1.00 22.44 N ATOM 883 CA GLN A 58 -5.679 12.869 -7.484 1.00 74.44 C ATOM 884 C GLN A 58 -6.386 12.611 -6.158 1.00 32.13 C ATOM 885 O GLN A 58 -6.538 13.516 -5.336 1.00 53.14 O ATOM 886 CB GLN A 58 -6.711 13.109 -8.588 1.00 11.11 C ATOM 887 CG GLN A 58 -6.135 13.778 -9.825 1.00 24.03 C ATOM 888 CD GLN A 58 -5.767 15.229 -9.587 1.00 11.10 C ATOM 889 OE1 GLN A 58 -4.569 15.457 -9.060 1.00 14.15 O flip ATOM 890 NE2 GLN A 58 -6.550 16.135 -9.873 1.00 54.41 N flip ATOM 0 H GLN A 58 -5.093 11.250 -8.681 1.00 22.44 H new ATOM 0 HA GLN A 58 -5.058 13.758 -7.376 1.00 74.44 H new ATOM 0 HB2 GLN A 58 -7.153 12.155 -8.874 1.00 11.11 H new ATOM 0 HB3 GLN A 58 -7.517 13.728 -8.192 1.00 11.11 H new ATOM 0 HG2 GLN A 58 -5.250 13.231 -10.150 1.00 24.03 H new ATOM 0 HG3 GLN A 58 -6.861 13.720 -10.636 1.00 24.03 H new ATOM 0 HE21 GLN A 58 -7.460 15.914 -10.276 1.00 54.41 H new ATOM 0 HE22 GLN A 58 -6.288 17.107 -9.707 1.00 54.41 H new ATOM 899 N LEU A 59 -6.817 11.370 -5.954 1.00 11.42 N ATOM 900 CA LEU A 59 -7.509 10.993 -4.727 1.00 23.34 C ATOM 901 C LEU A 59 -6.526 10.458 -3.690 1.00 54.44 C ATOM 902 O LEU A 59 -6.926 9.860 -2.692 1.00 0.03 O ATOM 903 CB LEU A 59 -8.578 9.940 -5.024 1.00 32.21 C ATOM 904 CG LEU A 59 -9.477 10.217 -6.230 1.00 23.23 C ATOM 905 CD1 LEU A 59 -9.447 9.045 -7.198 1.00 12.32 C ATOM 906 CD2 LEU A 59 -10.902 10.504 -5.778 1.00 23.53 C ATOM 0 H LEU A 59 -6.699 10.609 -6.623 1.00 11.42 H new ATOM 0 HA LEU A 59 -7.988 11.884 -4.321 1.00 23.34 H new ATOM 0 HB2 LEU A 59 -8.082 8.982 -5.178 1.00 32.21 H new ATOM 0 HB3 LEU A 59 -9.210 9.834 -4.142 1.00 32.21 H new ATOM 0 HG LEU A 59 -9.098 11.098 -6.748 1.00 23.23 H new ATOM 0 HD11 LEU A 59 -10.092 9.260 -8.050 1.00 12.32 H new ATOM 0 HD12 LEU A 59 -8.426 8.887 -7.547 1.00 12.32 H new ATOM 0 HD13 LEU A 59 -9.801 8.146 -6.692 1.00 12.32 H new ATOM 0 HD21 LEU A 59 -11.528 10.699 -6.649 1.00 23.53 H new ATOM 0 HD22 LEU A 59 -11.292 9.642 -5.236 1.00 23.53 H new ATOM 0 HD23 LEU A 59 -10.908 11.376 -5.125 1.00 23.53 H new ATOM 918 N ASP A 60 -5.239 10.679 -3.934 1.00 13.31 N ATOM 919 CA ASP A 60 -4.198 10.222 -3.020 1.00 54.52 C ATOM 920 C ASP A 60 -4.171 8.699 -2.946 1.00 25.43 C ATOM 921 O ASP A 60 -4.591 8.109 -1.950 1.00 72.52 O ATOM 922 CB ASP A 60 -4.421 10.810 -1.626 1.00 24.43 C ATOM 923 CG ASP A 60 -4.819 12.271 -1.670 1.00 53.20 C ATOM 924 OD1 ASP A 60 -4.263 13.013 -2.507 1.00 72.20 O ATOM 925 OD2 ASP A 60 -5.687 12.673 -0.867 1.00 41.15 O ATOM 0 H ASP A 60 -4.891 11.172 -4.757 1.00 13.31 H new ATOM 0 HA ASP A 60 -3.236 10.566 -3.401 1.00 54.52 H new ATOM 0 HB2 ASP A 60 -5.197 10.240 -1.115 1.00 24.43 H new ATOM 0 HB3 ASP A 60 -3.508 10.703 -1.040 1.00 24.43 H new ATOM 931 N ILE A 61 -3.674 8.069 -4.005 1.00 31.01 N ATOM 932 CA ILE A 61 -3.593 6.615 -4.059 1.00 64.35 C ATOM 933 C ILE A 61 -2.186 6.157 -4.433 1.00 34.34 C ATOM 934 O ILE A 61 -1.585 6.636 -5.394 1.00 70.44 O ATOM 935 CB ILE A 61 -4.596 6.031 -5.073 1.00 4.14 C ATOM 936 CG1 ILE A 61 -5.981 6.644 -4.861 1.00 13.31 C ATOM 937 CG2 ILE A 61 -4.655 4.516 -4.947 1.00 32.13 C ATOM 938 CD1 ILE A 61 -6.989 6.239 -5.915 1.00 0.33 C ATOM 0 H ILE A 61 -3.322 8.543 -4.837 1.00 31.01 H new ATOM 0 HA ILE A 61 -3.841 6.248 -3.063 1.00 64.35 H new ATOM 0 HB ILE A 61 -4.260 6.278 -6.080 1.00 4.14 H new ATOM 0 HG12 ILE A 61 -6.354 6.348 -3.880 1.00 13.31 H new ATOM 0 HG13 ILE A 61 -5.891 7.730 -4.854 1.00 13.31 H new ATOM 0 HG21 ILE A 61 -5.368 4.118 -5.670 1.00 32.13 H new ATOM 0 HG22 ILE A 61 -3.668 4.096 -5.142 1.00 32.13 H new ATOM 0 HG23 ILE A 61 -4.972 4.247 -3.939 1.00 32.13 H new ATOM 0 HD11 ILE A 61 -7.948 6.711 -5.701 1.00 0.33 H new ATOM 0 HD12 ILE A 61 -6.638 6.559 -6.896 1.00 0.33 H new ATOM 0 HD13 ILE A 61 -7.108 5.156 -5.908 1.00 0.33 H new ATOM 950 N PRO A 62 -1.648 5.205 -3.655 1.00 70.01 N ATOM 951 CA PRO A 62 -0.308 4.659 -3.885 1.00 65.25 C ATOM 952 C PRO A 62 -0.238 3.806 -5.148 1.00 34.45 C ATOM 953 O PRO A 62 -1.147 3.025 -5.431 1.00 42.32 O ATOM 954 CB PRO A 62 -0.056 3.800 -2.643 1.00 64.24 C ATOM 955 CG PRO A 62 -1.415 3.424 -2.162 1.00 41.41 C ATOM 956 CD PRO A 62 -2.308 4.588 -2.492 1.00 34.22 C ATOM 0 HA PRO A 62 0.432 5.445 -4.033 1.00 65.25 H new ATOM 0 HB2 PRO A 62 0.537 2.918 -2.885 1.00 64.24 H new ATOM 0 HB3 PRO A 62 0.494 4.355 -1.883 1.00 64.24 H new ATOM 0 HG2 PRO A 62 -1.764 2.514 -2.650 1.00 41.41 H new ATOM 0 HG3 PRO A 62 -1.409 3.228 -1.090 1.00 41.41 H new ATOM 0 HD2 PRO A 62 -3.321 4.263 -2.730 1.00 34.22 H new ATOM 0 HD3 PRO A 62 -2.385 5.285 -1.657 1.00 34.22 H new ATOM 964 N ASP A 63 0.846 3.958 -5.900 1.00 30.03 N ATOM 965 CA ASP A 63 1.034 3.200 -7.131 1.00 43.13 C ATOM 966 C ASP A 63 1.236 1.717 -6.831 1.00 51.21 C ATOM 967 O ASP A 63 1.222 0.884 -7.736 1.00 23.03 O ATOM 968 CB ASP A 63 2.234 3.742 -7.910 1.00 75.43 C ATOM 969 CG ASP A 63 2.558 2.903 -9.131 1.00 0.23 C ATOM 970 OD1 ASP A 63 1.649 2.683 -9.959 1.00 41.21 O ATOM 971 OD2 ASP A 63 3.721 2.467 -9.258 1.00 64.23 O ATOM 0 H ASP A 63 1.608 4.599 -5.679 1.00 30.03 H new ATOM 0 HA ASP A 63 0.135 3.311 -7.738 1.00 43.13 H new ATOM 0 HB2 ASP A 63 2.029 4.767 -8.221 1.00 75.43 H new ATOM 0 HB3 ASP A 63 3.104 3.776 -7.254 1.00 75.43 H new ATOM 977 N GLU A 64 1.422 1.397 -5.554 1.00 40.41 N ATOM 978 CA GLU A 64 1.628 0.016 -5.136 1.00 4.20 C ATOM 979 C GLU A 64 0.316 -0.762 -5.165 1.00 32.35 C ATOM 980 O GLU A 64 0.288 -1.945 -5.503 1.00 44.13 O ATOM 981 CB GLU A 64 2.231 -0.031 -3.730 1.00 1.41 C ATOM 982 CG GLU A 64 3.404 0.916 -3.540 1.00 24.24 C ATOM 983 CD GLU A 64 4.081 0.743 -2.194 1.00 40.41 C ATOM 984 OE1 GLU A 64 3.463 0.134 -1.295 1.00 21.04 O ATOM 985 OE2 GLU A 64 5.226 1.217 -2.039 1.00 75.51 O ATOM 0 H GLU A 64 1.434 2.075 -4.792 1.00 40.41 H new ATOM 0 HA GLU A 64 2.322 -0.449 -5.836 1.00 4.20 H new ATOM 0 HB2 GLU A 64 1.456 0.213 -3.003 1.00 1.41 H new ATOM 0 HB3 GLU A 64 2.558 -1.049 -3.518 1.00 1.41 H new ATOM 0 HG2 GLU A 64 4.133 0.749 -4.333 1.00 24.24 H new ATOM 0 HG3 GLU A 64 3.056 1.944 -3.638 1.00 24.24 H new ATOM 993 N LYS A 65 -0.772 -0.089 -4.804 1.00 73.35 N ATOM 994 CA LYS A 65 -2.089 -0.715 -4.788 1.00 22.33 C ATOM 995 C LYS A 65 -2.810 -0.500 -6.115 1.00 13.32 C ATOM 996 O LYS A 65 -3.613 -1.332 -6.540 1.00 14.33 O ATOM 997 CB LYS A 65 -2.930 -0.150 -3.641 1.00 13.00 C ATOM 998 CG LYS A 65 -3.561 1.196 -3.955 1.00 21.12 C ATOM 999 CD LYS A 65 -4.243 1.789 -2.735 1.00 15.44 C ATOM 1000 CE LYS A 65 -5.367 0.896 -2.234 1.00 73.10 C ATOM 1001 NZ LYS A 65 -4.965 0.123 -1.027 1.00 34.24 N ATOM 0 H LYS A 65 -0.767 0.890 -4.519 1.00 73.35 H new ATOM 0 HA LYS A 65 -1.953 -1.786 -4.638 1.00 22.33 H new ATOM 0 HB2 LYS A 65 -3.717 -0.862 -3.394 1.00 13.00 H new ATOM 0 HB3 LYS A 65 -2.302 -0.050 -2.756 1.00 13.00 H new ATOM 0 HG2 LYS A 65 -2.795 1.883 -4.315 1.00 21.12 H new ATOM 0 HG3 LYS A 65 -4.288 1.080 -4.759 1.00 21.12 H new ATOM 0 HD2 LYS A 65 -3.510 1.932 -1.941 1.00 15.44 H new ATOM 0 HD3 LYS A 65 -4.642 2.773 -2.982 1.00 15.44 H new ATOM 0 HE2 LYS A 65 -6.239 1.507 -2.000 1.00 73.10 H new ATOM 0 HE3 LYS A 65 -5.663 0.207 -3.025 1.00 73.10 H new ATOM 0 HZ1 LYS A 65 -5.774 -0.435 -0.687 1.00 34.24 H new ATOM 0 HZ2 LYS A 65 -4.181 -0.516 -1.269 1.00 34.24 H new ATOM 0 HZ3 LYS A 65 -4.658 0.779 -0.281 1.00 34.24 H new ATOM 1015 N THR A 66 -2.517 0.620 -6.768 1.00 4.34 N ATOM 1016 CA THR A 66 -3.137 0.944 -8.047 1.00 25.44 C ATOM 1017 C THR A 66 -2.573 0.076 -9.166 1.00 22.10 C ATOM 1018 O THR A 66 -3.267 -0.232 -10.134 1.00 22.20 O ATOM 1019 CB THR A 66 -2.933 2.427 -8.410 1.00 23.40 C ATOM 1020 OG1 THR A 66 -3.525 3.262 -7.410 1.00 3.12 O ATOM 1021 CG2 THR A 66 -3.545 2.740 -9.767 1.00 42.51 C ATOM 0 H THR A 66 -1.854 1.318 -6.432 1.00 4.34 H new ATOM 0 HA THR A 66 -4.204 0.747 -7.941 1.00 25.44 H new ATOM 0 HB THR A 66 -1.862 2.623 -8.458 1.00 23.40 H new ATOM 0 HG1 THR A 66 -3.389 4.203 -7.647 1.00 3.12 H new ATOM 0 HG21 THR A 66 -3.389 3.793 -10.002 1.00 42.51 H new ATOM 0 HG22 THR A 66 -3.071 2.123 -10.531 1.00 42.51 H new ATOM 0 HG23 THR A 66 -4.614 2.529 -9.741 1.00 42.51 H new ATOM 1029 N MET A 67 -1.310 -0.315 -9.027 1.00 24.23 N ATOM 1030 CA MET A 67 -0.654 -1.150 -10.027 1.00 4.32 C ATOM 1031 C MET A 67 -1.508 -2.368 -10.361 1.00 64.42 C ATOM 1032 O MET A 67 -1.909 -2.579 -11.506 1.00 61.33 O ATOM 1033 CB MET A 67 0.720 -1.597 -9.526 1.00 3.43 C ATOM 1034 CG MET A 67 1.867 -0.760 -10.070 1.00 1.34 C ATOM 1035 SD MET A 67 2.484 -1.370 -11.651 1.00 13.34 S ATOM 1036 CE MET A 67 1.350 -0.574 -12.786 1.00 42.31 C ATOM 0 H MET A 67 -0.721 -0.067 -8.232 1.00 24.23 H new ATOM 0 HA MET A 67 -0.527 -0.558 -10.933 1.00 4.32 H new ATOM 0 HB2 MET A 67 0.733 -1.552 -8.437 1.00 3.43 H new ATOM 0 HB3 MET A 67 0.878 -2.639 -9.804 1.00 3.43 H new ATOM 0 HG2 MET A 67 1.535 0.271 -10.188 1.00 1.34 H new ATOM 0 HG3 MET A 67 2.681 -0.752 -9.345 1.00 1.34 H new ATOM 0 HE1 MET A 67 1.811 -0.503 -13.771 1.00 42.31 H new ATOM 0 HE2 MET A 67 0.434 -1.160 -12.855 1.00 42.31 H new ATOM 0 HE3 MET A 67 1.114 0.426 -12.423 1.00 42.31 H new ATOM 1046 N PRO A 68 -1.792 -3.192 -9.341 1.00 2.30 N ATOM 1047 CA PRO A 68 -2.600 -4.403 -9.504 1.00 21.45 C ATOM 1048 C PRO A 68 -4.065 -4.090 -9.786 1.00 75.05 C ATOM 1049 O PRO A 68 -4.827 -4.960 -10.208 1.00 34.31 O ATOM 1050 CB PRO A 68 -2.456 -5.110 -8.153 1.00 43.53 C ATOM 1051 CG PRO A 68 -2.148 -4.019 -7.187 1.00 3.14 C ATOM 1052 CD PRO A 68 -1.346 -3.003 -7.950 1.00 43.42 C ATOM 0 HA PRO A 68 -2.269 -5.002 -10.353 1.00 21.45 H new ATOM 0 HB2 PRO A 68 -3.372 -5.634 -7.880 1.00 43.53 H new ATOM 0 HB3 PRO A 68 -1.659 -5.854 -8.178 1.00 43.53 H new ATOM 0 HG2 PRO A 68 -3.063 -3.577 -6.793 1.00 3.14 H new ATOM 0 HG3 PRO A 68 -1.585 -4.400 -6.335 1.00 3.14 H new ATOM 0 HD2 PRO A 68 -1.542 -1.990 -7.599 1.00 43.42 H new ATOM 0 HD3 PRO A 68 -0.275 -3.175 -7.844 1.00 43.42 H new ATOM 1060 N VAL A 69 -4.454 -2.840 -9.552 1.00 45.43 N ATOM 1061 CA VAL A 69 -5.828 -2.411 -9.783 1.00 41.33 C ATOM 1062 C VAL A 69 -6.066 -2.099 -11.257 1.00 25.23 C ATOM 1063 O VAL A 69 -6.947 -2.681 -11.891 1.00 62.14 O ATOM 1064 CB VAL A 69 -6.175 -1.166 -8.944 1.00 74.34 C ATOM 1065 CG1 VAL A 69 -7.457 -0.523 -9.451 1.00 51.40 C ATOM 1066 CG2 VAL A 69 -6.299 -1.534 -7.473 1.00 61.14 C ATOM 0 H VAL A 69 -3.837 -2.107 -9.203 1.00 45.43 H new ATOM 0 HA VAL A 69 -6.473 -3.236 -9.480 1.00 41.33 H new ATOM 0 HB VAL A 69 -5.367 -0.441 -9.047 1.00 74.34 H new ATOM 0 HG11 VAL A 69 -7.687 0.355 -8.847 1.00 51.40 H new ATOM 0 HG12 VAL A 69 -7.327 -0.224 -10.491 1.00 51.40 H new ATOM 0 HG13 VAL A 69 -8.276 -1.238 -9.378 1.00 51.40 H new ATOM 0 HG21 VAL A 69 -6.544 -0.643 -6.895 1.00 61.14 H new ATOM 0 HG22 VAL A 69 -7.088 -2.276 -7.349 1.00 61.14 H new ATOM 0 HG23 VAL A 69 -5.354 -1.947 -7.120 1.00 61.14 H new ATOM 1076 N LEU A 70 -5.274 -1.179 -11.797 1.00 30.20 N ATOM 1077 CA LEU A 70 -5.397 -0.790 -13.198 1.00 34.04 C ATOM 1078 C LEU A 70 -5.236 -1.998 -14.114 1.00 61.22 C ATOM 1079 O LEU A 70 -5.984 -2.163 -15.077 1.00 63.04 O ATOM 1080 CB LEU A 70 -4.354 0.273 -13.546 1.00 21.25 C ATOM 1081 CG LEU A 70 -2.894 -0.182 -13.505 1.00 15.31 C ATOM 1082 CD1 LEU A 70 -2.442 -0.649 -14.880 1.00 60.23 C ATOM 1083 CD2 LEU A 70 -2.000 0.942 -13.000 1.00 61.53 C ATOM 0 H LEU A 70 -4.540 -0.689 -11.286 1.00 30.20 H new ATOM 0 HA LEU A 70 -6.393 -0.374 -13.349 1.00 34.04 H new ATOM 0 HB2 LEU A 70 -4.568 0.650 -14.546 1.00 21.25 H new ATOM 0 HB3 LEU A 70 -4.473 1.109 -12.857 1.00 21.25 H new ATOM 0 HG LEU A 70 -2.813 -1.022 -12.815 1.00 15.31 H new ATOM 0 HD11 LEU A 70 -1.401 -0.969 -14.832 1.00 60.23 H new ATOM 0 HD12 LEU A 70 -3.064 -1.484 -15.203 1.00 60.23 H new ATOM 0 HD13 LEU A 70 -2.537 0.171 -15.592 1.00 60.23 H new ATOM 0 HD21 LEU A 70 -0.965 0.601 -12.977 1.00 61.53 H new ATOM 0 HD22 LEU A 70 -2.085 1.801 -13.666 1.00 61.53 H new ATOM 0 HD23 LEU A 70 -2.310 1.230 -11.995 1.00 61.53 H new ATOM 1095 N MET A 71 -4.256 -2.841 -13.806 1.00 65.23 N ATOM 1096 CA MET A 71 -3.998 -4.036 -14.601 1.00 2.10 C ATOM 1097 C MET A 71 -5.212 -4.960 -14.603 1.00 31.12 C ATOM 1098 O MET A 71 -5.388 -5.770 -15.513 1.00 24.31 O ATOM 1099 CB MET A 71 -2.776 -4.782 -14.061 1.00 14.34 C ATOM 1100 CG MET A 71 -3.068 -5.603 -12.815 1.00 60.20 C ATOM 1101 SD MET A 71 -1.726 -6.733 -12.399 1.00 32.40 S ATOM 1102 CE MET A 71 -2.528 -8.316 -12.643 1.00 3.12 C ATOM 0 H MET A 71 -3.628 -2.719 -13.012 1.00 65.23 H new ATOM 0 HA MET A 71 -3.799 -3.723 -15.626 1.00 2.10 H new ATOM 0 HB2 MET A 71 -2.390 -5.441 -14.838 1.00 14.34 H new ATOM 0 HB3 MET A 71 -1.990 -4.061 -13.835 1.00 14.34 H new ATOM 0 HG2 MET A 71 -3.246 -4.931 -11.975 1.00 60.20 H new ATOM 0 HG3 MET A 71 -3.984 -6.173 -12.967 1.00 60.20 H new ATOM 0 HE1 MET A 71 -1.823 -9.118 -12.424 1.00 3.12 H new ATOM 0 HE2 MET A 71 -3.387 -8.395 -11.976 1.00 3.12 H new ATOM 0 HE3 MET A 71 -2.862 -8.399 -13.677 1.00 3.12 H new ATOM 1112 N LYS A 72 -6.048 -4.833 -13.578 1.00 61.01 N ATOM 1113 CA LYS A 72 -7.246 -5.655 -13.461 1.00 22.22 C ATOM 1114 C LYS A 72 -8.315 -5.203 -14.451 1.00 14.04 C ATOM 1115 O LYS A 72 -9.121 -6.008 -14.920 1.00 43.51 O ATOM 1116 CB LYS A 72 -7.797 -5.590 -12.035 1.00 21.33 C ATOM 1117 CG LYS A 72 -8.731 -6.738 -11.690 1.00 42.34 C ATOM 1118 CD LYS A 72 -7.964 -7.951 -11.193 1.00 30.24 C ATOM 1119 CE LYS A 72 -7.567 -8.869 -12.340 1.00 13.14 C ATOM 1120 NZ LYS A 72 -7.271 -10.250 -11.868 1.00 31.22 N ATOM 0 H LYS A 72 -5.917 -4.168 -12.816 1.00 61.01 H new ATOM 0 HA LYS A 72 -6.973 -6.685 -13.692 1.00 22.22 H new ATOM 0 HB2 LYS A 72 -6.964 -5.587 -11.332 1.00 21.33 H new ATOM 0 HB3 LYS A 72 -8.329 -4.648 -11.903 1.00 21.33 H new ATOM 0 HG2 LYS A 72 -9.438 -6.416 -10.926 1.00 42.34 H new ATOM 0 HG3 LYS A 72 -9.314 -7.011 -12.570 1.00 42.34 H new ATOM 0 HD2 LYS A 72 -7.070 -7.625 -10.661 1.00 30.24 H new ATOM 0 HD3 LYS A 72 -8.576 -8.503 -10.480 1.00 30.24 H new ATOM 0 HE2 LYS A 72 -8.372 -8.901 -13.075 1.00 13.14 H new ATOM 0 HE3 LYS A 72 -6.691 -8.462 -12.844 1.00 13.14 H new ATOM 0 HZ1 LYS A 72 -7.005 -10.844 -12.679 1.00 31.22 H new ATOM 0 HZ2 LYS A 72 -6.486 -10.223 -11.186 1.00 31.22 H new ATOM 0 HZ3 LYS A 72 -8.115 -10.648 -11.409 1.00 31.22 H new ATOM 1134 N LEU A 73 -8.315 -3.912 -14.765 1.00 73.12 N ATOM 1135 CA LEU A 73 -9.285 -3.353 -15.701 1.00 54.40 C ATOM 1136 C LEU A 73 -8.978 -3.791 -17.129 1.00 72.53 C ATOM 1137 O LEU A 73 -9.859 -4.268 -17.846 1.00 74.00 O ATOM 1138 CB LEU A 73 -9.286 -1.826 -15.613 1.00 62.00 C ATOM 1139 CG LEU A 73 -9.090 -1.233 -14.217 1.00 61.52 C ATOM 1140 CD1 LEU A 73 -9.212 0.282 -14.259 1.00 31.31 C ATOM 1141 CD2 LEU A 73 -10.098 -1.825 -13.241 1.00 43.53 C ATOM 0 H LEU A 73 -7.655 -3.233 -14.386 1.00 73.12 H new ATOM 0 HA LEU A 73 -10.272 -3.727 -15.430 1.00 54.40 H new ATOM 0 HB2 LEU A 73 -8.498 -1.444 -16.262 1.00 62.00 H new ATOM 0 HB3 LEU A 73 -10.232 -1.460 -16.012 1.00 62.00 H new ATOM 0 HG LEU A 73 -8.088 -1.486 -13.872 1.00 61.52 H new ATOM 0 HD11 LEU A 73 -9.070 0.686 -13.257 1.00 31.31 H new ATOM 0 HD12 LEU A 73 -8.453 0.690 -14.926 1.00 31.31 H new ATOM 0 HD13 LEU A 73 -10.201 0.557 -14.624 1.00 31.31 H new ATOM 0 HD21 LEU A 73 -9.945 -1.392 -12.252 1.00 43.53 H new ATOM 0 HD22 LEU A 73 -11.109 -1.602 -13.582 1.00 43.53 H new ATOM 0 HD23 LEU A 73 -9.963 -2.905 -13.189 1.00 43.53 H new ATOM 1153 N LEU A 74 -7.725 -3.631 -17.535 1.00 42.43 N ATOM 1154 CA LEU A 74 -7.301 -4.013 -18.878 1.00 3.45 C ATOM 1155 C LEU A 74 -7.473 -5.512 -19.098 1.00 23.14 C ATOM 1156 O LEU A 74 -7.602 -5.972 -20.231 1.00 41.44 O ATOM 1157 CB LEU A 74 -5.841 -3.617 -19.105 1.00 3.35 C ATOM 1158 CG LEU A 74 -5.570 -2.122 -19.283 1.00 33.25 C ATOM 1159 CD1 LEU A 74 -6.474 -1.540 -20.358 1.00 64.54 C ATOM 1160 CD2 LEU A 74 -5.763 -1.385 -17.965 1.00 44.20 C ATOM 0 H LEU A 74 -6.984 -3.239 -16.954 1.00 42.43 H new ATOM 0 HA LEU A 74 -7.930 -3.485 -19.595 1.00 3.45 H new ATOM 0 HB2 LEU A 74 -5.253 -3.974 -18.260 1.00 3.35 H new ATOM 0 HB3 LEU A 74 -5.477 -4.140 -19.990 1.00 3.35 H new ATOM 0 HG LEU A 74 -4.535 -1.995 -19.600 1.00 33.25 H new ATOM 0 HD11 LEU A 74 -6.267 -0.476 -20.471 1.00 64.54 H new ATOM 0 HD12 LEU A 74 -6.288 -2.048 -21.304 1.00 64.54 H new ATOM 0 HD13 LEU A 74 -7.516 -1.678 -20.071 1.00 64.54 H new ATOM 0 HD21 LEU A 74 -5.566 -0.323 -18.110 1.00 44.20 H new ATOM 0 HD22 LEU A 74 -6.788 -1.520 -17.619 1.00 44.20 H new ATOM 0 HD23 LEU A 74 -5.073 -1.784 -17.221 1.00 44.20 H new ATOM 1172 N GLU A 75 -7.475 -6.268 -18.005 1.00 22.41 N ATOM 1173 CA GLU A 75 -7.633 -7.716 -18.079 1.00 65.41 C ATOM 1174 C GLU A 75 -8.952 -8.086 -18.749 1.00 54.31 C ATOM 1175 O GLU A 75 -8.977 -8.845 -19.716 1.00 75.45 O ATOM 1176 CB GLU A 75 -7.568 -8.332 -16.679 1.00 40.31 C ATOM 1177 CG GLU A 75 -6.220 -8.950 -16.347 1.00 13.40 C ATOM 1178 CD GLU A 75 -5.938 -10.201 -17.156 1.00 5.01 C ATOM 1179 OE1 GLU A 75 -6.775 -11.128 -17.126 1.00 4.44 O ATOM 1180 OE2 GLU A 75 -4.879 -10.254 -17.818 1.00 54.23 O ATOM 0 H GLU A 75 -7.369 -5.903 -17.059 1.00 22.41 H new ATOM 0 HA GLU A 75 -6.816 -8.114 -18.681 1.00 65.41 H new ATOM 0 HB2 GLU A 75 -7.797 -7.562 -15.942 1.00 40.31 H new ATOM 0 HB3 GLU A 75 -8.340 -9.097 -16.592 1.00 40.31 H new ATOM 0 HG2 GLU A 75 -5.434 -8.218 -16.531 1.00 13.40 H new ATOM 0 HG3 GLU A 75 -6.187 -9.193 -15.285 1.00 13.40 H new ATOM 1188 N GLU A 76 -10.047 -7.543 -18.225 1.00 73.31 N ATOM 1189 CA GLU A 76 -11.371 -7.817 -18.771 1.00 33.13 C ATOM 1190 C GLU A 76 -11.610 -7.017 -20.048 1.00 64.52 C ATOM 1191 O GLU A 76 -12.328 -7.458 -20.945 1.00 14.23 O ATOM 1192 CB GLU A 76 -12.452 -7.485 -17.739 1.00 40.34 C ATOM 1193 CG GLU A 76 -12.247 -8.174 -16.401 1.00 75.31 C ATOM 1194 CD GLU A 76 -12.636 -9.640 -16.433 1.00 11.43 C ATOM 1195 OE1 GLU A 76 -13.831 -9.931 -16.652 1.00 24.12 O ATOM 1196 OE2 GLU A 76 -11.746 -10.494 -16.240 1.00 15.24 O ATOM 0 H GLU A 76 -10.043 -6.912 -17.424 1.00 73.31 H new ATOM 0 HA GLU A 76 -11.423 -8.879 -19.013 1.00 33.13 H new ATOM 0 HB2 GLU A 76 -12.475 -6.406 -17.583 1.00 40.34 H new ATOM 0 HB3 GLU A 76 -13.425 -7.770 -18.140 1.00 40.34 H new ATOM 0 HG2 GLU A 76 -11.201 -8.086 -16.108 1.00 75.31 H new ATOM 0 HG3 GLU A 76 -12.835 -7.662 -15.639 1.00 75.31 H new ATOM 1204 N ALA A 77 -11.000 -5.839 -20.124 1.00 10.53 N ATOM 1205 CA ALA A 77 -11.144 -4.977 -21.291 1.00 31.12 C ATOM 1206 C ALA A 77 -10.162 -5.373 -22.389 1.00 75.23 C ATOM 1207 O ALA A 77 -10.077 -4.715 -23.424 1.00 63.55 O ATOM 1208 CB ALA A 77 -10.942 -3.521 -20.899 1.00 61.34 C ATOM 0 H ALA A 77 -10.401 -5.459 -19.391 1.00 10.53 H new ATOM 0 HA ALA A 77 -12.154 -5.100 -21.681 1.00 31.12 H new ATOM 0 HB1 ALA A 77 -11.052 -2.888 -21.780 1.00 61.34 H new ATOM 0 HB2 ALA A 77 -11.686 -3.238 -20.154 1.00 61.34 H new ATOM 0 HB3 ALA A 77 -9.943 -3.392 -20.482 1.00 61.34 H new ATOM 1214 N GLY A 78 -9.423 -6.453 -22.155 1.00 11.32 N ATOM 1215 CA GLY A 78 -8.456 -6.917 -23.133 1.00 54.24 C ATOM 1216 C GLY A 78 -7.474 -5.836 -23.535 1.00 44.50 C ATOM 1217 O GLY A 78 -6.893 -5.886 -24.619 1.00 33.44 O ATOM 0 H GLY A 78 -9.477 -7.015 -21.306 1.00 11.32 H new ATOM 0 HA2 GLY A 78 -7.909 -7.766 -22.724 1.00 54.24 H new ATOM 0 HA3 GLY A 78 -8.982 -7.273 -24.019 1.00 54.24 H new ATOM 1221 N GLY A 79 -7.287 -4.852 -22.660 1.00 52.43 N ATOM 1222 CA GLY A 79 -6.368 -3.766 -22.949 1.00 53.24 C ATOM 1223 C GLY A 79 -7.043 -2.611 -23.662 1.00 4.22 C ATOM 1224 O GLY A 79 -6.479 -2.032 -24.590 1.00 50.11 O ATOM 0 H GLY A 79 -7.756 -4.788 -21.756 1.00 52.43 H new ATOM 0 HA2 GLY A 79 -5.929 -3.408 -22.018 1.00 53.24 H new ATOM 0 HA3 GLY A 79 -5.550 -4.140 -23.564 1.00 53.24 H new ATOM 1228 N ASN A 80 -8.254 -2.275 -23.229 1.00 25.21 N ATOM 1229 CA ASN A 80 -9.005 -1.182 -23.835 1.00 33.42 C ATOM 1230 C ASN A 80 -9.226 -0.052 -22.833 1.00 21.12 C ATOM 1231 O ASN A 80 -10.048 -0.166 -21.925 1.00 31.42 O ATOM 1232 CB ASN A 80 -10.354 -1.689 -24.353 1.00 22.04 C ATOM 1233 CG ASN A 80 -10.794 -0.973 -25.614 1.00 64.15 C ATOM 1234 OD1 ASN A 80 -11.141 0.302 -25.482 1.00 60.01 O flip ATOM 1235 ND2 ASN A 80 -10.821 -1.561 -26.697 1.00 21.51 N flip ATOM 0 H ASN A 80 -8.736 -2.744 -22.462 1.00 25.21 H new ATOM 0 HA ASN A 80 -8.423 -0.794 -24.671 1.00 33.42 H new ATOM 0 HB2 ASN A 80 -10.286 -2.759 -24.551 1.00 22.04 H new ATOM 0 HB3 ASN A 80 -11.111 -1.556 -23.580 1.00 22.04 H new ATOM 0 HD21 ASN A 80 -10.546 -2.542 -26.752 1.00 21.51 H new ATOM 0 HD22 ASN A 80 -11.119 -1.067 -27.538 1.00 21.51 H new ATOM 1242 N TRP A 81 -8.485 1.036 -23.006 1.00 41.25 N ATOM 1243 CA TRP A 81 -8.599 2.188 -22.118 1.00 64.42 C ATOM 1244 C TRP A 81 -9.766 3.078 -22.529 1.00 54.42 C ATOM 1245 O TRP A 81 -10.268 3.868 -21.728 1.00 44.21 O ATOM 1246 CB TRP A 81 -7.299 2.994 -22.125 1.00 12.00 C ATOM 1247 CG TRP A 81 -6.117 2.218 -21.630 1.00 4.12 C ATOM 1248 CD1 TRP A 81 -5.377 1.312 -22.335 1.00 43.43 C ATOM 1249 CD2 TRP A 81 -5.538 2.279 -20.321 1.00 75.45 C ATOM 1250 NE1 TRP A 81 -4.374 0.806 -21.544 1.00 11.45 N ATOM 1251 CE2 TRP A 81 -4.451 1.383 -20.304 1.00 11.11 C ATOM 1252 CE3 TRP A 81 -5.832 3.004 -19.164 1.00 34.21 C ATOM 1253 CZ2 TRP A 81 -3.660 1.195 -19.174 1.00 30.41 C ATOM 1254 CZ3 TRP A 81 -5.047 2.815 -18.042 1.00 51.03 C ATOM 1255 CH2 TRP A 81 -3.972 1.917 -18.054 1.00 4.21 C ATOM 0 H TRP A 81 -7.799 1.145 -23.753 1.00 41.25 H new ATOM 0 HA TRP A 81 -8.785 1.821 -21.109 1.00 64.42 H new ATOM 0 HB2 TRP A 81 -7.099 3.339 -23.139 1.00 12.00 H new ATOM 0 HB3 TRP A 81 -7.427 3.882 -21.506 1.00 12.00 H new ATOM 0 HD1 TRP A 81 -5.554 1.034 -23.363 1.00 43.43 H new ATOM 0 HE1 TRP A 81 -3.684 0.113 -21.833 1.00 11.45 H new ATOM 0 HE3 TRP A 81 -6.658 3.700 -19.146 1.00 34.21 H new ATOM 0 HZ2 TRP A 81 -2.830 0.504 -19.181 1.00 30.41 H new ATOM 0 HZ3 TRP A 81 -5.266 3.369 -17.141 1.00 51.03 H new ATOM 0 HH2 TRP A 81 -3.377 1.792 -17.161 1.00 4.21 H new ATOM 1266 N SER A 82 -10.196 2.945 -23.780 1.00 22.23 N ATOM 1267 CA SER A 82 -11.302 3.741 -24.296 1.00 60.33 C ATOM 1268 C SER A 82 -12.522 3.631 -23.387 1.00 60.41 C ATOM 1269 O SER A 82 -13.075 4.639 -22.947 1.00 14.11 O ATOM 1270 CB SER A 82 -11.666 3.289 -25.712 1.00 43.34 C ATOM 1271 OG SER A 82 -12.318 4.325 -26.427 1.00 20.44 O ATOM 0 H SER A 82 -9.795 2.293 -24.454 1.00 22.23 H new ATOM 0 HA SER A 82 -10.984 4.783 -24.324 1.00 60.33 H new ATOM 0 HB2 SER A 82 -10.764 2.988 -26.244 1.00 43.34 H new ATOM 0 HB3 SER A 82 -12.314 2.414 -25.662 1.00 43.34 H new ATOM 0 HG SER A 82 -12.538 4.011 -27.329 1.00 20.44 H new ATOM 1277 N TYR A 83 -12.935 2.400 -23.109 1.00 74.43 N ATOM 1278 CA TYR A 83 -14.091 2.156 -22.254 1.00 50.14 C ATOM 1279 C TYR A 83 -13.739 2.377 -20.786 1.00 11.51 C ATOM 1280 O TYR A 83 -14.495 3.005 -20.043 1.00 72.21 O ATOM 1281 CB TYR A 83 -14.611 0.732 -22.455 1.00 45.22 C ATOM 1282 CG TYR A 83 -15.453 0.225 -21.306 1.00 44.43 C ATOM 1283 CD1 TYR A 83 -16.828 0.419 -21.289 1.00 32.03 C ATOM 1284 CD2 TYR A 83 -14.871 -0.445 -20.237 1.00 73.32 C ATOM 1285 CE1 TYR A 83 -17.601 -0.042 -20.240 1.00 53.53 C ATOM 1286 CE2 TYR A 83 -15.637 -0.911 -19.185 1.00 43.31 C ATOM 1287 CZ TYR A 83 -17.001 -0.705 -19.192 1.00 20.44 C ATOM 1288 OH TYR A 83 -17.767 -1.166 -18.144 1.00 64.04 O ATOM 0 H TYR A 83 -12.487 1.555 -23.463 1.00 74.43 H new ATOM 0 HA TYR A 83 -14.872 2.863 -22.533 1.00 50.14 H new ATOM 0 HB2 TYR A 83 -15.202 0.696 -23.370 1.00 45.22 H new ATOM 0 HB3 TYR A 83 -13.763 0.062 -22.596 1.00 45.22 H new ATOM 0 HD1 TYR A 83 -17.301 0.939 -22.109 1.00 32.03 H new ATOM 0 HD2 TYR A 83 -13.803 -0.604 -20.228 1.00 73.32 H new ATOM 0 HE1 TYR A 83 -18.669 0.117 -20.242 1.00 53.53 H new ATOM 0 HE2 TYR A 83 -15.171 -1.433 -18.363 1.00 43.31 H new ATOM 0 HH TYR A 83 -17.191 -1.612 -17.489 1.00 64.04 H new ATOM 1298 N ILE A 84 -12.586 1.860 -20.376 1.00 61.23 N ATOM 1299 CA ILE A 84 -12.132 2.002 -18.999 1.00 31.21 C ATOM 1300 C ILE A 84 -12.059 3.470 -18.593 1.00 60.40 C ATOM 1301 O ILE A 84 -12.274 3.816 -17.431 1.00 33.43 O ATOM 1302 CB ILE A 84 -10.750 1.354 -18.792 1.00 51.44 C ATOM 1303 CG1 ILE A 84 -10.831 -0.156 -19.021 1.00 13.14 C ATOM 1304 CG2 ILE A 84 -10.227 1.657 -17.396 1.00 11.44 C ATOM 1305 CD1 ILE A 84 -9.484 -0.845 -18.983 1.00 74.13 C ATOM 0 H ILE A 84 -11.949 1.339 -20.978 1.00 61.23 H new ATOM 0 HA ILE A 84 -12.862 1.490 -18.372 1.00 31.21 H new ATOM 0 HB ILE A 84 -10.055 1.775 -19.518 1.00 51.44 H new ATOM 0 HG12 ILE A 84 -11.477 -0.597 -18.262 1.00 13.14 H new ATOM 0 HG13 ILE A 84 -11.300 -0.344 -19.987 1.00 13.14 H new ATOM 0 HG21 ILE A 84 -9.250 1.192 -17.265 1.00 11.44 H new ATOM 0 HG22 ILE A 84 -10.136 2.736 -17.268 1.00 11.44 H new ATOM 0 HG23 ILE A 84 -10.920 1.260 -16.654 1.00 11.44 H new ATOM 0 HD11 ILE A 84 -9.617 -1.913 -19.153 1.00 74.13 H new ATOM 0 HD12 ILE A 84 -8.842 -0.431 -19.760 1.00 74.13 H new ATOM 0 HD13 ILE A 84 -9.022 -0.687 -18.008 1.00 74.13 H new ATOM 1317 N LYS A 85 -11.756 4.331 -19.558 1.00 53.24 N ATOM 1318 CA LYS A 85 -11.658 5.763 -19.304 1.00 75.11 C ATOM 1319 C LYS A 85 -12.990 6.456 -19.573 1.00 50.21 C ATOM 1320 O LYS A 85 -13.169 7.630 -19.245 1.00 4.41 O ATOM 1321 CB LYS A 85 -10.563 6.383 -20.175 1.00 61.11 C ATOM 1322 CG LYS A 85 -11.069 6.903 -21.509 1.00 53.25 C ATOM 1323 CD LYS A 85 -9.995 6.826 -22.581 1.00 72.31 C ATOM 1324 CE LYS A 85 -8.684 7.428 -22.100 1.00 44.12 C ATOM 1325 NZ LYS A 85 -8.871 8.801 -21.555 1.00 15.20 N ATOM 0 H LYS A 85 -11.574 4.061 -20.525 1.00 53.24 H new ATOM 0 HA LYS A 85 -11.401 5.903 -18.254 1.00 75.11 H new ATOM 0 HB2 LYS A 85 -10.096 7.202 -19.629 1.00 61.11 H new ATOM 0 HB3 LYS A 85 -9.788 5.638 -20.355 1.00 61.11 H new ATOM 0 HG2 LYS A 85 -11.938 6.323 -21.821 1.00 53.25 H new ATOM 0 HG3 LYS A 85 -11.399 7.936 -21.397 1.00 53.25 H new ATOM 0 HD2 LYS A 85 -9.836 5.786 -22.865 1.00 72.31 H new ATOM 0 HD3 LYS A 85 -10.332 7.352 -23.474 1.00 72.31 H new ATOM 0 HE2 LYS A 85 -8.251 6.788 -21.331 1.00 44.12 H new ATOM 0 HE3 LYS A 85 -7.974 7.459 -22.926 1.00 44.12 H new ATOM 0 HZ1 LYS A 85 -8.063 9.396 -21.828 1.00 15.20 H new ATOM 0 HZ2 LYS A 85 -9.747 9.210 -21.938 1.00 15.20 H new ATOM 0 HZ3 LYS A 85 -8.934 8.757 -20.518 1.00 15.20 H new ATOM 1339 N LEU A 86 -13.922 5.723 -20.172 1.00 11.21 N ATOM 1340 CA LEU A 86 -15.239 6.268 -20.484 1.00 74.23 C ATOM 1341 C LEU A 86 -15.871 6.907 -19.252 1.00 11.54 C ATOM 1342 O LEU A 86 -16.649 7.855 -19.362 1.00 13.24 O ATOM 1343 CB LEU A 86 -16.152 5.167 -21.025 1.00 74.32 C ATOM 1344 CG LEU A 86 -17.202 5.607 -22.048 1.00 34.34 C ATOM 1345 CD1 LEU A 86 -18.198 6.563 -21.411 1.00 1.44 C ATOM 1346 CD2 LEU A 86 -16.534 6.251 -23.253 1.00 55.12 C ATOM 0 H LEU A 86 -13.791 4.751 -20.451 1.00 11.21 H new ATOM 0 HA LEU A 86 -15.115 7.037 -21.246 1.00 74.23 H new ATOM 0 HB2 LEU A 86 -15.529 4.398 -21.482 1.00 74.32 H new ATOM 0 HB3 LEU A 86 -16.666 4.703 -20.183 1.00 74.32 H new ATOM 0 HG LEU A 86 -17.744 4.725 -22.388 1.00 34.34 H new ATOM 0 HD11 LEU A 86 -18.937 6.866 -22.153 1.00 1.44 H new ATOM 0 HD12 LEU A 86 -18.699 6.066 -20.581 1.00 1.44 H new ATOM 0 HD13 LEU A 86 -17.672 7.444 -21.042 1.00 1.44 H new ATOM 0 HD21 LEU A 86 -17.295 6.558 -23.970 1.00 55.12 H new ATOM 0 HD22 LEU A 86 -15.966 7.124 -22.931 1.00 55.12 H new ATOM 0 HD23 LEU A 86 -15.861 5.534 -23.723 1.00 55.12 H new ATOM 1358 N ASP A 87 -15.529 6.385 -18.079 1.00 24.44 N ATOM 1359 CA ASP A 87 -16.059 6.906 -16.825 1.00 71.31 C ATOM 1360 C ASP A 87 -14.941 7.475 -15.957 1.00 60.41 C ATOM 1361 O ASP A 87 -15.074 7.564 -14.737 1.00 54.41 O ATOM 1362 CB ASP A 87 -16.803 5.807 -16.065 1.00 75.34 C ATOM 1363 CG ASP A 87 -17.643 4.938 -16.980 1.00 34.12 C ATOM 1364 OD1 ASP A 87 -17.413 3.710 -17.008 1.00 15.31 O ATOM 1365 OD2 ASP A 87 -18.531 5.484 -17.666 1.00 41.15 O ATOM 0 H ASP A 87 -14.886 5.600 -17.971 1.00 24.44 H new ATOM 0 HA ASP A 87 -16.757 7.710 -17.060 1.00 71.31 H new ATOM 0 HB2 ASP A 87 -16.082 5.183 -15.537 1.00 75.34 H new ATOM 0 HB3 ASP A 87 -17.445 6.262 -15.310 1.00 75.34 H new ATOM 1371 N ASN A 88 -13.839 7.855 -16.595 1.00 2.22 N ATOM 1372 CA ASN A 88 -12.697 8.413 -15.880 1.00 0.22 C ATOM 1373 C ASN A 88 -12.054 7.365 -14.977 1.00 64.25 C ATOM 1374 O ASN A 88 -11.654 7.661 -13.851 1.00 63.31 O ATOM 1375 CB ASN A 88 -13.130 9.622 -15.048 1.00 54.45 C ATOM 1376 CG ASN A 88 -12.103 10.737 -15.070 1.00 13.44 C ATOM 1377 OD1 ASN A 88 -10.837 10.379 -14.889 1.00 71.22 O flip ATOM 1378 ND2 ASN A 88 -12.444 11.907 -15.247 1.00 13.52 N flip ATOM 0 H ASN A 88 -13.713 7.787 -17.605 1.00 2.22 H new ATOM 0 HA ASN A 88 -11.961 8.732 -16.617 1.00 0.22 H new ATOM 0 HB2 ASN A 88 -14.080 9.999 -15.427 1.00 54.45 H new ATOM 0 HB3 ASN A 88 -13.300 9.309 -14.018 1.00 54.45 H new ATOM 0 HD21 ASN A 88 -13.429 12.136 -15.382 1.00 13.52 H new ATOM 0 HD22 ASN A 88 -11.742 12.647 -15.259 1.00 13.52 H new ATOM 1385 N TYR A 89 -11.957 6.138 -15.481 1.00 55.41 N ATOM 1386 CA TYR A 89 -11.365 5.045 -14.720 1.00 72.31 C ATOM 1387 C TYR A 89 -12.152 4.783 -13.440 1.00 34.31 C ATOM 1388 O TYR A 89 -11.575 4.530 -12.381 1.00 52.41 O ATOM 1389 CB TYR A 89 -9.908 5.363 -14.379 1.00 72.24 C ATOM 1390 CG TYR A 89 -9.054 5.661 -15.591 1.00 54.41 C ATOM 1391 CD1 TYR A 89 -9.314 5.055 -16.815 1.00 31.12 C ATOM 1392 CD2 TYR A 89 -7.989 6.550 -15.514 1.00 12.13 C ATOM 1393 CE1 TYR A 89 -8.536 5.323 -17.924 1.00 42.01 C ATOM 1394 CE2 TYR A 89 -7.206 6.826 -16.618 1.00 74.30 C ATOM 1395 CZ TYR A 89 -7.484 6.209 -17.821 1.00 10.34 C ATOM 1396 OH TYR A 89 -6.708 6.481 -18.924 1.00 24.35 O ATOM 0 H TYR A 89 -12.281 5.877 -16.412 1.00 55.41 H new ATOM 0 HA TYR A 89 -11.400 4.147 -15.337 1.00 72.31 H new ATOM 0 HB2 TYR A 89 -9.880 6.220 -13.706 1.00 72.24 H new ATOM 0 HB3 TYR A 89 -9.477 4.519 -13.840 1.00 72.24 H new ATOM 0 HD1 TYR A 89 -10.139 4.363 -16.900 1.00 31.12 H new ATOM 0 HD2 TYR A 89 -7.769 7.034 -14.574 1.00 12.13 H new ATOM 0 HE1 TYR A 89 -8.750 4.842 -18.867 1.00 42.01 H new ATOM 0 HE2 TYR A 89 -6.382 7.520 -16.540 1.00 74.30 H new ATOM 0 HH TYR A 89 -6.285 5.655 -19.238 1.00 24.35 H new ATOM 1406 N THR A 90 -13.477 4.844 -13.544 1.00 12.43 N ATOM 1407 CA THR A 90 -14.345 4.614 -12.396 1.00 42.15 C ATOM 1408 C THR A 90 -13.991 3.309 -11.692 1.00 40.10 C ATOM 1409 O THR A 90 -14.127 3.194 -10.474 1.00 21.01 O ATOM 1410 CB THR A 90 -15.828 4.574 -12.812 1.00 42.34 C ATOM 1411 OG1 THR A 90 -16.257 5.878 -13.221 1.00 31.43 O ATOM 1412 CG2 THR A 90 -16.699 4.083 -11.666 1.00 44.32 C ATOM 0 H THR A 90 -13.971 5.051 -14.412 1.00 12.43 H new ATOM 0 HA THR A 90 -14.190 5.447 -11.710 1.00 42.15 H new ATOM 0 HB THR A 90 -15.930 3.880 -13.647 1.00 42.34 H new ATOM 0 HG1 THR A 90 -15.513 6.346 -13.655 1.00 31.43 H new ATOM 0 HG21 THR A 90 -17.741 4.063 -11.984 1.00 44.32 H new ATOM 0 HG22 THR A 90 -16.389 3.079 -11.378 1.00 44.32 H new ATOM 0 HG23 THR A 90 -16.592 4.754 -10.814 1.00 44.32 H new ATOM 1420 N ALA A 91 -13.537 2.329 -12.465 1.00 25.33 N ATOM 1421 CA ALA A 91 -13.161 1.033 -11.914 1.00 5.35 C ATOM 1422 C ALA A 91 -12.161 1.190 -10.773 1.00 54.31 C ATOM 1423 O ALA A 91 -12.201 0.447 -9.792 1.00 44.34 O ATOM 1424 CB ALA A 91 -12.584 0.143 -13.005 1.00 4.04 C ATOM 0 H ALA A 91 -13.420 2.408 -13.475 1.00 25.33 H new ATOM 0 HA ALA A 91 -14.059 0.562 -11.513 1.00 5.35 H new ATOM 0 HB1 ALA A 91 -12.307 -0.822 -12.579 1.00 4.04 H new ATOM 0 HB2 ALA A 91 -13.330 -0.005 -13.786 1.00 4.04 H new ATOM 0 HB3 ALA A 91 -11.701 0.618 -13.432 1.00 4.04 H new ATOM 1430 N LEU A 92 -11.266 2.162 -10.908 1.00 23.23 N ATOM 1431 CA LEU A 92 -10.254 2.417 -9.888 1.00 40.23 C ATOM 1432 C LEU A 92 -10.895 2.929 -8.602 1.00 65.32 C ATOM 1433 O LEU A 92 -10.421 2.640 -7.503 1.00 73.54 O ATOM 1434 CB LEU A 92 -9.229 3.431 -10.400 1.00 12.43 C ATOM 1435 CG LEU A 92 -9.601 4.905 -10.230 1.00 73.31 C ATOM 1436 CD1 LEU A 92 -9.142 5.418 -8.873 1.00 62.33 C ATOM 1437 CD2 LEU A 92 -8.998 5.740 -11.351 1.00 21.35 C ATOM 0 H LEU A 92 -11.220 2.786 -11.713 1.00 23.23 H new ATOM 0 HA LEU A 92 -9.747 1.477 -9.670 1.00 40.23 H new ATOM 0 HB2 LEU A 92 -8.284 3.254 -9.886 1.00 12.43 H new ATOM 0 HB3 LEU A 92 -9.057 3.240 -11.459 1.00 12.43 H new ATOM 0 HG LEU A 92 -10.686 4.995 -10.281 1.00 73.31 H new ATOM 0 HD11 LEU A 92 -9.415 6.468 -8.770 1.00 62.33 H new ATOM 0 HD12 LEU A 92 -9.622 4.839 -8.084 1.00 62.33 H new ATOM 0 HD13 LEU A 92 -8.060 5.315 -8.792 1.00 62.33 H new ATOM 0 HD21 LEU A 92 -9.273 6.786 -11.214 1.00 21.35 H new ATOM 0 HD22 LEU A 92 -7.912 5.645 -11.332 1.00 21.35 H new ATOM 0 HD23 LEU A 92 -9.376 5.388 -12.311 1.00 21.35 H new ATOM 1449 N VAL A 93 -11.975 3.690 -8.747 1.00 64.10 N ATOM 1450 CA VAL A 93 -12.682 4.239 -7.597 1.00 15.22 C ATOM 1451 C VAL A 93 -13.298 3.131 -6.750 1.00 25.25 C ATOM 1452 O VAL A 93 -13.132 3.104 -5.530 1.00 40.13 O ATOM 1453 CB VAL A 93 -13.794 5.212 -8.034 1.00 40.34 C ATOM 1454 CG1 VAL A 93 -14.728 5.513 -6.873 1.00 33.22 C ATOM 1455 CG2 VAL A 93 -13.190 6.494 -8.589 1.00 73.43 C ATOM 0 H VAL A 93 -12.379 3.940 -9.650 1.00 64.10 H new ATOM 0 HA VAL A 93 -11.946 4.781 -7.003 1.00 15.22 H new ATOM 0 HB VAL A 93 -14.377 4.739 -8.824 1.00 40.34 H new ATOM 0 HG11 VAL A 93 -15.506 6.202 -7.201 1.00 33.22 H new ATOM 0 HG12 VAL A 93 -15.186 4.587 -6.525 1.00 33.22 H new ATOM 0 HG13 VAL A 93 -14.162 5.966 -6.059 1.00 33.22 H new ATOM 0 HG21 VAL A 93 -13.989 7.171 -8.893 1.00 73.43 H new ATOM 0 HG22 VAL A 93 -12.582 6.972 -7.821 1.00 73.43 H new ATOM 0 HG23 VAL A 93 -12.566 6.259 -9.451 1.00 73.43 H new ATOM 1465 N ASP A 94 -14.007 2.218 -7.404 1.00 33.01 N ATOM 1466 CA ASP A 94 -14.646 1.105 -6.710 1.00 55.13 C ATOM 1467 C ASP A 94 -13.616 0.057 -6.301 1.00 14.21 C ATOM 1468 O ASP A 94 -13.789 -0.639 -5.301 1.00 34.03 O ATOM 1469 CB ASP A 94 -15.715 0.469 -7.600 1.00 63.32 C ATOM 1470 CG ASP A 94 -16.727 -0.333 -6.806 1.00 62.13 C ATOM 1471 OD1 ASP A 94 -17.768 -0.714 -7.383 1.00 4.12 O ATOM 1472 OD2 ASP A 94 -16.479 -0.580 -5.608 1.00 1.24 O ATOM 0 H ASP A 94 -14.154 2.226 -8.413 1.00 33.01 H new ATOM 0 HA ASP A 94 -15.119 1.493 -5.808 1.00 55.13 H new ATOM 0 HB2 ASP A 94 -16.232 1.250 -8.157 1.00 63.32 H new ATOM 0 HB3 ASP A 94 -15.235 -0.180 -8.332 1.00 63.32 H new ATOM 1478 N ALA A 95 -12.546 -0.050 -7.081 1.00 24.24 N ATOM 1479 CA ALA A 95 -11.488 -1.012 -6.799 1.00 72.51 C ATOM 1480 C ALA A 95 -10.651 -0.572 -5.603 1.00 20.45 C ATOM 1481 O ALA A 95 -10.528 -1.300 -4.618 1.00 20.41 O ATOM 1482 CB ALA A 95 -10.606 -1.201 -8.024 1.00 12.04 C ATOM 0 H ALA A 95 -12.389 0.518 -7.914 1.00 24.24 H new ATOM 0 HA ALA A 95 -11.954 -1.966 -6.551 1.00 72.51 H new ATOM 0 HB1 ALA A 95 -9.820 -1.922 -7.799 1.00 12.04 H new ATOM 0 HB2 ALA A 95 -11.210 -1.569 -8.854 1.00 12.04 H new ATOM 0 HB3 ALA A 95 -10.155 -0.247 -8.299 1.00 12.04 H new ATOM 1488 N ILE A 96 -10.075 0.621 -5.697 1.00 53.30 N ATOM 1489 CA ILE A 96 -9.250 1.158 -4.621 1.00 64.45 C ATOM 1490 C ILE A 96 -10.038 1.258 -3.321 1.00 2.34 C ATOM 1491 O ILE A 96 -9.497 1.041 -2.236 1.00 43.50 O ATOM 1492 CB ILE A 96 -8.692 2.547 -4.980 1.00 41.33 C ATOM 1493 CG1 ILE A 96 -7.769 2.453 -6.197 1.00 10.30 C ATOM 1494 CG2 ILE A 96 -7.951 3.144 -3.792 1.00 75.35 C ATOM 1495 CD1 ILE A 96 -6.516 1.645 -5.943 1.00 64.22 C ATOM 0 H ILE A 96 -10.164 1.235 -6.507 1.00 53.30 H new ATOM 0 HA ILE A 96 -8.419 0.466 -4.485 1.00 64.45 H new ATOM 0 HB ILE A 96 -9.526 3.202 -5.230 1.00 41.33 H new ATOM 0 HG12 ILE A 96 -8.318 2.006 -7.026 1.00 10.30 H new ATOM 0 HG13 ILE A 96 -7.486 3.459 -6.507 1.00 10.30 H new ATOM 0 HG21 ILE A 96 -7.562 4.126 -4.062 1.00 75.35 H new ATOM 0 HG22 ILE A 96 -8.635 3.243 -2.949 1.00 75.35 H new ATOM 0 HG23 ILE A 96 -7.124 2.491 -3.513 1.00 75.35 H new ATOM 0 HD11 ILE A 96 -5.909 1.621 -6.848 1.00 64.22 H new ATOM 0 HD12 ILE A 96 -5.945 2.103 -5.135 1.00 64.22 H new ATOM 0 HD13 ILE A 96 -6.790 0.628 -5.662 1.00 64.22 H new ATOM 1507 N TYR A 97 -11.320 1.587 -3.437 1.00 12.30 N ATOM 1508 CA TYR A 97 -12.184 1.718 -2.269 1.00 43.45 C ATOM 1509 C TYR A 97 -12.266 0.402 -1.502 1.00 64.41 C ATOM 1510 O TYR A 97 -12.370 0.390 -0.275 1.00 53.05 O ATOM 1511 CB TYR A 97 -13.585 2.162 -2.693 1.00 11.53 C ATOM 1512 CG TYR A 97 -13.797 3.657 -2.610 1.00 30.24 C ATOM 1513 CD1 TYR A 97 -12.816 4.543 -3.040 1.00 22.41 C ATOM 1514 CD2 TYR A 97 -14.978 4.184 -2.102 1.00 2.42 C ATOM 1515 CE1 TYR A 97 -13.005 5.909 -2.965 1.00 44.22 C ATOM 1516 CE2 TYR A 97 -15.176 5.549 -2.025 1.00 1.21 C ATOM 1517 CZ TYR A 97 -14.186 6.407 -2.458 1.00 12.44 C ATOM 1518 OH TYR A 97 -14.380 7.767 -2.382 1.00 4.34 O ATOM 0 H TYR A 97 -11.784 1.768 -4.327 1.00 12.30 H new ATOM 0 HA TYR A 97 -11.753 2.474 -1.613 1.00 43.45 H new ATOM 0 HB2 TYR A 97 -13.767 1.834 -3.716 1.00 11.53 H new ATOM 0 HB3 TYR A 97 -14.321 1.663 -2.063 1.00 11.53 H new ATOM 0 HD1 TYR A 97 -11.890 4.156 -3.440 1.00 22.41 H new ATOM 0 HD2 TYR A 97 -15.754 3.515 -1.762 1.00 2.42 H new ATOM 0 HE1 TYR A 97 -12.232 6.583 -3.302 1.00 44.22 H new ATOM 0 HE2 TYR A 97 -16.100 5.942 -1.628 1.00 1.21 H new ATOM 0 HH TYR A 97 -15.265 7.951 -2.002 1.00 4.34 H new ATOM 1528 N SER A 98 -12.216 -0.707 -2.235 1.00 14.43 N ATOM 1529 CA SER A 98 -12.287 -2.029 -1.626 1.00 21.45 C ATOM 1530 C SER A 98 -10.959 -2.400 -0.972 1.00 14.42 C ATOM 1531 O SER A 98 -10.907 -2.729 0.213 1.00 60.02 O ATOM 1532 CB SER A 98 -12.662 -3.078 -2.674 1.00 41.11 C ATOM 1533 OG SER A 98 -12.551 -4.388 -2.148 1.00 71.32 O ATOM 0 H SER A 98 -12.127 -0.715 -3.251 1.00 14.43 H new ATOM 0 HA SER A 98 -13.057 -2.004 -0.855 1.00 21.45 H new ATOM 0 HB2 SER A 98 -13.682 -2.906 -3.016 1.00 41.11 H new ATOM 0 HB3 SER A 98 -12.013 -2.976 -3.543 1.00 41.11 H new ATOM 0 HG SER A 98 -12.798 -5.039 -2.837 1.00 71.32 H new ATOM 1539 N VAL A 99 -9.886 -2.342 -1.755 1.00 11.24 N ATOM 1540 CA VAL A 99 -8.556 -2.670 -1.254 1.00 51.11 C ATOM 1541 C VAL A 99 -8.165 -1.757 -0.097 1.00 1.43 C ATOM 1542 O VAL A 99 -7.778 -2.226 0.973 1.00 51.24 O ATOM 1543 CB VAL A 99 -7.495 -2.557 -2.364 1.00 53.31 C ATOM 1544 CG1 VAL A 99 -6.152 -3.078 -1.874 1.00 21.12 C ATOM 1545 CG2 VAL A 99 -7.944 -3.307 -3.609 1.00 35.41 C ATOM 0 H VAL A 99 -9.912 -2.071 -2.738 1.00 11.24 H new ATOM 0 HA VAL A 99 -8.595 -3.701 -0.903 1.00 51.11 H new ATOM 0 HB VAL A 99 -7.377 -1.505 -2.624 1.00 53.31 H new ATOM 0 HG11 VAL A 99 -5.415 -2.990 -2.672 1.00 21.12 H new ATOM 0 HG12 VAL A 99 -5.827 -2.493 -1.013 1.00 21.12 H new ATOM 0 HG13 VAL A 99 -6.251 -4.124 -1.585 1.00 21.12 H new ATOM 0 HG21 VAL A 99 -7.182 -3.216 -4.383 1.00 35.41 H new ATOM 0 HG22 VAL A 99 -8.091 -4.359 -3.366 1.00 35.41 H new ATOM 0 HG23 VAL A 99 -8.881 -2.883 -3.971 1.00 35.41 H new ATOM 1555 N GLU A 100 -8.267 -0.451 -0.321 1.00 14.43 N ATOM 1556 CA GLU A 100 -7.923 0.528 0.705 1.00 51.15 C ATOM 1557 C GLU A 100 -8.624 0.207 2.021 1.00 34.11 C ATOM 1558 O GLU A 100 -8.100 0.485 3.100 1.00 62.11 O ATOM 1559 CB GLU A 100 -8.302 1.938 0.243 1.00 21.22 C ATOM 1560 CG GLU A 100 -9.786 2.242 0.372 1.00 4.14 C ATOM 1561 CD GLU A 100 -10.141 2.850 1.715 1.00 74.35 C ATOM 1562 OE1 GLU A 100 -9.465 3.815 2.126 1.00 54.31 O ATOM 1563 OE2 GLU A 100 -11.096 2.359 2.354 1.00 63.12 O ATOM 0 H GLU A 100 -8.584 -0.046 -1.202 1.00 14.43 H new ATOM 0 HA GLU A 100 -6.846 0.483 0.867 1.00 51.15 H new ATOM 0 HB2 GLU A 100 -7.738 2.666 0.826 1.00 21.22 H new ATOM 0 HB3 GLU A 100 -8.003 2.063 -0.798 1.00 21.22 H new ATOM 0 HG2 GLU A 100 -10.084 2.926 -0.423 1.00 4.14 H new ATOM 0 HG3 GLU A 100 -10.355 1.323 0.231 1.00 4.14 H new