USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 843 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 112 THR OG1 : rot -160:sc= -0.375 USER MOD Set 1.2: A 114 GLN : amide:sc= -0.0925 K(o=-0.47,f=-2.3!) USER MOD Set 2.1: A 41 GLN : amide:sc= 1.05 K(o=2.4,f=-10!) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 166:sc= 1.35 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= 1.94 (180deg=0.661) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0754 X(o=-0.075,f=-0.47) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.4) USER MOD Single : A 46 MET CE :methyl 154:sc= -0.0348 (180deg=-1.54) USER MOD Single : A 48 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.5!) USER MOD Single : A 50 GLN :FLIP amide:sc= -2.58! C(o=-4.2!,f=-2.6!) USER MOD Single : A 51 ASN : amide:sc= -0.626 K(o=-0.63,f=-5.6!) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.65 K(o=-1.7,f=-2.2!) USER MOD Single : A 66 SER OG : rot 112:sc= 1.28 USER MOD Single : A 67 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.4) USER MOD Single : A 71 LYS NZ :NH3+ -112:sc= -1.22 (180deg=-4.74!) USER MOD Single : A 72 ASN : amide:sc= 0.512 K(o=0.51,f=-6.1!) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.941 F(o=-2.7!,f=-0.94) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= 0.739 K(o=0.74,f=-4.3!) USER MOD Single : A 87 SER OG : rot -62:sc= 1.25 USER MOD Single : A 91 GLN : amide:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 93 TYR OH : rot 130:sc= -0.319 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 97 TYR OH : rot -102:sc= 1.65 USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.208) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 65:sc= 0.662 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= -2.47 X(o=-2.5,f=-2.8!) USER MOD Single : A 121 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.8!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 THR OG1 : rot -81:sc= 1.08 USER MOD Single : A 138 HIS : no HD1:sc= -1.65 X(o=-1.7,f=-1.3) USER MOD Single : A 140 GLN : amide:sc= 0.712 K(o=0.71,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 445 N PHE A 31 1.426 10.792 -4.633 1.00 0.00 N ATOM 446 CA PHE A 31 1.483 11.067 -3.202 1.00 0.00 C ATOM 447 C PHE A 31 0.128 11.539 -2.685 1.00 0.00 C ATOM 448 O PHE A 31 -0.494 10.878 -1.854 1.00 0.00 O ATOM 449 CB PHE A 31 2.550 12.124 -2.907 1.00 0.00 C ATOM 450 CG PHE A 31 2.535 12.610 -1.486 1.00 0.00 C ATOM 451 CD1 PHE A 31 3.213 11.917 -0.496 1.00 0.00 C ATOM 452 CD2 PHE A 31 1.843 13.759 -1.140 1.00 0.00 C ATOM 453 CE1 PHE A 31 3.201 12.362 0.813 1.00 0.00 C ATOM 454 CE2 PHE A 31 1.829 14.209 0.167 1.00 0.00 C ATOM 455 CZ PHE A 31 2.507 13.509 1.145 1.00 0.00 C ATOM 0 HA PHE A 31 1.746 10.142 -2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.533 11.709 -3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.403 12.973 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.757 11.019 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.308 14.309 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.734 11.813 1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.288 15.108 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.495 13.858 2.167 1.00 0.00 H new ATOM 465 N GLU A 32 -0.323 12.687 -3.182 1.00 0.00 N ATOM 466 CA GLU A 32 -1.604 13.247 -2.769 1.00 0.00 C ATOM 467 C GLU A 32 -2.731 12.241 -2.978 1.00 0.00 C ATOM 468 O GLU A 32 -3.468 11.913 -2.048 1.00 0.00 O ATOM 469 CB GLU A 32 -1.899 14.530 -3.548 1.00 0.00 C ATOM 470 CG GLU A 32 -1.923 14.336 -5.055 1.00 0.00 C ATOM 471 CD GLU A 32 -1.908 15.649 -5.813 1.00 0.00 C ATOM 472 OE1 GLU A 32 -2.395 16.658 -5.263 1.00 0.00 O ATOM 473 OE2 GLU A 32 -1.408 15.666 -6.957 1.00 0.00 O ATOM 0 H GLU A 32 0.180 13.247 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.543 13.481 -1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.862 14.927 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.146 15.278 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.062 13.738 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.814 13.772 -5.331 1.00 0.00 H new ATOM 480 N THR A 33 -2.861 11.753 -4.209 1.00 0.00 N ATOM 481 CA THR A 33 -3.898 10.786 -4.542 1.00 0.00 C ATOM 482 C THR A 33 -3.863 9.593 -3.594 1.00 0.00 C ATOM 483 O THR A 33 -4.901 9.136 -3.117 1.00 0.00 O ATOM 484 CB THR A 33 -3.751 10.282 -5.990 1.00 0.00 C ATOM 485 OG1 THR A 33 -3.632 11.392 -6.886 1.00 0.00 O ATOM 486 CG2 THR A 33 -4.945 9.427 -6.389 1.00 0.00 C ATOM 0 H THR A 33 -2.260 12.013 -4.991 1.00 0.00 H new ATOM 0 HA THR A 33 -4.854 11.299 -4.439 1.00 0.00 H new ATOM 0 HB THR A 33 -2.850 9.671 -6.049 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.537 11.063 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.819 9.082 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.015 8.567 -5.723 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.857 10.019 -6.314 1.00 0.00 H new ATOM 494 N ALA A 34 -2.662 9.092 -3.325 1.00 0.00 N ATOM 495 CA ALA A 34 -2.491 7.953 -2.431 1.00 0.00 C ATOM 496 C ALA A 34 -3.373 8.090 -1.194 1.00 0.00 C ATOM 497 O ALA A 34 -4.311 7.317 -0.999 1.00 0.00 O ATOM 498 CB ALA A 34 -1.031 7.812 -2.028 1.00 0.00 C ATOM 0 H ALA A 34 -1.792 9.457 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.796 7.054 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.919 6.958 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.421 7.660 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.706 8.718 -1.516 1.00 0.00 H new ATOM 504 N LYS A 35 -3.065 9.077 -0.360 1.00 0.00 N ATOM 505 CA LYS A 35 -3.829 9.316 0.859 1.00 0.00 C ATOM 506 C LYS A 35 -5.326 9.338 0.567 1.00 0.00 C ATOM 507 O LYS A 35 -6.123 8.792 1.329 1.00 0.00 O ATOM 508 CB LYS A 35 -3.404 10.638 1.500 1.00 0.00 C ATOM 509 CG LYS A 35 -2.303 10.486 2.536 1.00 0.00 C ATOM 510 CD LYS A 35 -1.584 11.802 2.783 1.00 0.00 C ATOM 511 CE LYS A 35 -0.549 12.083 1.704 1.00 0.00 C ATOM 512 NZ LYS A 35 0.645 11.203 1.838 1.00 0.00 N ATOM 0 H LYS A 35 -2.291 9.725 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.624 8.501 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.065 11.318 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.272 11.100 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.730 10.122 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.587 9.736 2.200 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.310 12.614 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.097 11.774 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.999 11.937 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.239 13.127 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.501 11.789 1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.551 10.618 2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.718 10.587 1.003 1.00 0.00 H new ATOM 526 N GLU A 36 -5.699 9.971 -0.541 1.00 0.00 N ATOM 527 CA GLU A 36 -7.101 10.062 -0.932 1.00 0.00 C ATOM 528 C GLU A 36 -7.698 8.674 -1.143 1.00 0.00 C ATOM 529 O GLU A 36 -8.802 8.384 -0.678 1.00 0.00 O ATOM 530 CB GLU A 36 -7.243 10.890 -2.211 1.00 0.00 C ATOM 531 CG GLU A 36 -7.419 12.378 -1.956 1.00 0.00 C ATOM 532 CD GLU A 36 -8.819 12.729 -1.490 1.00 0.00 C ATOM 533 OE1 GLU A 36 -9.444 11.891 -0.807 1.00 0.00 O ATOM 534 OE2 GLU A 36 -9.289 13.841 -1.810 1.00 0.00 O ATOM 0 H GLU A 36 -5.051 10.428 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.646 10.554 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.360 10.738 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.099 10.523 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.698 12.702 -1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.196 12.928 -2.870 1.00 0.00 H new ATOM 541 N CYS A 37 -6.963 7.820 -1.847 1.00 0.00 N ATOM 542 CA CYS A 37 -7.420 6.463 -2.121 1.00 0.00 C ATOM 543 C CYS A 37 -7.722 5.718 -0.824 1.00 0.00 C ATOM 544 O CYS A 37 -8.864 5.342 -0.565 1.00 0.00 O ATOM 545 CB CYS A 37 -6.366 5.701 -2.926 1.00 0.00 C ATOM 546 SG CYS A 37 -6.358 6.097 -4.691 1.00 0.00 S ATOM 0 H CYS A 37 -6.048 8.044 -2.238 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.338 6.526 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.381 5.917 -2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.535 4.631 -2.805 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.432 5.405 -5.287 1.00 0.00 H new ATOM 552 N GLY A 38 -6.690 5.509 -0.013 1.00 0.00 N ATOM 553 CA GLY A 38 -6.865 4.808 1.245 1.00 0.00 C ATOM 554 C GLY A 38 -8.200 5.112 1.896 1.00 0.00 C ATOM 555 O GLY A 38 -8.823 4.231 2.490 1.00 0.00 O ATOM 0 H GLY A 38 -5.735 5.813 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.784 3.735 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.060 5.084 1.927 1.00 0.00 H new ATOM 559 N GLN A 39 -8.640 6.361 1.786 1.00 0.00 N ATOM 560 CA GLN A 39 -9.909 6.778 2.372 1.00 0.00 C ATOM 561 C GLN A 39 -11.079 6.081 1.687 1.00 0.00 C ATOM 562 O GLN A 39 -11.814 5.319 2.315 1.00 0.00 O ATOM 563 CB GLN A 39 -10.070 8.296 2.264 1.00 0.00 C ATOM 564 CG GLN A 39 -9.167 9.072 3.208 1.00 0.00 C ATOM 565 CD GLN A 39 -9.346 10.573 3.086 1.00 0.00 C ATOM 566 OE1 GLN A 39 -10.466 11.066 2.947 1.00 0.00 O ATOM 567 NE2 GLN A 39 -8.241 11.307 3.136 1.00 0.00 N ATOM 0 H GLN A 39 -8.137 7.102 1.297 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.906 6.494 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.860 8.603 1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.108 8.558 2.469 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.373 8.768 4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.128 8.816 3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.334 10.856 3.252 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.299 12.322 3.058 1.00 0.00 H new ATOM 576 N MET A 40 -11.247 6.347 0.396 1.00 0.00 N ATOM 577 CA MET A 40 -12.329 5.743 -0.374 1.00 0.00 C ATOM 578 C MET A 40 -12.206 4.223 -0.385 1.00 0.00 C ATOM 579 O MET A 40 -13.163 3.512 -0.080 1.00 0.00 O ATOM 580 CB MET A 40 -12.323 6.278 -1.808 1.00 0.00 C ATOM 581 CG MET A 40 -12.924 7.667 -1.941 1.00 0.00 C ATOM 582 SD MET A 40 -14.665 7.719 -1.474 1.00 0.00 S ATOM 583 CE MET A 40 -14.581 8.667 0.043 1.00 0.00 C ATOM 0 H MET A 40 -10.648 6.976 -0.139 1.00 0.00 H new ATOM 0 HA MET A 40 -13.273 6.009 0.102 1.00 0.00 H new ATOM 0 HB2 MET A 40 -11.297 6.298 -2.175 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.876 5.589 -2.446 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.363 8.362 -1.316 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.818 8.007 -2.971 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.583 8.785 0.454 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.952 8.145 0.764 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.156 9.649 -0.165 1.00 0.00 H new ATOM 593 N GLN A 41 -11.022 3.732 -0.738 1.00 0.00 N ATOM 594 CA GLN A 41 -10.776 2.296 -0.790 1.00 0.00 C ATOM 595 C GLN A 41 -10.871 1.677 0.601 1.00 0.00 C ATOM 596 O GLN A 41 -11.163 0.491 0.744 1.00 0.00 O ATOM 597 CB GLN A 41 -9.399 2.015 -1.393 1.00 0.00 C ATOM 598 CG GLN A 41 -9.374 2.081 -2.911 1.00 0.00 C ATOM 599 CD GLN A 41 -8.140 1.431 -3.504 1.00 0.00 C ATOM 600 OE1 GLN A 41 -7.977 0.211 -3.445 1.00 0.00 O ATOM 601 NE2 GLN A 41 -7.261 2.243 -4.080 1.00 0.00 N ATOM 0 H GLN A 41 -10.219 4.307 -0.992 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.541 1.844 -1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.684 2.734 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.067 1.026 -1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.264 1.591 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.418 3.124 -3.226 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.436 3.248 -4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.411 1.862 -4.496 1.00 0.00 H new ATOM 610 N ASN A 42 -10.623 2.490 1.623 1.00 0.00 N ATOM 611 CA ASN A 42 -10.680 2.022 3.003 1.00 0.00 C ATOM 612 C ASN A 42 -9.589 0.990 3.273 1.00 0.00 C ATOM 613 O ASN A 42 -9.847 -0.068 3.847 1.00 0.00 O ATOM 614 CB ASN A 42 -12.053 1.418 3.303 1.00 0.00 C ATOM 615 CG ASN A 42 -13.183 2.397 3.047 1.00 0.00 C ATOM 616 OD1 ASN A 42 -14.031 2.172 2.184 1.00 0.00 O ATOM 617 ND2 ASN A 42 -13.198 3.492 3.798 1.00 0.00 N ATOM 0 H ASN A 42 -10.381 3.476 1.521 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.516 2.878 3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.199 0.530 2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.085 1.094 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.933 4.188 3.671 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.474 3.638 4.502 1.00 0.00 H new ATOM 624 N LYS A 43 -8.367 1.305 2.856 1.00 0.00 N ATOM 625 CA LYS A 43 -7.235 0.408 3.053 1.00 0.00 C ATOM 626 C LYS A 43 -6.011 1.175 3.543 1.00 0.00 C ATOM 627 O LYS A 43 -5.845 2.356 3.238 1.00 0.00 O ATOM 628 CB LYS A 43 -6.904 -0.323 1.750 1.00 0.00 C ATOM 629 CG LYS A 43 -8.092 -1.045 1.139 1.00 0.00 C ATOM 630 CD LYS A 43 -7.907 -1.260 -0.354 1.00 0.00 C ATOM 631 CE LYS A 43 -9.214 -1.650 -1.028 1.00 0.00 C ATOM 632 NZ LYS A 43 -9.004 -2.081 -2.438 1.00 0.00 N ATOM 0 H LYS A 43 -8.136 2.176 2.379 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.511 -0.323 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.516 0.396 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.109 -1.045 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.227 -2.008 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.999 -0.467 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.520 -0.348 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.164 -2.040 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.685 -2.458 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.901 -0.804 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.860 -2.558 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.806 -1.249 -3.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.199 -2.738 -2.484 1.00 0.00 H new ATOM 646 N TRP A 44 -5.158 0.497 4.301 1.00 0.00 N ATOM 647 CA TRP A 44 -3.949 1.116 4.832 1.00 0.00 C ATOM 648 C TRP A 44 -3.027 1.564 3.703 1.00 0.00 C ATOM 649 O TRP A 44 -3.251 1.236 2.537 1.00 0.00 O ATOM 650 CB TRP A 44 -3.212 0.140 5.751 1.00 0.00 C ATOM 651 CG TRP A 44 -3.977 -0.195 6.996 1.00 0.00 C ATOM 652 CD1 TRP A 44 -4.428 -1.427 7.374 1.00 0.00 C ATOM 653 CD2 TRP A 44 -4.381 0.716 8.024 1.00 0.00 C ATOM 654 NE1 TRP A 44 -5.088 -1.338 8.576 1.00 0.00 N ATOM 655 CE2 TRP A 44 -5.072 -0.034 8.996 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.224 2.090 8.220 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -5.605 0.547 10.144 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -4.754 2.666 9.359 1.00 0.00 C ATOM 659 CH2 TRP A 44 -5.437 1.895 10.309 1.00 0.00 C ATOM 0 H TRP A 44 -5.281 -0.481 4.562 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.243 1.994 5.407 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.004 -0.779 5.202 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.250 0.570 6.029 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -4.287 -2.338 6.811 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.520 -2.116 9.074 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.698 2.692 7.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.132 -0.045 10.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.640 3.728 9.520 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.839 2.374 11.189 1.00 0.00 H new ATOM 670 N LEU A 45 -1.990 2.316 4.056 1.00 0.00 N ATOM 671 CA LEU A 45 -1.033 2.809 3.071 1.00 0.00 C ATOM 672 C LEU A 45 0.385 2.367 3.420 1.00 0.00 C ATOM 673 O LEU A 45 0.899 2.689 4.491 1.00 0.00 O ATOM 674 CB LEU A 45 -1.098 4.335 2.988 1.00 0.00 C ATOM 675 CG LEU A 45 -0.040 5.005 2.110 1.00 0.00 C ATOM 676 CD1 LEU A 45 -0.246 4.633 0.650 1.00 0.00 C ATOM 677 CD2 LEU A 45 -0.079 6.516 2.288 1.00 0.00 C ATOM 0 H LEU A 45 -1.790 2.597 5.016 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.297 2.387 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.083 4.617 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.012 4.738 3.997 1.00 0.00 H new ATOM 0 HG LEU A 45 0.942 4.648 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.516 5.119 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.168 3.552 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.234 4.962 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.680 6.977 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.063 6.890 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.117 6.765 3.331 1.00 0.00 H new ATOM 689 N MET A 46 1.011 1.631 2.509 1.00 0.00 N ATOM 690 CA MET A 46 2.371 1.148 2.720 1.00 0.00 C ATOM 691 C MET A 46 3.375 1.998 1.948 1.00 0.00 C ATOM 692 O MET A 46 3.430 1.946 0.719 1.00 0.00 O ATOM 693 CB MET A 46 2.487 -0.316 2.290 1.00 0.00 C ATOM 694 CG MET A 46 3.663 -1.043 2.923 1.00 0.00 C ATOM 695 SD MET A 46 3.380 -2.817 3.079 1.00 0.00 S ATOM 696 CE MET A 46 2.747 -2.914 4.751 1.00 0.00 C ATOM 0 H MET A 46 0.599 1.356 1.617 1.00 0.00 H new ATOM 0 HA MET A 46 2.597 1.226 3.783 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.566 -0.837 2.550 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.583 -0.361 1.205 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.556 -0.873 2.322 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.857 -0.622 3.909 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.114 -3.796 4.850 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.579 -2.984 5.452 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.161 -2.021 4.971 1.00 0.00 H new ATOM 706 N ILE A 47 4.166 2.778 2.676 1.00 0.00 N ATOM 707 CA ILE A 47 5.169 3.638 2.059 1.00 0.00 C ATOM 708 C ILE A 47 6.517 2.931 1.966 1.00 0.00 C ATOM 709 O ILE A 47 6.990 2.344 2.939 1.00 0.00 O ATOM 710 CB ILE A 47 5.343 4.951 2.843 1.00 0.00 C ATOM 711 CG1 ILE A 47 4.005 5.684 2.958 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.381 5.836 2.170 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.434 6.111 1.625 1.00 0.00 C ATOM 0 H ILE A 47 4.132 2.833 3.694 1.00 0.00 H new ATOM 0 HA ILE A 47 4.813 3.869 1.055 1.00 0.00 H new ATOM 0 HB ILE A 47 5.693 4.713 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.287 5.036 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.135 6.564 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.493 6.761 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.337 5.314 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.058 6.069 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.485 6.624 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.133 6.785 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.271 5.232 1.001 1.00 0.00 H new ATOM 725 N ASN A 48 7.132 2.993 0.789 1.00 0.00 N ATOM 726 CA ASN A 48 8.427 2.361 0.569 1.00 0.00 C ATOM 727 C ASN A 48 9.336 3.257 -0.266 1.00 0.00 C ATOM 728 O ASN A 48 8.959 3.700 -1.352 1.00 0.00 O ATOM 729 CB ASN A 48 8.246 1.009 -0.125 1.00 0.00 C ATOM 730 CG ASN A 48 7.340 0.075 0.653 1.00 0.00 C ATOM 731 OD1 ASN A 48 6.143 -0.017 0.380 1.00 0.00 O ATOM 732 ND2 ASN A 48 7.909 -0.622 1.630 1.00 0.00 N ATOM 0 H ASN A 48 6.754 3.475 -0.027 1.00 0.00 H new ATOM 0 HA ASN A 48 8.896 2.204 1.540 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.831 1.168 -1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.220 0.539 -0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.350 -1.266 2.190 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.905 -0.513 1.821 1.00 0.00 H new ATOM 739 N ILE A 49 10.532 3.520 0.247 1.00 0.00 N ATOM 740 CA ILE A 49 11.495 4.362 -0.452 1.00 0.00 C ATOM 741 C ILE A 49 12.467 3.521 -1.273 1.00 0.00 C ATOM 742 O ILE A 49 13.380 2.902 -0.728 1.00 0.00 O ATOM 743 CB ILE A 49 12.295 5.238 0.530 1.00 0.00 C ATOM 744 CG1 ILE A 49 11.346 6.082 1.384 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.269 6.129 -0.227 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.616 7.150 0.600 1.00 0.00 C ATOM 0 H ILE A 49 10.858 3.162 1.145 1.00 0.00 H new ATOM 0 HA ILE A 49 10.923 5.007 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 49 12.867 4.587 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.615 5.426 1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.914 6.555 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.827 6.742 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.962 5.509 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.716 6.775 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.961 7.709 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.340 7.829 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.020 6.683 -0.184 1.00 0.00 H new ATOM 758 N GLN A 50 12.263 3.506 -2.586 1.00 0.00 N ATOM 759 CA GLN A 50 13.123 2.742 -3.483 1.00 0.00 C ATOM 760 C GLN A 50 14.582 3.155 -3.322 1.00 0.00 C ATOM 761 O GLN A 50 14.962 4.273 -3.667 1.00 0.00 O ATOM 762 CB GLN A 50 12.682 2.936 -4.935 1.00 0.00 C ATOM 763 CG GLN A 50 12.884 1.704 -5.802 1.00 0.00 C ATOM 764 CD GLN A 50 14.317 1.208 -5.786 1.00 0.00 C ATOM 765 OE1 GLN A 50 14.498 -0.066 -5.460 1.00 0.00 O flip ATOM 766 NE2 GLN A 50 15.250 1.961 -6.064 1.00 0.00 N flip ATOM 0 H GLN A 50 11.511 4.013 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 50 13.033 1.688 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.628 3.213 -4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.237 3.769 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.224 0.908 -5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.595 1.934 -6.827 1.00 0.00 H new ATOM 0 HE21 GLN A 50 15.065 2.934 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.208 1.612 -6.049 1.00 0.00 H new ATOM 775 N ASN A 51 15.395 2.245 -2.795 1.00 0.00 N ATOM 776 CA ASN A 51 16.813 2.516 -2.587 1.00 0.00 C ATOM 777 C ASN A 51 17.578 2.448 -3.905 1.00 0.00 C ATOM 778 O ASN A 51 17.455 1.481 -4.657 1.00 0.00 O ATOM 779 CB ASN A 51 17.403 1.519 -1.589 1.00 0.00 C ATOM 780 CG ASN A 51 17.250 0.082 -2.049 1.00 0.00 C ATOM 781 OD1 ASN A 51 16.487 -0.209 -2.970 1.00 0.00 O ATOM 782 ND2 ASN A 51 17.978 -0.825 -1.407 1.00 0.00 N ATOM 0 H ASN A 51 15.096 1.314 -2.504 1.00 0.00 H new ATOM 0 HA ASN A 51 16.910 3.524 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 51 18.460 1.740 -1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.913 1.643 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.917 -1.808 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 51 18.598 -0.538 -0.649 1.00 0.00 H new ATOM 789 N VAL A 52 18.370 3.480 -4.178 1.00 0.00 N ATOM 790 CA VAL A 52 19.157 3.537 -5.404 1.00 0.00 C ATOM 791 C VAL A 52 20.579 3.039 -5.168 1.00 0.00 C ATOM 792 O VAL A 52 21.192 2.440 -6.051 1.00 0.00 O ATOM 793 CB VAL A 52 19.214 4.968 -5.969 1.00 0.00 C ATOM 794 CG1 VAL A 52 17.852 5.388 -6.499 1.00 0.00 C ATOM 795 CG2 VAL A 52 19.704 5.941 -4.907 1.00 0.00 C ATOM 0 H VAL A 52 18.484 4.288 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 52 18.663 2.888 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 52 19.921 4.984 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.912 6.402 -6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.545 4.707 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.121 5.356 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 52 19.738 6.948 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.023 5.924 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 52 20.702 5.650 -4.580 1.00 0.00 H new ATOM 892 N CYS A 59 16.322 -6.206 -1.801 1.00 0.00 N ATOM 893 CA CYS A 59 16.479 -7.621 -1.487 1.00 0.00 C ATOM 894 C CYS A 59 15.168 -8.215 -0.981 1.00 0.00 C ATOM 895 O CYS A 59 14.782 -9.318 -1.370 1.00 0.00 O ATOM 896 CB CYS A 59 17.577 -7.814 -0.440 1.00 0.00 C ATOM 897 SG CYS A 59 18.218 -9.502 -0.344 1.00 0.00 S ATOM 0 HA CYS A 59 16.764 -8.141 -2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 59 18.401 -7.136 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 59 17.187 -7.529 0.537 1.00 0.00 H new ATOM 0 HG CYS A 59 19.143 -9.564 0.568 1.00 0.00 H new ATOM 903 N LEU A 60 14.488 -7.477 -0.111 1.00 0.00 N ATOM 904 CA LEU A 60 13.220 -7.930 0.450 1.00 0.00 C ATOM 905 C LEU A 60 12.224 -8.266 -0.655 1.00 0.00 C ATOM 906 O LEU A 60 11.674 -9.366 -0.695 1.00 0.00 O ATOM 907 CB LEU A 60 12.634 -6.858 1.371 1.00 0.00 C ATOM 908 CG LEU A 60 13.259 -6.753 2.762 1.00 0.00 C ATOM 909 CD1 LEU A 60 14.371 -5.714 2.771 1.00 0.00 C ATOM 910 CD2 LEU A 60 12.199 -6.411 3.799 1.00 0.00 C ATOM 0 H LEU A 60 14.793 -6.562 0.221 1.00 0.00 H new ATOM 0 HA LEU A 60 13.411 -8.833 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.731 -5.891 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.568 -7.051 1.488 1.00 0.00 H new ATOM 0 HG LEU A 60 13.691 -7.720 3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.804 -5.653 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.143 -6.001 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.963 -4.742 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.662 -6.340 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.737 -5.457 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.437 -7.191 3.812 1.00 0.00 H new ATOM 922 N ASN A 61 12.000 -7.312 -1.553 1.00 0.00 N ATOM 923 CA ASN A 61 11.072 -7.508 -2.661 1.00 0.00 C ATOM 924 C ASN A 61 11.243 -8.894 -3.275 1.00 0.00 C ATOM 925 O ASN A 61 10.284 -9.488 -3.769 1.00 0.00 O ATOM 926 CB ASN A 61 11.287 -6.434 -3.729 1.00 0.00 C ATOM 927 CG ASN A 61 10.035 -6.171 -4.544 1.00 0.00 C ATOM 928 OD1 ASN A 61 9.240 -7.078 -4.791 1.00 0.00 O ATOM 929 ND2 ASN A 61 9.856 -4.926 -4.968 1.00 0.00 N ATOM 0 H ASN A 61 12.448 -6.396 -1.535 1.00 0.00 H new ATOM 0 HA ASN A 61 10.057 -7.426 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.607 -5.508 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.093 -6.744 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.033 -4.689 -5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.541 -4.206 -4.739 1.00 0.00 H new ATOM 936 N ARG A 62 12.470 -9.404 -3.240 1.00 0.00 N ATOM 937 CA ARG A 62 12.767 -10.719 -3.793 1.00 0.00 C ATOM 938 C ARG A 62 11.676 -11.721 -3.429 1.00 0.00 C ATOM 939 O ARG A 62 11.007 -12.272 -4.305 1.00 0.00 O ATOM 940 CB ARG A 62 14.121 -11.216 -3.284 1.00 0.00 C ATOM 941 CG ARG A 62 14.511 -12.582 -3.825 1.00 0.00 C ATOM 942 CD ARG A 62 15.695 -13.164 -3.068 1.00 0.00 C ATOM 943 NE ARG A 62 16.153 -14.422 -3.652 1.00 0.00 N ATOM 944 CZ ARG A 62 16.904 -15.303 -3.001 1.00 0.00 C ATOM 945 NH1 ARG A 62 17.279 -15.065 -1.752 1.00 0.00 N ATOM 946 NH2 ARG A 62 17.282 -16.425 -3.600 1.00 0.00 N ATOM 0 H ARG A 62 13.274 -8.926 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 62 12.806 -10.628 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.890 -10.493 -3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.097 -11.259 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.661 -13.260 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.760 -12.498 -4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.514 -12.445 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.415 -13.328 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 62 15.881 -14.635 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.991 -14.203 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.856 -15.743 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.996 -16.611 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.859 -17.101 -3.099 1.00 0.00 H new ATOM 960 N ASP A 63 11.502 -11.954 -2.133 1.00 0.00 N ATOM 961 CA ASP A 63 10.491 -12.889 -1.653 1.00 0.00 C ATOM 962 C ASP A 63 9.457 -12.175 -0.788 1.00 0.00 C ATOM 963 O ASP A 63 8.273 -12.512 -0.812 1.00 0.00 O ATOM 964 CB ASP A 63 11.148 -14.018 -0.857 1.00 0.00 C ATOM 965 CG ASP A 63 12.056 -14.878 -1.714 1.00 0.00 C ATOM 966 OD1 ASP A 63 11.786 -15.000 -2.928 1.00 0.00 O ATOM 967 OD2 ASP A 63 13.037 -15.428 -1.172 1.00 0.00 O ATOM 0 H ASP A 63 12.048 -11.508 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 63 9.983 -13.313 -2.519 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.725 -13.592 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.374 -14.643 -0.412 1.00 0.00 H new ATOM 972 N VAL A 64 9.913 -11.188 -0.024 1.00 0.00 N ATOM 973 CA VAL A 64 9.027 -10.426 0.849 1.00 0.00 C ATOM 974 C VAL A 64 7.854 -9.844 0.069 1.00 0.00 C ATOM 975 O VAL A 64 6.709 -10.263 0.247 1.00 0.00 O ATOM 976 CB VAL A 64 9.781 -9.281 1.552 1.00 0.00 C ATOM 977 CG1 VAL A 64 8.829 -8.463 2.411 1.00 0.00 C ATOM 978 CG2 VAL A 64 10.927 -9.831 2.387 1.00 0.00 C ATOM 0 H VAL A 64 10.890 -10.897 0.009 1.00 0.00 H new ATOM 0 HA VAL A 64 8.651 -11.119 1.601 1.00 0.00 H new ATOM 0 HB VAL A 64 10.200 -8.624 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.379 -7.659 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.046 -8.037 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.378 -9.106 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.448 -9.008 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.533 -10.511 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.622 -10.368 1.742 1.00 0.00 H new ATOM 988 N TRP A 65 8.145 -8.879 -0.794 1.00 0.00 N ATOM 989 CA TRP A 65 7.113 -8.239 -1.602 1.00 0.00 C ATOM 990 C TRP A 65 6.805 -9.066 -2.846 1.00 0.00 C ATOM 991 O TRP A 65 6.216 -8.567 -3.804 1.00 0.00 O ATOM 992 CB TRP A 65 7.553 -6.831 -2.007 1.00 0.00 C ATOM 993 CG TRP A 65 8.263 -6.093 -0.913 1.00 0.00 C ATOM 994 CD1 TRP A 65 9.484 -5.487 -0.992 1.00 0.00 C ATOM 995 CD2 TRP A 65 7.795 -5.886 0.424 1.00 0.00 C ATOM 996 NE1 TRP A 65 9.804 -4.915 0.216 1.00 0.00 N ATOM 997 CE2 TRP A 65 8.784 -5.145 1.101 1.00 0.00 C ATOM 998 CE3 TRP A 65 6.637 -6.252 1.115 1.00 0.00 C ATOM 999 CZ2 TRP A 65 8.648 -4.766 2.434 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 6.504 -5.876 2.438 1.00 0.00 C ATOM 1001 CH2 TRP A 65 7.504 -5.138 3.086 1.00 0.00 C ATOM 0 H TRP A 65 9.087 -8.522 -0.953 1.00 0.00 H new ATOM 0 HA TRP A 65 6.207 -8.170 -1.001 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.209 -6.899 -2.875 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.677 -6.258 -2.313 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.107 -5.461 -1.874 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.662 -4.402 0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 65 5.860 -6.819 0.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 9.418 -4.199 2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.614 -6.156 2.982 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.369 -4.857 4.120 1.00 0.00 H new ATOM 1012 N SER A 66 7.207 -10.333 -2.823 1.00 0.00 N ATOM 1013 CA SER A 66 6.977 -11.228 -3.951 1.00 0.00 C ATOM 1014 C SER A 66 5.987 -12.327 -3.579 1.00 0.00 C ATOM 1015 O SER A 66 5.190 -12.767 -4.407 1.00 0.00 O ATOM 1016 CB SER A 66 8.296 -11.850 -4.414 1.00 0.00 C ATOM 1017 OG SER A 66 8.936 -11.030 -5.376 1.00 0.00 O ATOM 0 H SER A 66 7.693 -10.763 -2.036 1.00 0.00 H new ATOM 0 HA SER A 66 6.554 -10.642 -4.767 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.955 -11.993 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.107 -12.836 -4.839 1.00 0.00 H new ATOM 0 HG SER A 66 9.753 -10.651 -4.991 1.00 0.00 H new ATOM 1023 N ASN A 67 6.043 -12.767 -2.326 1.00 0.00 N ATOM 1024 CA ASN A 67 5.152 -13.815 -1.842 1.00 0.00 C ATOM 1025 C ASN A 67 3.697 -13.476 -2.149 1.00 0.00 C ATOM 1026 O ASN A 67 3.089 -12.643 -1.477 1.00 0.00 O ATOM 1027 CB ASN A 67 5.335 -14.014 -0.336 1.00 0.00 C ATOM 1028 CG ASN A 67 4.872 -15.382 0.127 1.00 0.00 C ATOM 1029 OD1 ASN A 67 3.692 -15.718 0.022 1.00 0.00 O ATOM 1030 ND2 ASN A 67 5.801 -16.178 0.642 1.00 0.00 N ATOM 0 H ASN A 67 6.697 -12.414 -1.627 1.00 0.00 H new ATOM 0 HA ASN A 67 5.407 -14.741 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.386 -13.884 -0.080 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.779 -13.245 0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.549 -17.110 0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.767 -15.857 0.709 1.00 0.00 H new ATOM 1037 N GLU A 68 3.144 -14.128 -3.167 1.00 0.00 N ATOM 1038 CA GLU A 68 1.760 -13.895 -3.562 1.00 0.00 C ATOM 1039 C GLU A 68 0.894 -13.579 -2.346 1.00 0.00 C ATOM 1040 O GLU A 68 0.258 -12.527 -2.282 1.00 0.00 O ATOM 1041 CB GLU A 68 1.203 -15.118 -4.294 1.00 0.00 C ATOM 1042 CG GLU A 68 -0.175 -14.892 -4.894 1.00 0.00 C ATOM 1043 CD GLU A 68 -0.566 -15.974 -5.881 1.00 0.00 C ATOM 1044 OE1 GLU A 68 0.326 -16.475 -6.598 1.00 0.00 O ATOM 1045 OE2 GLU A 68 -1.764 -16.321 -5.937 1.00 0.00 O ATOM 0 H GLU A 68 3.633 -14.821 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 68 1.740 -13.037 -4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.894 -15.402 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.155 -15.956 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.914 -14.852 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.195 -13.924 -5.395 1.00 0.00 H new ATOM 1052 N ALA A 69 0.874 -14.496 -1.385 1.00 0.00 N ATOM 1053 CA ALA A 69 0.088 -14.315 -0.172 1.00 0.00 C ATOM 1054 C ALA A 69 0.190 -12.882 0.340 1.00 0.00 C ATOM 1055 O ALA A 69 -0.818 -12.253 0.660 1.00 0.00 O ATOM 1056 CB ALA A 69 0.539 -15.295 0.901 1.00 0.00 C ATOM 0 H ALA A 69 1.394 -15.373 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.956 -14.513 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.057 -15.148 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.407 -16.315 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.591 -15.125 1.130 1.00 0.00 H new ATOM 1062 N VAL A 70 1.416 -12.373 0.416 1.00 0.00 N ATOM 1063 CA VAL A 70 1.650 -11.013 0.889 1.00 0.00 C ATOM 1064 C VAL A 70 1.101 -9.987 -0.095 1.00 0.00 C ATOM 1065 O VAL A 70 0.569 -8.951 0.303 1.00 0.00 O ATOM 1066 CB VAL A 70 3.151 -10.747 1.108 1.00 0.00 C ATOM 1067 CG1 VAL A 70 3.374 -9.327 1.607 1.00 0.00 C ATOM 1068 CG2 VAL A 70 3.735 -11.760 2.081 1.00 0.00 C ATOM 0 H VAL A 70 2.262 -12.881 0.156 1.00 0.00 H new ATOM 0 HA VAL A 70 1.128 -10.914 1.841 1.00 0.00 H new ATOM 0 HB VAL A 70 3.665 -10.856 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.440 -9.157 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.993 -8.619 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.849 -9.187 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.796 -11.557 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.219 -11.685 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.609 -12.765 1.679 1.00 0.00 H new ATOM 1078 N LYS A 71 1.234 -10.281 -1.384 1.00 0.00 N ATOM 1079 CA LYS A 71 0.750 -9.385 -2.428 1.00 0.00 C ATOM 1080 C LYS A 71 -0.708 -9.006 -2.186 1.00 0.00 C ATOM 1081 O LYS A 71 -1.053 -7.825 -2.143 1.00 0.00 O ATOM 1082 CB LYS A 71 0.895 -10.044 -3.802 1.00 0.00 C ATOM 1083 CG LYS A 71 2.234 -10.730 -4.008 1.00 0.00 C ATOM 1084 CD LYS A 71 3.388 -9.746 -3.899 1.00 0.00 C ATOM 1085 CE LYS A 71 3.743 -9.152 -5.254 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.659 -10.038 -6.024 1.00 0.00 N ATOM 0 H LYS A 71 1.673 -11.134 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 71 1.353 -8.477 -2.402 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.097 -10.776 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.761 -9.287 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.357 -11.520 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.253 -11.207 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.122 -8.946 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.260 -10.250 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.831 -8.985 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.213 -8.179 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.591 -9.584 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.760 -10.947 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.267 -10.202 -6.973 1.00 0.00 H new ATOM 1100 N ASN A 72 -1.559 -10.014 -2.028 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.979 -9.785 -1.790 1.00 0.00 C ATOM 1102 C ASN A 72 -3.190 -8.912 -0.557 1.00 0.00 C ATOM 1103 O ASN A 72 -4.232 -8.272 -0.408 1.00 0.00 O ATOM 1104 CB ASN A 72 -3.710 -11.119 -1.614 1.00 0.00 C ATOM 1105 CG ASN A 72 -3.918 -11.841 -2.931 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -4.406 -11.259 -3.901 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -3.549 -13.116 -2.972 1.00 0.00 N ATOM 0 H ASN A 72 -1.290 -10.997 -2.060 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.388 -9.265 -2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.139 -11.757 -0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.677 -10.941 -1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.666 -13.653 -3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.149 -13.558 -2.144 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.195 -8.890 0.323 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.271 -8.093 1.542 1.00 0.00 C ATOM 1116 C ILE A 73 -1.848 -6.651 1.283 1.00 0.00 C ATOM 1117 O ILE A 73 -2.532 -5.711 1.689 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.387 -8.684 2.656 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -1.864 -10.090 3.025 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.399 -7.777 3.878 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -0.909 -10.834 3.932 1.00 0.00 C ATOM 0 H ILE A 73 -1.327 -9.415 0.215 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.311 -8.111 1.867 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.363 -8.754 2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.835 -10.018 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.009 -10.667 2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.770 -8.208 4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.016 -6.794 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.419 -7.679 4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.312 -11.823 4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.057 -10.937 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.783 -10.279 4.861 1.00 0.00 H new ATOM 1133 N ILE A 74 -0.718 -6.485 0.605 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.206 -5.157 0.289 1.00 0.00 C ATOM 1135 C ILE A 74 -1.084 -4.460 -0.745 1.00 0.00 C ATOM 1136 O ILE A 74 -0.892 -3.282 -1.044 1.00 0.00 O ATOM 1137 CB ILE A 74 1.239 -5.222 -0.241 1.00 0.00 C ATOM 1138 CG1 ILE A 74 2.165 -5.832 0.814 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.721 -3.835 -0.637 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.569 -6.087 0.310 1.00 0.00 C ATOM 0 H ILE A 74 -0.140 -7.253 0.264 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.219 -4.585 1.217 1.00 0.00 H new ATOM 0 HB ILE A 74 1.257 -5.858 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.212 -5.164 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.736 -6.772 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.743 -3.898 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.074 -3.434 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.691 -3.178 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.170 -6.520 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.533 -6.779 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.016 -5.147 -0.012 1.00 0.00 H new ATOM 1152 N ARG A 75 -2.049 -5.197 -1.286 1.00 0.00 N ATOM 1153 CA ARG A 75 -2.957 -4.650 -2.286 1.00 0.00 C ATOM 1154 C ARG A 75 -4.326 -4.360 -1.677 1.00 0.00 C ATOM 1155 O ARG A 75 -4.967 -3.365 -2.013 1.00 0.00 O ATOM 1156 CB ARG A 75 -3.104 -5.621 -3.459 1.00 0.00 C ATOM 1157 CG ARG A 75 -4.038 -6.786 -3.171 1.00 0.00 C ATOM 1158 CD ARG A 75 -4.149 -7.718 -4.367 1.00 0.00 C ATOM 1159 NE ARG A 75 -5.326 -8.580 -4.282 1.00 0.00 N ATOM 1160 CZ ARG A 75 -6.497 -8.280 -4.831 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -6.648 -7.147 -5.503 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -7.521 -9.115 -4.710 1.00 0.00 N ATOM 0 H ARG A 75 -2.222 -6.174 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.534 -3.713 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.474 -5.076 -4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.121 -6.011 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.673 -7.342 -2.307 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.026 -6.406 -2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.197 -7.129 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.252 -8.334 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.243 -9.460 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.863 -6.503 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.549 -6.920 -5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.409 -9.988 -4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.420 -8.884 -5.132 1.00 0.00 H new ATOM 1176 N GLU A 76 -4.767 -5.238 -0.781 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.060 -5.076 -0.127 1.00 0.00 C ATOM 1178 C GLU A 76 -5.908 -4.351 1.207 1.00 0.00 C ATOM 1179 O GLU A 76 -6.414 -3.243 1.385 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.719 -6.440 0.093 1.00 0.00 C ATOM 1181 CG GLU A 76 -8.145 -6.350 0.609 1.00 0.00 C ATOM 1182 CD GLU A 76 -8.567 -7.588 1.377 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -8.884 -8.608 0.730 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -8.579 -7.536 2.625 1.00 0.00 O ATOM 0 H GLU A 76 -4.248 -6.067 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.695 -4.474 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.716 -6.992 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.121 -7.013 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.239 -5.477 1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.823 -6.200 -0.231 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.208 -4.985 2.142 1.00 0.00 N ATOM 1192 CA HIS A 77 -4.988 -4.401 3.461 1.00 0.00 C ATOM 1193 C HIS A 77 -4.234 -3.079 3.351 1.00 0.00 C ATOM 1194 O HIS A 77 -4.554 -2.111 4.041 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.211 -5.373 4.349 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.000 -6.582 4.748 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -4.808 -7.894 4.476 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.140 -6.515 5.520 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -5.825 -8.589 5.083 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -6.615 -7.734 5.707 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.783 -5.903 2.011 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.961 -4.207 3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.312 -5.694 3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -3.885 -4.850 5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.577 -5.608 5.911 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.957 -9.660 5.055 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.450 -7.974 6.242 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.232 -3.046 2.480 1.00 0.00 N ATOM 1210 CA PHE A 78 -2.431 -1.844 2.281 1.00 0.00 C ATOM 1211 C PHE A 78 -2.380 -1.462 0.805 1.00 0.00 C ATOM 1212 O PHE A 78 -2.870 -2.196 -0.054 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.012 -2.057 2.813 1.00 0.00 C ATOM 1214 CG PHE A 78 -0.968 -2.767 4.135 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.142 -4.140 4.206 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -0.753 -2.062 5.309 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.102 -4.797 5.421 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -0.711 -2.713 6.527 1.00 0.00 C ATOM 1219 CZ PHE A 78 -0.887 -4.082 6.583 1.00 0.00 C ATOM 0 H PHE A 78 -2.955 -3.838 1.900 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.901 -1.030 2.833 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.441 -2.630 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.521 -1.089 2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.311 -4.704 3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.617 -0.991 5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.239 -5.868 5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.541 -2.152 7.434 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.857 -4.593 7.534 1.00 0.00 H new ATOM 1229 N ILE A 79 -1.786 -0.309 0.518 1.00 0.00 N ATOM 1230 CA ILE A 79 -1.671 0.171 -0.854 1.00 0.00 C ATOM 1231 C ILE A 79 -0.213 0.230 -1.295 1.00 0.00 C ATOM 1232 O ILE A 79 0.653 0.694 -0.554 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.302 1.567 -1.017 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -3.769 1.542 -0.582 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.179 2.038 -2.458 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -4.653 0.712 -1.486 1.00 0.00 C ATOM 0 H ILE A 79 -1.377 0.311 1.217 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.210 -0.538 -1.483 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.766 2.269 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.832 1.151 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.149 2.563 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.629 3.026 -2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.126 2.090 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.693 1.337 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.678 0.740 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.620 1.116 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.298 -0.319 -1.495 1.00 0.00 H new ATOM 1248 N PHE A 80 0.051 -0.244 -2.509 1.00 0.00 N ATOM 1249 CA PHE A 80 1.405 -0.245 -3.051 1.00 0.00 C ATOM 1250 C PHE A 80 1.852 1.172 -3.400 1.00 0.00 C ATOM 1251 O PHE A 80 1.310 1.798 -4.311 1.00 0.00 O ATOM 1252 CB PHE A 80 1.480 -1.136 -4.292 1.00 0.00 C ATOM 1253 CG PHE A 80 2.878 -1.341 -4.800 1.00 0.00 C ATOM 1254 CD1 PHE A 80 3.871 -1.819 -3.960 1.00 0.00 C ATOM 1255 CD2 PHE A 80 3.200 -1.056 -6.117 1.00 0.00 C ATOM 1256 CE1 PHE A 80 5.159 -2.008 -4.424 1.00 0.00 C ATOM 1257 CE2 PHE A 80 4.486 -1.243 -6.587 1.00 0.00 C ATOM 1258 CZ PHE A 80 5.467 -1.721 -5.740 1.00 0.00 C ATOM 0 H PHE A 80 -0.654 -0.632 -3.135 1.00 0.00 H new ATOM 0 HA PHE A 80 2.075 -0.641 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.041 -2.106 -4.060 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.876 -0.694 -5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.636 -2.046 -2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.437 -0.683 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.924 -2.380 -3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.724 -1.016 -7.616 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.472 -1.870 -6.106 1.00 0.00 H new ATOM 1268 N TRP A 81 2.843 1.670 -2.669 1.00 0.00 N ATOM 1269 CA TRP A 81 3.363 3.013 -2.901 1.00 0.00 C ATOM 1270 C TRP A 81 4.888 3.015 -2.890 1.00 0.00 C ATOM 1271 O TRP A 81 5.509 2.949 -1.830 1.00 0.00 O ATOM 1272 CB TRP A 81 2.832 3.978 -1.840 1.00 0.00 C ATOM 1273 CG TRP A 81 2.788 5.403 -2.302 1.00 0.00 C ATOM 1274 CD1 TRP A 81 1.832 5.981 -3.087 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.743 6.428 -2.008 1.00 0.00 C ATOM 1276 NE1 TRP A 81 2.135 7.304 -3.299 1.00 0.00 N ATOM 1277 CE2 TRP A 81 3.302 7.604 -2.647 1.00 0.00 C ATOM 1278 CE3 TRP A 81 4.926 6.469 -1.266 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 4.004 8.803 -2.566 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 5.622 7.660 -1.187 1.00 0.00 C ATOM 1281 CH2 TRP A 81 5.159 8.814 -1.833 1.00 0.00 C ATOM 0 H TRP A 81 3.302 1.165 -1.911 1.00 0.00 H new ATOM 0 HA TRP A 81 3.025 3.342 -3.883 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.829 3.668 -1.546 1.00 0.00 H new ATOM 0 HB3 TRP A 81 3.460 3.911 -0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.965 5.473 -3.483 1.00 0.00 H new ATOM 0 HE1 TRP A 81 1.581 7.957 -3.852 1.00 0.00 H new ATOM 0 HE3 TRP A 81 5.290 5.585 -0.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.649 9.693 -3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.539 7.702 -0.618 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.725 9.730 -1.751 1.00 0.00 H new ATOM 1292 N GLN A 82 5.483 3.092 -4.076 1.00 0.00 N ATOM 1293 CA GLN A 82 6.936 3.103 -4.201 1.00 0.00 C ATOM 1294 C GLN A 82 7.412 4.364 -4.915 1.00 0.00 C ATOM 1295 O GLN A 82 6.935 4.692 -6.001 1.00 0.00 O ATOM 1296 CB GLN A 82 7.413 1.863 -4.960 1.00 0.00 C ATOM 1297 CG GLN A 82 8.916 1.650 -4.895 1.00 0.00 C ATOM 1298 CD GLN A 82 9.423 0.724 -5.983 1.00 0.00 C ATOM 1299 OE1 GLN A 82 9.520 -0.487 -5.788 1.00 0.00 O ATOM 1300 NE2 GLN A 82 9.748 1.291 -7.139 1.00 0.00 N ATOM 0 H GLN A 82 4.982 3.148 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 82 7.361 3.093 -3.198 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.912 0.984 -4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.111 1.948 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.419 2.613 -4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 82 9.179 1.237 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.652 2.300 -7.257 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.094 0.718 -7.909 1.00 0.00 H new ATOM 1309 N VAL A 83 8.354 5.068 -4.296 1.00 0.00 N ATOM 1310 CA VAL A 83 8.895 6.293 -4.873 1.00 0.00 C ATOM 1311 C VAL A 83 10.404 6.378 -4.667 1.00 0.00 C ATOM 1312 O VAL A 83 10.905 6.141 -3.568 1.00 0.00 O ATOM 1313 CB VAL A 83 8.234 7.542 -4.259 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.749 7.576 -4.590 1.00 0.00 C ATOM 1315 CG2 VAL A 83 8.454 7.576 -2.755 1.00 0.00 C ATOM 0 H VAL A 83 8.758 4.811 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 83 8.678 6.263 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 83 8.699 8.428 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.298 8.465 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.618 7.602 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.266 6.686 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.980 8.465 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.016 6.686 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.523 7.602 -2.544 1.00 0.00 H new ATOM 1325 N TYR A 84 11.122 6.718 -5.731 1.00 0.00 N ATOM 1326 CA TYR A 84 12.574 6.833 -5.668 1.00 0.00 C ATOM 1327 C TYR A 84 12.989 8.076 -4.888 1.00 0.00 C ATOM 1328 O TYR A 84 12.576 9.191 -5.207 1.00 0.00 O ATOM 1329 CB TYR A 84 13.164 6.882 -7.079 1.00 0.00 C ATOM 1330 CG TYR A 84 13.507 5.520 -7.639 1.00 0.00 C ATOM 1331 CD1 TYR A 84 14.764 4.963 -7.442 1.00 0.00 C ATOM 1332 CD2 TYR A 84 12.575 4.792 -8.368 1.00 0.00 C ATOM 1333 CE1 TYR A 84 15.083 3.719 -7.953 1.00 0.00 C ATOM 1334 CE2 TYR A 84 12.884 3.547 -8.881 1.00 0.00 C ATOM 1335 CZ TYR A 84 14.139 3.015 -8.671 1.00 0.00 C ATOM 1336 OH TYR A 84 14.451 1.776 -9.182 1.00 0.00 O ATOM 0 H TYR A 84 10.722 6.919 -6.648 1.00 0.00 H new ATOM 0 HA TYR A 84 12.960 5.955 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.452 7.371 -7.745 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.063 7.498 -7.067 1.00 0.00 H new ATOM 0 HD1 TYR A 84 15.505 5.512 -6.880 1.00 0.00 H new ATOM 0 HD2 TYR A 84 11.592 5.206 -8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.065 3.301 -7.791 1.00 0.00 H new ATOM 0 HE2 TYR A 84 12.147 2.993 -9.443 1.00 0.00 H new ATOM 0 HH TYR A 84 13.676 1.415 -9.660 1.00 0.00 H new ATOM 1346 N HIS A 85 13.810 7.876 -3.862 1.00 0.00 N ATOM 1347 CA HIS A 85 14.284 8.980 -3.035 1.00 0.00 C ATOM 1348 C HIS A 85 14.564 10.215 -3.886 1.00 0.00 C ATOM 1349 O HIS A 85 14.257 11.338 -3.487 1.00 0.00 O ATOM 1350 CB HIS A 85 15.547 8.572 -2.276 1.00 0.00 C ATOM 1351 CG HIS A 85 16.437 9.725 -1.930 1.00 0.00 C ATOM 1352 ND1 HIS A 85 17.379 10.236 -2.798 1.00 0.00 N ATOM 1353 CD2 HIS A 85 16.524 10.469 -0.803 1.00 0.00 C ATOM 1354 CE1 HIS A 85 18.008 11.244 -2.219 1.00 0.00 C ATOM 1355 NE2 HIS A 85 17.507 11.406 -1.007 1.00 0.00 N ATOM 0 H HIS A 85 14.161 6.960 -3.583 1.00 0.00 H new ATOM 0 HA HIS A 85 13.502 9.225 -2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.260 8.058 -1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 85 16.109 7.858 -2.879 1.00 0.00 H new ATOM 0 HD1 HIS A 85 17.562 9.890 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.930 10.348 0.091 1.00 0.00 H new ATOM 0 HE1 HIS A 85 18.797 11.835 -2.661 1.00 0.00 H new ATOM 1364 N ASP A 86 15.149 9.999 -5.058 1.00 0.00 N ATOM 1365 CA ASP A 86 15.471 11.094 -5.966 1.00 0.00 C ATOM 1366 C ASP A 86 14.200 11.743 -6.506 1.00 0.00 C ATOM 1367 O ASP A 86 14.088 12.968 -6.552 1.00 0.00 O ATOM 1368 CB ASP A 86 16.333 10.589 -7.124 1.00 0.00 C ATOM 1369 CG ASP A 86 17.749 10.263 -6.692 1.00 0.00 C ATOM 1370 OD1 ASP A 86 17.951 9.961 -5.498 1.00 0.00 O ATOM 1371 OD2 ASP A 86 18.655 10.310 -7.550 1.00 0.00 O ATOM 0 H ASP A 86 15.410 9.075 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 86 16.031 11.844 -5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 86 15.873 9.699 -7.554 1.00 0.00 H new ATOM 0 HB3 ASP A 86 16.361 11.345 -7.909 1.00 0.00 H new ATOM 1376 N SER A 87 13.246 10.913 -6.915 1.00 0.00 N ATOM 1377 CA SER A 87 11.985 11.406 -7.457 1.00 0.00 C ATOM 1378 C SER A 87 11.338 12.406 -6.503 1.00 0.00 C ATOM 1379 O SER A 87 11.483 12.301 -5.286 1.00 0.00 O ATOM 1380 CB SER A 87 11.028 10.241 -7.718 1.00 0.00 C ATOM 1381 OG SER A 87 10.325 9.884 -6.541 1.00 0.00 O ATOM 0 H SER A 87 13.322 9.896 -6.881 1.00 0.00 H new ATOM 0 HA SER A 87 12.196 11.912 -8.399 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.319 10.517 -8.499 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.589 9.381 -8.085 1.00 0.00 H new ATOM 0 HG SER A 87 10.960 9.578 -5.861 1.00 0.00 H new ATOM 1387 N GLU A 88 10.624 13.375 -7.068 1.00 0.00 N ATOM 1388 CA GLU A 88 9.955 14.395 -6.268 1.00 0.00 C ATOM 1389 C GLU A 88 9.199 13.763 -5.103 1.00 0.00 C ATOM 1390 O GLU A 88 9.492 14.037 -3.939 1.00 0.00 O ATOM 1391 CB GLU A 88 8.990 15.204 -7.137 1.00 0.00 C ATOM 1392 CG GLU A 88 8.312 16.343 -6.395 1.00 0.00 C ATOM 1393 CD GLU A 88 9.274 17.459 -6.035 1.00 0.00 C ATOM 1394 OE1 GLU A 88 10.031 17.901 -6.924 1.00 0.00 O ATOM 1395 OE2 GLU A 88 9.270 17.889 -4.862 1.00 0.00 O ATOM 0 H GLU A 88 10.494 13.475 -8.075 1.00 0.00 H new ATOM 0 HA GLU A 88 10.717 15.062 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.535 15.610 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.227 14.536 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.508 16.746 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.853 15.957 -5.485 1.00 0.00 H new ATOM 1402 N GLU A 89 8.226 12.917 -5.425 1.00 0.00 N ATOM 1403 CA GLU A 89 7.427 12.248 -4.404 1.00 0.00 C ATOM 1404 C GLU A 89 8.313 11.721 -3.279 1.00 0.00 C ATOM 1405 O GLU A 89 7.965 11.817 -2.103 1.00 0.00 O ATOM 1406 CB GLU A 89 6.630 11.098 -5.022 1.00 0.00 C ATOM 1407 CG GLU A 89 5.300 11.529 -5.618 1.00 0.00 C ATOM 1408 CD GLU A 89 4.568 10.389 -6.297 1.00 0.00 C ATOM 1409 OE1 GLU A 89 4.298 9.373 -5.623 1.00 0.00 O ATOM 1410 OE2 GLU A 89 4.265 10.512 -7.502 1.00 0.00 O ATOM 0 H GLU A 89 7.972 12.678 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 89 6.734 12.977 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.231 10.627 -5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.448 10.342 -4.258 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.670 11.942 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.472 12.327 -6.340 1.00 0.00 H new ATOM 1417 N GLY A 90 9.461 11.162 -3.650 1.00 0.00 N ATOM 1418 CA GLY A 90 10.379 10.627 -2.662 1.00 0.00 C ATOM 1419 C GLY A 90 10.812 11.668 -1.648 1.00 0.00 C ATOM 1420 O GLY A 90 10.466 11.578 -0.471 1.00 0.00 O ATOM 0 H GLY A 90 9.771 11.070 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.904 9.794 -2.143 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.259 10.228 -3.167 1.00 0.00 H new ATOM 1424 N GLN A 91 11.571 12.658 -2.107 1.00 0.00 N ATOM 1425 CA GLN A 91 12.053 13.719 -1.230 1.00 0.00 C ATOM 1426 C GLN A 91 11.006 14.076 -0.181 1.00 0.00 C ATOM 1427 O GLN A 91 11.321 14.221 1.000 1.00 0.00 O ATOM 1428 CB GLN A 91 12.416 14.960 -2.048 1.00 0.00 C ATOM 1429 CG GLN A 91 13.553 14.729 -3.032 1.00 0.00 C ATOM 1430 CD GLN A 91 14.917 14.953 -2.410 1.00 0.00 C ATOM 1431 OE1 GLN A 91 15.525 16.009 -2.582 1.00 0.00 O ATOM 1432 NE2 GLN A 91 15.406 13.957 -1.680 1.00 0.00 N ATOM 0 H GLN A 91 11.865 12.748 -3.080 1.00 0.00 H new ATOM 0 HA GLN A 91 12.944 13.356 -0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.535 15.295 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.693 15.765 -1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.495 13.710 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.432 15.398 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.868 13.098 -1.563 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.319 14.051 -1.236 1.00 0.00 H new ATOM 1441 N ARG A 92 9.759 14.217 -0.620 1.00 0.00 N ATOM 1442 CA ARG A 92 8.666 14.559 0.281 1.00 0.00 C ATOM 1443 C ARG A 92 8.706 13.694 1.538 1.00 0.00 C ATOM 1444 O ARG A 92 8.723 14.207 2.657 1.00 0.00 O ATOM 1445 CB ARG A 92 7.320 14.387 -0.426 1.00 0.00 C ATOM 1446 CG ARG A 92 7.168 15.255 -1.664 1.00 0.00 C ATOM 1447 CD ARG A 92 6.722 16.664 -1.305 1.00 0.00 C ATOM 1448 NE ARG A 92 5.446 16.670 -0.595 1.00 0.00 N ATOM 1449 CZ ARG A 92 4.266 16.679 -1.203 1.00 0.00 C ATOM 1450 NH1 ARG A 92 4.199 16.684 -2.528 1.00 0.00 N ATOM 1451 NH2 ARG A 92 3.148 16.684 -0.488 1.00 0.00 N ATOM 0 H ARG A 92 9.481 14.099 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 92 8.784 15.602 0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.198 13.341 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.519 14.623 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.117 15.298 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.442 14.803 -2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.483 17.139 -0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.634 17.259 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 92 5.462 16.667 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.055 16.681 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 92 3.291 16.691 -2.993 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.194 16.681 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.242 16.691 -0.957 1.00 0.00 H new ATOM 1465 N TYR A 93 8.720 12.380 1.344 1.00 0.00 N ATOM 1466 CA TYR A 93 8.756 11.443 2.461 1.00 0.00 C ATOM 1467 C TYR A 93 9.933 11.741 3.385 1.00 0.00 C ATOM 1468 O TYR A 93 9.757 11.944 4.587 1.00 0.00 O ATOM 1469 CB TYR A 93 8.848 10.006 1.946 1.00 0.00 C ATOM 1470 CG TYR A 93 8.491 8.967 2.985 1.00 0.00 C ATOM 1471 CD1 TYR A 93 7.189 8.841 3.452 1.00 0.00 C ATOM 1472 CD2 TYR A 93 9.457 8.109 3.498 1.00 0.00 C ATOM 1473 CE1 TYR A 93 6.859 7.894 4.402 1.00 0.00 C ATOM 1474 CE2 TYR A 93 9.135 7.157 4.447 1.00 0.00 C ATOM 1475 CZ TYR A 93 7.835 7.054 4.895 1.00 0.00 C ATOM 1476 OH TYR A 93 7.510 6.108 5.840 1.00 0.00 O ATOM 0 H TYR A 93 8.707 11.940 0.424 1.00 0.00 H new ATOM 0 HA TYR A 93 7.833 11.559 3.029 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.185 9.893 1.088 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.862 9.820 1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.421 9.495 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.476 8.188 3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.842 7.812 4.757 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.897 6.498 4.835 1.00 0.00 H new ATOM 0 HH TYR A 93 7.856 5.235 5.561 1.00 0.00 H new ATOM 1486 N ILE A 94 11.133 11.765 2.814 1.00 0.00 N ATOM 1487 CA ILE A 94 12.339 12.040 3.585 1.00 0.00 C ATOM 1488 C ILE A 94 12.127 13.209 4.540 1.00 0.00 C ATOM 1489 O ILE A 94 12.540 13.159 5.698 1.00 0.00 O ATOM 1490 CB ILE A 94 13.535 12.352 2.666 1.00 0.00 C ATOM 1491 CG1 ILE A 94 13.900 11.123 1.831 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.728 12.814 3.488 1.00 0.00 C ATOM 1493 CD1 ILE A 94 13.206 11.076 0.488 1.00 0.00 C ATOM 0 H ILE A 94 11.296 11.597 1.821 1.00 0.00 H new ATOM 0 HA ILE A 94 12.558 11.140 4.160 1.00 0.00 H new ATOM 0 HB ILE A 94 13.252 13.157 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 94 14.979 11.108 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 94 13.647 10.224 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.565 13.031 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.462 13.714 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 94 15.014 12.029 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 94 13.512 10.178 -0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.126 11.059 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.478 11.957 -0.093 1.00 0.00 H new ATOM 1505 N GLN A 95 11.480 14.259 4.046 1.00 0.00 N ATOM 1506 CA GLN A 95 11.212 15.441 4.857 1.00 0.00 C ATOM 1507 C GLN A 95 10.096 15.171 5.861 1.00 0.00 C ATOM 1508 O GLN A 95 10.139 15.646 6.996 1.00 0.00 O ATOM 1509 CB GLN A 95 10.835 16.624 3.964 1.00 0.00 C ATOM 1510 CG GLN A 95 11.928 17.018 2.983 1.00 0.00 C ATOM 1511 CD GLN A 95 12.918 18.001 3.575 1.00 0.00 C ATOM 1512 OE1 GLN A 95 12.566 19.135 3.899 1.00 0.00 O ATOM 1513 NE2 GLN A 95 14.166 17.570 3.720 1.00 0.00 N ATOM 0 H GLN A 95 11.132 14.316 3.089 1.00 0.00 H new ATOM 0 HA GLN A 95 12.120 15.686 5.408 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.931 16.375 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.596 17.482 4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.460 16.123 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.473 17.457 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.414 16.622 3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.876 18.187 4.113 1.00 0.00 H new ATOM 1522 N PHE A 96 9.096 14.406 5.435 1.00 0.00 N ATOM 1523 CA PHE A 96 7.967 14.074 6.296 1.00 0.00 C ATOM 1524 C PHE A 96 8.423 13.880 7.739 1.00 0.00 C ATOM 1525 O PHE A 96 8.098 14.679 8.617 1.00 0.00 O ATOM 1526 CB PHE A 96 7.271 12.807 5.794 1.00 0.00 C ATOM 1527 CG PHE A 96 5.858 12.665 6.284 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.568 12.753 7.636 1.00 0.00 C ATOM 1529 CD2 PHE A 96 4.821 12.443 5.393 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.269 12.624 8.090 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.520 12.313 5.841 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.244 12.402 7.191 1.00 0.00 C ATOM 0 H PHE A 96 9.045 14.004 4.499 1.00 0.00 H new ATOM 0 HA PHE A 96 7.261 14.904 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.271 12.810 4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.846 11.937 6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.366 12.924 8.343 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.031 12.371 4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.056 12.697 9.146 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.720 12.142 5.136 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.228 12.298 7.543 1.00 0.00 H new ATOM 1542 N TYR A 97 9.176 12.812 7.977 1.00 0.00 N ATOM 1543 CA TYR A 97 9.674 12.509 9.313 1.00 0.00 C ATOM 1544 C TYR A 97 11.192 12.651 9.374 1.00 0.00 C ATOM 1545 O TYR A 97 11.840 12.139 10.287 1.00 0.00 O ATOM 1546 CB TYR A 97 9.266 11.094 9.724 1.00 0.00 C ATOM 1547 CG TYR A 97 7.831 10.755 9.388 1.00 0.00 C ATOM 1548 CD1 TYR A 97 7.461 10.423 8.091 1.00 0.00 C ATOM 1549 CD2 TYR A 97 6.846 10.769 10.367 1.00 0.00 C ATOM 1550 CE1 TYR A 97 6.151 10.114 7.778 1.00 0.00 C ATOM 1551 CE2 TYR A 97 5.534 10.460 10.065 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.192 10.133 8.769 1.00 0.00 C ATOM 1553 OH TYR A 97 3.886 9.826 8.463 1.00 0.00 O ATOM 0 H TYR A 97 9.455 12.141 7.261 1.00 0.00 H new ATOM 0 HA TYR A 97 9.232 13.223 10.008 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.924 10.378 9.232 1.00 0.00 H new ATOM 0 HB3 TYR A 97 9.416 10.979 10.798 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.210 10.406 7.313 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.110 11.026 11.382 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.880 9.859 6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.781 10.474 10.839 1.00 0.00 H new ATOM 0 HH TYR A 97 3.363 10.652 8.397 1.00 0.00 H new ATOM 1563 N LYS A 98 11.754 13.351 8.394 1.00 0.00 N ATOM 1564 CA LYS A 98 13.195 13.564 8.334 1.00 0.00 C ATOM 1565 C LYS A 98 13.938 12.235 8.246 1.00 0.00 C ATOM 1566 O LYS A 98 14.998 12.063 8.849 1.00 0.00 O ATOM 1567 CB LYS A 98 13.667 14.344 9.563 1.00 0.00 C ATOM 1568 CG LYS A 98 13.100 15.750 9.647 1.00 0.00 C ATOM 1569 CD LYS A 98 13.910 16.729 8.813 1.00 0.00 C ATOM 1570 CE LYS A 98 14.921 17.482 9.665 1.00 0.00 C ATOM 1571 NZ LYS A 98 16.169 16.696 9.869 1.00 0.00 N ATOM 0 H LYS A 98 11.233 13.781 7.630 1.00 0.00 H new ATOM 0 HA LYS A 98 13.415 14.143 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.386 13.794 10.461 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.755 14.401 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.066 15.747 9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.090 16.078 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.430 16.191 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.239 17.439 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.164 18.431 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 98 14.477 17.717 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.899 17.306 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.976 15.897 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 16.506 16.335 8.954 1.00 0.00 H new ATOM 1585 N LEU A 99 13.377 11.297 7.490 1.00 0.00 N ATOM 1586 CA LEU A 99 13.987 9.983 7.321 1.00 0.00 C ATOM 1587 C LEU A 99 15.414 10.109 6.798 1.00 0.00 C ATOM 1588 O LEU A 99 15.775 11.112 6.184 1.00 0.00 O ATOM 1589 CB LEU A 99 13.153 9.131 6.363 1.00 0.00 C ATOM 1590 CG LEU A 99 13.865 7.929 5.741 1.00 0.00 C ATOM 1591 CD1 LEU A 99 12.858 6.868 5.326 1.00 0.00 C ATOM 1592 CD2 LEU A 99 14.705 8.365 4.549 1.00 0.00 C ATOM 0 H LEU A 99 12.500 11.423 6.984 1.00 0.00 H new ATOM 0 HA LEU A 99 14.019 9.496 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.275 8.770 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.794 9.772 5.558 1.00 0.00 H new ATOM 0 HG LEU A 99 14.529 7.497 6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.383 6.020 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.300 6.534 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.168 7.288 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.204 7.497 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.061 8.822 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 99 15.452 9.089 4.875 1.00 0.00 H new ATOM 1604 N GLY A 100 16.222 9.082 7.043 1.00 0.00 N ATOM 1605 CA GLY A 100 17.600 9.096 6.587 1.00 0.00 C ATOM 1606 C GLY A 100 18.284 7.755 6.766 1.00 0.00 C ATOM 1607 O GLY A 100 19.431 7.690 7.206 1.00 0.00 O ATOM 0 H GLY A 100 15.947 8.240 7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.628 9.377 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.153 9.859 7.135 1.00 0.00 H new ATOM 1611 N ASP A 101 17.578 6.683 6.424 1.00 0.00 N ATOM 1612 CA ASP A 101 18.124 5.337 6.549 1.00 0.00 C ATOM 1613 C ASP A 101 17.351 4.354 5.675 1.00 0.00 C ATOM 1614 O ASP A 101 16.276 4.672 5.165 1.00 0.00 O ATOM 1615 CB ASP A 101 18.083 4.881 8.009 1.00 0.00 C ATOM 1616 CG ASP A 101 16.802 5.290 8.708 1.00 0.00 C ATOM 1617 OD1 ASP A 101 15.812 4.534 8.623 1.00 0.00 O ATOM 1618 OD2 ASP A 101 16.788 6.367 9.340 1.00 0.00 O ATOM 0 H ASP A 101 16.627 6.720 6.058 1.00 0.00 H new ATOM 0 HA ASP A 101 19.160 5.359 6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.186 3.797 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.935 5.303 8.542 1.00 0.00 H new ATOM 1623 N PHE A 102 17.907 3.159 5.504 1.00 0.00 N ATOM 1624 CA PHE A 102 17.271 2.130 4.689 1.00 0.00 C ATOM 1625 C PHE A 102 17.848 0.753 5.005 1.00 0.00 C ATOM 1626 O PHE A 102 18.996 0.615 5.430 1.00 0.00 O ATOM 1627 CB PHE A 102 17.453 2.442 3.203 1.00 0.00 C ATOM 1628 CG PHE A 102 17.190 3.880 2.856 1.00 0.00 C ATOM 1629 CD1 PHE A 102 18.197 4.826 2.960 1.00 0.00 C ATOM 1630 CD2 PHE A 102 15.937 4.285 2.426 1.00 0.00 C ATOM 1631 CE1 PHE A 102 17.958 6.150 2.642 1.00 0.00 C ATOM 1632 CE2 PHE A 102 15.692 5.607 2.106 1.00 0.00 C ATOM 1633 CZ PHE A 102 16.704 6.540 2.214 1.00 0.00 C ATOM 0 H PHE A 102 18.796 2.879 5.919 1.00 0.00 H new ATOM 0 HA PHE A 102 16.207 2.122 4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 102 18.470 2.186 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 102 16.783 1.808 2.622 1.00 0.00 H new ATOM 0 HD1 PHE A 102 19.179 4.526 3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.142 3.559 2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.751 6.878 2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.711 5.910 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 102 16.515 7.574 1.964 1.00 0.00 H new ATOM 1643 N PRO A 103 17.034 -0.292 4.794 1.00 0.00 N ATOM 1644 CA PRO A 103 15.666 -0.140 4.290 1.00 0.00 C ATOM 1645 C PRO A 103 14.738 0.502 5.316 1.00 0.00 C ATOM 1646 O PRO A 103 15.002 0.461 6.518 1.00 0.00 O ATOM 1647 CB PRO A 103 15.232 -1.580 4.003 1.00 0.00 C ATOM 1648 CG PRO A 103 16.068 -2.415 4.910 1.00 0.00 C ATOM 1649 CD PRO A 103 17.386 -1.702 5.033 1.00 0.00 C ATOM 0 HA PRO A 103 15.623 0.514 3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.170 -1.721 4.202 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.398 -1.843 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.593 -2.528 5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.203 -3.417 4.503 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.829 -1.844 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 103 18.109 -2.065 4.303 1.00 0.00 H new ATOM 1657 N TYR A 104 13.650 1.093 4.835 1.00 0.00 N ATOM 1658 CA TYR A 104 12.684 1.745 5.710 1.00 0.00 C ATOM 1659 C TYR A 104 11.256 1.395 5.302 1.00 0.00 C ATOM 1660 O TYR A 104 10.924 1.374 4.117 1.00 0.00 O ATOM 1661 CB TYR A 104 12.878 3.262 5.679 1.00 0.00 C ATOM 1662 CG TYR A 104 12.055 3.999 6.711 1.00 0.00 C ATOM 1663 CD1 TYR A 104 10.680 4.130 6.568 1.00 0.00 C ATOM 1664 CD2 TYR A 104 12.654 4.565 7.830 1.00 0.00 C ATOM 1665 CE1 TYR A 104 9.924 4.803 7.508 1.00 0.00 C ATOM 1666 CE2 TYR A 104 11.907 5.239 8.776 1.00 0.00 C ATOM 1667 CZ TYR A 104 10.542 5.356 8.611 1.00 0.00 C ATOM 1668 OH TYR A 104 9.794 6.027 9.551 1.00 0.00 O ATOM 0 H TYR A 104 13.415 1.134 3.843 1.00 0.00 H new ATOM 0 HA TYR A 104 12.851 1.385 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.932 3.488 5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.619 3.633 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.193 3.698 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 104 13.722 4.476 7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 104 8.856 4.896 7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.389 5.672 9.640 1.00 0.00 H new ATOM 0 HH TYR A 104 10.381 6.354 10.264 1.00 0.00 H new ATOM 1678 N VAL A 105 10.414 1.121 6.294 1.00 0.00 N ATOM 1679 CA VAL A 105 9.021 0.774 6.040 1.00 0.00 C ATOM 1680 C VAL A 105 8.113 1.301 7.145 1.00 0.00 C ATOM 1681 O VAL A 105 8.447 1.224 8.327 1.00 0.00 O ATOM 1682 CB VAL A 105 8.835 -0.751 5.922 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.370 -1.095 5.705 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.695 -1.307 4.797 1.00 0.00 C ATOM 0 H VAL A 105 10.673 1.133 7.281 1.00 0.00 H new ATOM 0 HA VAL A 105 8.746 1.241 5.094 1.00 0.00 H new ATOM 0 HB VAL A 105 9.157 -1.212 6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.258 -2.176 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.782 -0.732 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.018 -0.624 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.551 -2.385 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.407 -0.841 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.744 -1.093 5.001 1.00 0.00 H new ATOM 1694 N SER A 106 6.962 1.837 6.752 1.00 0.00 N ATOM 1695 CA SER A 106 6.006 2.382 7.710 1.00 0.00 C ATOM 1696 C SER A 106 4.601 2.414 7.115 1.00 0.00 C ATOM 1697 O SER A 106 4.430 2.582 5.907 1.00 0.00 O ATOM 1698 CB SER A 106 6.424 3.790 8.136 1.00 0.00 C ATOM 1699 OG SER A 106 5.380 4.442 8.838 1.00 0.00 O ATOM 0 H SER A 106 6.669 1.906 5.778 1.00 0.00 H new ATOM 0 HA SER A 106 5.997 1.734 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.311 3.734 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.695 4.374 7.256 1.00 0.00 H new ATOM 0 HG SER A 106 5.211 3.974 9.682 1.00 0.00 H new ATOM 1705 N ILE A 107 3.599 2.254 7.973 1.00 0.00 N ATOM 1706 CA ILE A 107 2.209 2.266 7.534 1.00 0.00 C ATOM 1707 C ILE A 107 1.503 3.543 7.978 1.00 0.00 C ATOM 1708 O ILE A 107 1.443 3.850 9.170 1.00 0.00 O ATOM 1709 CB ILE A 107 1.436 1.050 8.078 1.00 0.00 C ATOM 1710 CG1 ILE A 107 2.098 -0.251 7.616 1.00 0.00 C ATOM 1711 CG2 ILE A 107 -0.016 1.100 7.628 1.00 0.00 C ATOM 1712 CD1 ILE A 107 1.613 -1.473 8.364 1.00 0.00 C ATOM 0 H ILE A 107 3.724 2.115 8.976 1.00 0.00 H new ATOM 0 HA ILE A 107 2.222 2.221 6.445 1.00 0.00 H new ATOM 0 HB ILE A 107 1.459 1.081 9.167 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.909 -0.388 6.551 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.177 -0.164 7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.549 0.234 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.481 2.012 8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.060 1.090 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.124 -2.358 7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.827 -1.358 9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.538 -1.585 8.220 1.00 0.00 H new ATOM 1724 N LEU A 108 0.969 4.283 7.013 1.00 0.00 N ATOM 1725 CA LEU A 108 0.264 5.526 7.304 1.00 0.00 C ATOM 1726 C LEU A 108 -1.246 5.326 7.235 1.00 0.00 C ATOM 1727 O LEU A 108 -1.724 4.289 6.775 1.00 0.00 O ATOM 1728 CB LEU A 108 0.690 6.619 6.321 1.00 0.00 C ATOM 1729 CG LEU A 108 1.880 7.480 6.749 1.00 0.00 C ATOM 1730 CD1 LEU A 108 3.188 6.750 6.488 1.00 0.00 C ATOM 1731 CD2 LEU A 108 1.858 8.817 6.024 1.00 0.00 C ATOM 0 H LEU A 108 1.011 4.044 6.022 1.00 0.00 H new ATOM 0 HA LEU A 108 0.525 5.833 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.932 6.149 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.163 7.275 6.146 1.00 0.00 H new ATOM 0 HG LEU A 108 1.802 7.669 7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 108 4.023 7.378 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.204 5.819 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.276 6.530 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.711 9.417 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.912 8.649 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.935 9.345 6.263 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.992 6.325 7.694 1.00 0.00 N ATOM 1744 CA ASP A 109 -3.448 6.260 7.682 1.00 0.00 C ATOM 1745 C ASP A 109 -4.032 7.322 6.755 1.00 0.00 C ATOM 1746 O ASP A 109 -3.772 8.517 6.899 1.00 0.00 O ATOM 1747 CB ASP A 109 -4.000 6.441 9.097 1.00 0.00 C ATOM 1748 CG ASP A 109 -5.465 6.064 9.199 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -6.183 6.195 8.187 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -5.893 5.638 10.293 1.00 0.00 O ATOM 0 H ASP A 109 -1.612 7.190 8.079 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.740 5.278 7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.422 5.831 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.873 7.479 9.404 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.839 6.879 5.780 1.00 0.00 N ATOM 1756 CA PRO A 110 -5.476 7.775 4.811 1.00 0.00 C ATOM 1757 C PRO A 110 -6.558 8.643 5.446 1.00 0.00 C ATOM 1758 O PRO A 110 -7.118 9.527 4.798 1.00 0.00 O ATOM 1759 CB PRO A 110 -6.092 6.814 3.791 1.00 0.00 C ATOM 1760 CG PRO A 110 -6.310 5.549 4.546 1.00 0.00 C ATOM 1761 CD PRO A 110 -5.194 5.468 5.550 1.00 0.00 C ATOM 0 HA PRO A 110 -4.765 8.479 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.029 7.205 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.427 6.658 2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.281 5.553 5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.297 4.688 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.516 4.979 6.470 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.348 4.898 5.165 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.846 8.384 6.717 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.861 9.141 7.440 1.00 0.00 C ATOM 1771 C ARG A 111 -7.222 10.242 8.281 1.00 0.00 C ATOM 1772 O ARG A 111 -7.631 11.402 8.221 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.680 8.211 8.336 1.00 0.00 C ATOM 1774 CG ARG A 111 -9.825 7.520 7.612 1.00 0.00 C ATOM 1775 CD ARG A 111 -11.107 8.334 7.694 1.00 0.00 C ATOM 1776 NE ARG A 111 -12.296 7.494 7.577 1.00 0.00 N ATOM 1777 CZ ARG A 111 -13.459 7.783 8.150 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -13.588 8.884 8.877 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -14.496 6.969 7.997 1.00 0.00 N ATOM 0 H ARG A 111 -6.391 7.656 7.268 1.00 0.00 H new ATOM 0 HA ARG A 111 -8.522 9.604 6.708 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -8.020 7.454 8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -9.083 8.786 9.170 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.556 7.366 6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.990 6.534 8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -11.135 8.872 8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -11.113 9.083 6.902 1.00 0.00 H new ATOM 0 HE ARG A 111 -12.230 6.639 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -12.793 9.512 8.997 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -14.482 9.103 9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.400 6.121 7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -15.389 7.192 8.437 1.00 0.00 H new ATOM 1793 N THR A 112 -6.215 9.871 9.066 1.00 0.00 N ATOM 1794 CA THR A 112 -5.520 10.826 9.921 1.00 0.00 C ATOM 1795 C THR A 112 -4.248 11.337 9.254 1.00 0.00 C ATOM 1796 O THR A 112 -3.955 12.531 9.286 1.00 0.00 O ATOM 1797 CB THR A 112 -5.158 10.202 11.282 1.00 0.00 C ATOM 1798 OG1 THR A 112 -4.253 9.108 11.094 1.00 0.00 O ATOM 1799 CG2 THR A 112 -6.406 9.715 12.003 1.00 0.00 C ATOM 0 H THR A 112 -5.862 8.916 9.127 1.00 0.00 H new ATOM 0 HA THR A 112 -6.202 11.660 10.083 1.00 0.00 H new ATOM 0 HB THR A 112 -4.680 10.968 11.892 1.00 0.00 H new ATOM 0 HG1 THR A 112 -4.272 8.528 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.125 9.278 12.961 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.081 10.555 12.170 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.908 8.963 11.394 1.00 0.00 H new ATOM 1807 N GLY A 113 -3.495 10.423 8.649 1.00 0.00 N ATOM 1808 CA GLY A 113 -2.263 10.801 7.982 1.00 0.00 C ATOM 1809 C GLY A 113 -1.082 10.852 8.931 1.00 0.00 C ATOM 1810 O GLY A 113 -0.219 11.722 8.812 1.00 0.00 O ATOM 0 H GLY A 113 -3.716 9.428 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.053 10.090 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.392 11.777 7.514 1.00 0.00 H new ATOM 1814 N GLN A 114 -1.044 9.919 9.877 1.00 0.00 N ATOM 1815 CA GLN A 114 0.039 9.863 10.852 1.00 0.00 C ATOM 1816 C GLN A 114 0.805 8.549 10.740 1.00 0.00 C ATOM 1817 O GLN A 114 0.441 7.670 9.959 1.00 0.00 O ATOM 1818 CB GLN A 114 -0.514 10.026 12.269 1.00 0.00 C ATOM 1819 CG GLN A 114 -1.276 8.809 12.768 1.00 0.00 C ATOM 1820 CD GLN A 114 -2.363 9.169 13.762 1.00 0.00 C ATOM 1821 OE1 GLN A 114 -2.520 10.333 14.133 1.00 0.00 O ATOM 1822 NE2 GLN A 114 -3.121 8.170 14.199 1.00 0.00 N ATOM 0 H GLN A 114 -1.750 9.192 9.989 1.00 0.00 H new ATOM 0 HA GLN A 114 0.727 10.682 10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 114 0.311 10.232 12.951 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -1.174 10.893 12.295 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.722 8.291 11.919 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -0.578 8.114 13.234 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -2.956 7.221 13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.868 8.352 14.869 1.00 0.00 H new ATOM 1831 N LYS A 115 1.869 8.422 11.525 1.00 0.00 N ATOM 1832 CA LYS A 115 2.688 7.215 11.516 1.00 0.00 C ATOM 1833 C LYS A 115 2.187 6.210 12.549 1.00 0.00 C ATOM 1834 O LYS A 115 2.333 6.419 13.754 1.00 0.00 O ATOM 1835 CB LYS A 115 4.151 7.565 11.796 1.00 0.00 C ATOM 1836 CG LYS A 115 5.139 6.602 11.161 1.00 0.00 C ATOM 1837 CD LYS A 115 6.564 7.119 11.260 1.00 0.00 C ATOM 1838 CE LYS A 115 7.237 6.657 12.543 1.00 0.00 C ATOM 1839 NZ LYS A 115 8.361 7.552 12.934 1.00 0.00 N ATOM 0 H LYS A 115 2.185 9.141 12.176 1.00 0.00 H new ATOM 0 HA LYS A 115 2.612 6.761 10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.351 8.572 11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.312 7.580 12.874 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.068 5.631 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.878 6.450 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.139 6.772 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 115 6.560 8.208 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.502 6.625 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.610 5.641 12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.793 7.203 13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.075 7.563 12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.001 8.516 13.084 1.00 0.00 H new ATOM 1853 N LEU A 116 1.599 5.120 12.070 1.00 0.00 N ATOM 1854 CA LEU A 116 1.078 4.082 12.952 1.00 0.00 C ATOM 1855 C LEU A 116 2.196 3.160 13.427 1.00 0.00 C ATOM 1856 O LEU A 116 2.467 3.061 14.624 1.00 0.00 O ATOM 1857 CB LEU A 116 0.001 3.267 12.232 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.137 4.068 11.600 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -2.038 3.159 10.779 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -1.940 4.791 12.672 1.00 0.00 C ATOM 0 H LEU A 116 1.471 4.932 11.076 1.00 0.00 H new ATOM 0 HA LEU A 116 0.637 4.567 13.823 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.481 2.678 11.451 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.429 2.562 12.944 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.704 4.814 10.934 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.842 3.747 10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.455 2.688 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.463 2.390 11.424 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.746 5.356 12.204 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.362 4.062 13.364 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.288 5.473 13.217 1.00 0.00 H new ATOM 1872 N VAL A 117 2.845 2.488 12.482 1.00 0.00 N ATOM 1873 CA VAL A 117 3.937 1.578 12.803 1.00 0.00 C ATOM 1874 C VAL A 117 5.210 1.959 12.056 1.00 0.00 C ATOM 1875 O VAL A 117 5.192 2.827 11.184 1.00 0.00 O ATOM 1876 CB VAL A 117 3.572 0.121 12.462 1.00 0.00 C ATOM 1877 CG1 VAL A 117 2.319 -0.306 13.211 1.00 0.00 C ATOM 1878 CG2 VAL A 117 3.387 -0.044 10.961 1.00 0.00 C ATOM 0 H VAL A 117 2.633 2.557 11.487 1.00 0.00 H new ATOM 0 HA VAL A 117 4.111 1.660 13.876 1.00 0.00 H new ATOM 0 HB VAL A 117 4.392 -0.524 12.778 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.077 -1.338 12.957 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.492 -0.227 14.284 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.488 0.341 12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.130 -1.079 10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.586 0.611 10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.313 0.218 10.449 1.00 0.00 H new ATOM 1888 N GLU A 118 6.313 1.304 12.404 1.00 0.00 N ATOM 1889 CA GLU A 118 7.596 1.576 11.765 1.00 0.00 C ATOM 1890 C GLU A 118 8.513 0.360 11.848 1.00 0.00 C ATOM 1891 O GLU A 118 8.872 -0.088 12.937 1.00 0.00 O ATOM 1892 CB GLU A 118 8.271 2.783 12.420 1.00 0.00 C ATOM 1893 CG GLU A 118 8.343 2.693 13.935 1.00 0.00 C ATOM 1894 CD GLU A 118 7.069 3.163 14.609 1.00 0.00 C ATOM 1895 OE1 GLU A 118 6.324 3.949 13.986 1.00 0.00 O ATOM 1896 OE2 GLU A 118 6.816 2.746 15.758 1.00 0.00 O ATOM 0 H GLU A 118 6.344 0.582 13.124 1.00 0.00 H new ATOM 0 HA GLU A 118 7.410 1.798 10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.281 2.884 12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.728 3.687 12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.543 1.662 14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.181 3.293 14.291 1.00 0.00 H new ATOM 1903 N TRP A 119 8.889 -0.170 10.689 1.00 0.00 N ATOM 1904 CA TRP A 119 9.764 -1.335 10.630 1.00 0.00 C ATOM 1905 C TRP A 119 10.956 -1.075 9.715 1.00 0.00 C ATOM 1906 O TRP A 119 10.803 -0.535 8.618 1.00 0.00 O ATOM 1907 CB TRP A 119 8.987 -2.558 10.140 1.00 0.00 C ATOM 1908 CG TRP A 119 7.738 -2.823 10.926 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.598 -2.768 12.283 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.456 -3.184 10.402 1.00 0.00 C ATOM 1911 NE1 TRP A 119 6.305 -3.075 12.634 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.585 -3.333 11.498 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.959 -3.395 9.113 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 4.246 -3.684 11.343 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.630 -3.744 8.960 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.786 -3.885 10.070 1.00 0.00 C ATOM 0 H TRP A 119 8.602 0.188 9.778 1.00 0.00 H new ATOM 0 HA TRP A 119 10.137 -1.529 11.636 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.725 -2.417 9.092 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.633 -3.434 10.192 1.00 0.00 H new ATOM 0 HD1 TRP A 119 8.387 -2.520 12.978 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.941 -3.106 13.586 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.602 -3.287 8.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.594 -3.794 12.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.236 -3.911 7.969 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.752 -4.158 9.918 1.00 0.00 H new ATOM 1927 N HIS A 120 12.143 -1.461 10.172 1.00 0.00 N ATOM 1928 CA HIS A 120 13.361 -1.270 9.393 1.00 0.00 C ATOM 1929 C HIS A 120 13.688 -2.518 8.579 1.00 0.00 C ATOM 1930 O HIS A 120 13.782 -2.464 7.353 1.00 0.00 O ATOM 1931 CB HIS A 120 14.532 -0.926 10.314 1.00 0.00 C ATOM 1932 CG HIS A 120 15.647 -0.206 9.621 1.00 0.00 C ATOM 1933 ND1 HIS A 120 15.487 1.019 9.009 1.00 0.00 N ATOM 1934 CD2 HIS A 120 16.946 -0.544 9.448 1.00 0.00 C ATOM 1935 CE1 HIS A 120 16.638 1.403 8.487 1.00 0.00 C ATOM 1936 NE2 HIS A 120 17.541 0.472 8.740 1.00 0.00 N ATOM 0 H HIS A 120 12.287 -1.908 11.078 1.00 0.00 H new ATOM 0 HA HIS A 120 13.195 -0.442 8.704 1.00 0.00 H new ATOM 0 HB2 HIS A 120 14.168 -0.310 11.136 1.00 0.00 H new ATOM 0 HB3 HIS A 120 14.921 -1.845 10.752 1.00 0.00 H new ATOM 0 HD2 HIS A 120 17.426 -1.445 9.801 1.00 0.00 H new ATOM 0 HE1 HIS A 120 16.811 2.321 7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 120 18.520 0.503 8.456 1.00 0.00 H new ATOM 1945 N GLN A 121 13.860 -3.641 9.270 1.00 0.00 N ATOM 1946 CA GLN A 121 14.177 -4.902 8.611 1.00 0.00 C ATOM 1947 C GLN A 121 13.023 -5.890 8.741 1.00 0.00 C ATOM 1948 O GLN A 121 12.619 -6.247 9.849 1.00 0.00 O ATOM 1949 CB GLN A 121 15.451 -5.506 9.206 1.00 0.00 C ATOM 1950 CG GLN A 121 15.753 -6.907 8.700 1.00 0.00 C ATOM 1951 CD GLN A 121 16.524 -7.738 9.707 1.00 0.00 C ATOM 1952 OE1 GLN A 121 16.867 -7.261 10.790 1.00 0.00 O ATOM 1953 NE2 GLN A 121 16.802 -8.988 9.355 1.00 0.00 N ATOM 0 H GLN A 121 13.785 -3.703 10.285 1.00 0.00 H new ATOM 0 HA GLN A 121 14.339 -4.699 7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 121 16.294 -4.855 8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 121 15.358 -5.533 10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.817 -7.412 8.459 1.00 0.00 H new ATOM 0 HG3 GLN A 121 16.326 -6.839 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 121 16.498 -9.342 8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.319 -9.594 9.992 1.00 0.00 H new ATOM 1962 N LEU A 122 12.495 -6.327 7.604 1.00 0.00 N ATOM 1963 CA LEU A 122 11.385 -7.275 7.590 1.00 0.00 C ATOM 1964 C LEU A 122 11.722 -8.496 6.740 1.00 0.00 C ATOM 1965 O LEU A 122 12.665 -8.472 5.948 1.00 0.00 O ATOM 1966 CB LEU A 122 10.120 -6.601 7.056 1.00 0.00 C ATOM 1967 CG LEU A 122 9.291 -5.823 8.078 1.00 0.00 C ATOM 1968 CD1 LEU A 122 8.387 -4.819 7.380 1.00 0.00 C ATOM 1969 CD2 LEU A 122 8.471 -6.775 8.936 1.00 0.00 C ATOM 0 H LEU A 122 12.817 -6.041 6.679 1.00 0.00 H new ATOM 0 HA LEU A 122 11.209 -7.606 8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.406 -5.919 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.485 -7.367 6.610 1.00 0.00 H new ATOM 0 HG LEU A 122 9.973 -5.276 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 122 7.805 -4.275 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 122 8.995 -4.116 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.712 -5.345 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.887 -6.203 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.799 -7.351 8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.139 -7.454 9.466 1.00 0.00 H new ATOM 1981 N ASP A 123 10.945 -9.560 6.907 1.00 0.00 N ATOM 1982 CA ASP A 123 11.158 -10.789 6.153 1.00 0.00 C ATOM 1983 C ASP A 123 9.830 -11.381 5.692 1.00 0.00 C ATOM 1984 O ASP A 123 8.761 -10.918 6.088 1.00 0.00 O ATOM 1985 CB ASP A 123 11.917 -11.809 7.004 1.00 0.00 C ATOM 1986 CG ASP A 123 13.126 -11.205 7.692 1.00 0.00 C ATOM 1987 OD1 ASP A 123 12.941 -10.292 8.524 1.00 0.00 O ATOM 1988 OD2 ASP A 123 14.257 -11.644 7.397 1.00 0.00 O ATOM 0 H ASP A 123 10.161 -9.596 7.559 1.00 0.00 H new ATOM 0 HA ASP A 123 11.753 -10.547 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.244 -12.223 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.238 -12.637 6.372 1.00 0.00 H new ATOM 1993 N VAL A 124 9.907 -12.407 4.850 1.00 0.00 N ATOM 1994 CA VAL A 124 8.711 -13.063 4.333 1.00 0.00 C ATOM 1995 C VAL A 124 7.785 -13.490 5.467 1.00 0.00 C ATOM 1996 O VAL A 124 6.630 -13.071 5.530 1.00 0.00 O ATOM 1997 CB VAL A 124 9.070 -14.298 3.486 1.00 0.00 C ATOM 1998 CG1 VAL A 124 7.809 -15.014 3.026 1.00 0.00 C ATOM 1999 CG2 VAL A 124 9.928 -13.896 2.296 1.00 0.00 C ATOM 0 H VAL A 124 10.784 -12.802 4.511 1.00 0.00 H new ATOM 0 HA VAL A 124 8.198 -12.336 3.703 1.00 0.00 H new ATOM 0 HB VAL A 124 9.646 -14.987 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 124 8.082 -15.884 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.236 -15.336 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.205 -14.336 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.173 -14.781 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.380 -13.188 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.848 -13.431 2.651 1.00 0.00 H new ATOM 2009 N SER A 125 8.302 -14.326 6.362 1.00 0.00 N ATOM 2010 CA SER A 125 7.520 -14.812 7.493 1.00 0.00 C ATOM 2011 C SER A 125 7.308 -13.707 8.523 1.00 0.00 C ATOM 2012 O SER A 125 6.185 -13.457 8.960 1.00 0.00 O ATOM 2013 CB SER A 125 8.219 -16.006 8.147 1.00 0.00 C ATOM 2014 OG SER A 125 7.525 -16.431 9.307 1.00 0.00 O ATOM 0 H SER A 125 9.258 -14.680 6.326 1.00 0.00 H new ATOM 0 HA SER A 125 6.546 -15.128 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.282 -16.829 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.241 -15.733 8.410 1.00 0.00 H new ATOM 0 HG SER A 125 7.991 -17.196 9.705 1.00 0.00 H new ATOM 2020 N SER A 126 8.397 -13.048 8.907 1.00 0.00 N ATOM 2021 CA SER A 126 8.332 -11.971 9.888 1.00 0.00 C ATOM 2022 C SER A 126 7.229 -10.979 9.534 1.00 0.00 C ATOM 2023 O SER A 126 6.425 -10.596 10.385 1.00 0.00 O ATOM 2024 CB SER A 126 9.677 -11.247 9.972 1.00 0.00 C ATOM 2025 OG SER A 126 9.630 -10.190 10.915 1.00 0.00 O ATOM 0 H SER A 126 9.334 -13.241 8.554 1.00 0.00 H new ATOM 0 HA SER A 126 8.103 -12.411 10.859 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.457 -11.954 10.253 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.943 -10.852 8.991 1.00 0.00 H new ATOM 0 HG SER A 126 10.502 -9.744 10.951 1.00 0.00 H new ATOM 2031 N PHE A 127 7.196 -10.565 8.272 1.00 0.00 N ATOM 2032 CA PHE A 127 6.193 -9.617 7.804 1.00 0.00 C ATOM 2033 C PHE A 127 4.788 -10.086 8.169 1.00 0.00 C ATOM 2034 O PHE A 127 4.075 -9.421 8.922 1.00 0.00 O ATOM 2035 CB PHE A 127 6.303 -9.432 6.289 1.00 0.00 C ATOM 2036 CG PHE A 127 5.389 -8.370 5.746 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.715 -7.029 5.869 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.205 -8.713 5.115 1.00 0.00 C ATOM 2039 CE1 PHE A 127 4.877 -6.049 5.371 1.00 0.00 C ATOM 2040 CE2 PHE A 127 3.363 -7.738 4.614 1.00 0.00 C ATOM 2041 CZ PHE A 127 3.699 -6.404 4.743 1.00 0.00 C ATOM 0 H PHE A 127 7.853 -10.872 7.555 1.00 0.00 H new ATOM 0 HA PHE A 127 6.377 -8.661 8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.332 -9.178 6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.078 -10.379 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.635 -6.746 6.360 1.00 0.00 H new ATOM 0 HD2 PHE A 127 3.936 -9.754 5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 127 5.143 -5.007 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.443 -8.019 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.042 -5.640 4.354 1.00 0.00 H new ATOM 2051 N LEU A 128 4.396 -11.236 7.632 1.00 0.00 N ATOM 2052 CA LEU A 128 3.076 -11.796 7.901 1.00 0.00 C ATOM 2053 C LEU A 128 2.795 -11.833 9.400 1.00 0.00 C ATOM 2054 O LEU A 128 1.732 -11.409 9.853 1.00 0.00 O ATOM 2055 CB LEU A 128 2.969 -13.205 7.315 1.00 0.00 C ATOM 2056 CG LEU A 128 3.245 -13.331 5.816 1.00 0.00 C ATOM 2057 CD1 LEU A 128 3.629 -14.760 5.463 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.031 -12.889 5.012 1.00 0.00 C ATOM 0 H LEU A 128 4.973 -11.799 7.008 1.00 0.00 H new ATOM 0 HA LEU A 128 2.333 -11.155 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 128 3.665 -13.852 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 128 1.966 -13.584 7.513 1.00 0.00 H new ATOM 0 HG LEU A 128 4.081 -12.679 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 128 3.822 -14.831 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.527 -15.042 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 128 2.814 -15.432 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.245 -12.985 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.177 -13.516 5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.800 -11.849 5.243 1.00 0.00 H new ATOM 2070 N ASP A 129 3.756 -12.342 10.164 1.00 0.00 N ATOM 2071 CA ASP A 129 3.614 -12.431 11.612 1.00 0.00 C ATOM 2072 C ASP A 129 3.201 -11.086 12.202 1.00 0.00 C ATOM 2073 O ASP A 129 2.277 -11.011 13.011 1.00 0.00 O ATOM 2074 CB ASP A 129 4.924 -12.900 12.247 1.00 0.00 C ATOM 2075 CG ASP A 129 4.725 -13.458 13.642 1.00 0.00 C ATOM 2076 OD1 ASP A 129 4.129 -14.549 13.765 1.00 0.00 O ATOM 2077 OD2 ASP A 129 5.165 -12.805 14.610 1.00 0.00 O ATOM 0 H ASP A 129 4.641 -12.699 9.804 1.00 0.00 H new ATOM 0 HA ASP A 129 2.832 -13.159 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.378 -13.663 11.615 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.623 -12.065 12.289 1.00 0.00 H new ATOM 2082 N GLN A 130 3.892 -10.029 11.791 1.00 0.00 N ATOM 2083 CA GLN A 130 3.598 -8.687 12.281 1.00 0.00 C ATOM 2084 C GLN A 130 2.290 -8.168 11.693 1.00 0.00 C ATOM 2085 O GLN A 130 1.340 -7.883 12.422 1.00 0.00 O ATOM 2086 CB GLN A 130 4.742 -7.732 11.933 1.00 0.00 C ATOM 2087 CG GLN A 130 6.043 -8.055 12.649 1.00 0.00 C ATOM 2088 CD GLN A 130 6.136 -7.401 14.014 1.00 0.00 C ATOM 2089 OE1 GLN A 130 5.952 -8.054 15.042 1.00 0.00 O ATOM 2090 NE2 GLN A 130 6.424 -6.105 14.031 1.00 0.00 N ATOM 0 H GLN A 130 4.659 -10.075 11.120 1.00 0.00 H new ATOM 0 HA GLN A 130 3.494 -8.738 13.365 1.00 0.00 H new ATOM 0 HB2 GLN A 130 4.913 -7.760 10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 130 4.443 -6.714 12.182 1.00 0.00 H new ATOM 0 HG2 GLN A 130 6.133 -9.135 12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 130 6.882 -7.727 12.035 1.00 0.00 H new ATOM 0 HE21 GLN A 130 6.569 -5.603 13.155 1.00 0.00 H new ATOM 0 HE22 GLN A 130 6.501 -5.611 14.920 1.00 0.00 H new ATOM 2099 N VAL A 131 2.248 -8.047 10.370 1.00 0.00 N ATOM 2100 CA VAL A 131 1.056 -7.562 9.684 1.00 0.00 C ATOM 2101 C VAL A 131 -0.206 -8.186 10.269 1.00 0.00 C ATOM 2102 O VAL A 131 -1.084 -7.485 10.772 1.00 0.00 O ATOM 2103 CB VAL A 131 1.115 -7.866 8.175 1.00 0.00 C ATOM 2104 CG1 VAL A 131 -0.178 -7.442 7.494 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.313 -7.178 7.539 1.00 0.00 C ATOM 0 H VAL A 131 3.026 -8.278 9.752 1.00 0.00 H new ATOM 0 HA VAL A 131 1.024 -6.482 9.828 1.00 0.00 H new ATOM 0 HB VAL A 131 1.231 -8.942 8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.118 -7.664 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.015 -7.986 7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.328 -6.371 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.339 -7.404 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.231 -6.100 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.229 -7.536 8.008 1.00 0.00 H new ATOM 2115 N THR A 132 -0.291 -9.511 10.199 1.00 0.00 N ATOM 2116 CA THR A 132 -1.446 -10.231 10.721 1.00 0.00 C ATOM 2117 C THR A 132 -1.882 -9.668 12.069 1.00 0.00 C ATOM 2118 O THR A 132 -3.060 -9.383 12.282 1.00 0.00 O ATOM 2119 CB THR A 132 -1.148 -11.734 10.877 1.00 0.00 C ATOM 2120 OG1 THR A 132 -0.059 -11.926 11.787 1.00 0.00 O ATOM 2121 CG2 THR A 132 -0.809 -12.361 9.533 1.00 0.00 C ATOM 0 H THR A 132 0.426 -10.107 9.786 1.00 0.00 H new ATOM 0 HA THR A 132 -2.252 -10.101 9.999 1.00 0.00 H new ATOM 0 HB THR A 132 -2.040 -12.220 11.272 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.789 -11.790 11.315 1.00 0.00 H new ATOM 0 HG21 THR A 132 -0.602 -13.423 9.669 1.00 0.00 H new ATOM 0 HG22 THR A 132 -1.651 -12.239 8.852 1.00 0.00 H new ATOM 0 HG23 THR A 132 0.070 -11.871 9.114 1.00 0.00 H new ATOM 2129 N GLY A 133 -0.924 -9.511 12.977 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.229 -8.982 14.293 1.00 0.00 C ATOM 2131 C GLY A 133 -1.922 -7.635 14.231 1.00 0.00 C ATOM 2132 O GLY A 133 -3.060 -7.492 14.679 1.00 0.00 O ATOM 0 H GLY A 133 0.058 -9.741 12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -1.864 -9.689 14.827 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.306 -8.886 14.865 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.234 -6.643 13.675 1.00 0.00 N ATOM 2137 CA PHE A 134 -1.789 -5.300 13.557 1.00 0.00 C ATOM 2138 C PHE A 134 -3.279 -5.353 13.232 1.00 0.00 C ATOM 2139 O PHE A 134 -4.105 -4.797 13.957 1.00 0.00 O ATOM 2140 CB PHE A 134 -1.047 -4.511 12.476 1.00 0.00 C ATOM 2141 CG PHE A 134 -1.529 -3.096 12.329 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -2.810 -2.830 11.873 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -0.701 -2.032 12.648 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -3.255 -1.529 11.736 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -1.142 -0.728 12.514 1.00 0.00 C ATOM 2146 CZ PHE A 134 -2.421 -0.477 12.058 1.00 0.00 C ATOM 0 H PHE A 134 -0.291 -6.744 13.299 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.662 -4.797 14.515 1.00 0.00 H new ATOM 0 HB2 PHE A 134 0.017 -4.501 12.711 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -1.158 -5.025 11.521 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -3.468 -3.649 11.622 1.00 0.00 H new ATOM 0 HD2 PHE A 134 0.300 -2.223 13.005 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -4.255 -1.335 11.377 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -0.487 0.093 12.766 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.768 0.540 11.953 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.615 -6.025 12.137 1.00 0.00 N ATOM 2157 CA LEU A 135 -5.005 -6.152 11.713 1.00 0.00 C ATOM 2158 C LEU A 135 -5.840 -6.844 12.786 1.00 0.00 C ATOM 2159 O LEU A 135 -6.904 -6.358 13.168 1.00 0.00 O ATOM 2160 CB LEU A 135 -5.091 -6.934 10.402 1.00 0.00 C ATOM 2161 CG LEU A 135 -4.214 -6.423 9.257 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -4.027 -7.504 8.204 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -4.822 -5.172 8.638 1.00 0.00 C ATOM 0 H LEU A 135 -2.944 -6.491 11.526 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.404 -5.150 11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.824 -7.971 10.603 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.128 -6.931 10.068 1.00 0.00 H new ATOM 0 HG LEU A 135 -3.235 -6.166 9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.401 -7.122 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.548 -8.373 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -4.998 -7.793 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.185 -4.822 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.813 -5.404 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -4.903 -4.393 9.396 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.349 -7.980 13.270 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.061 -8.719 14.296 1.00 0.00 C ATOM 2177 C GLY A 136 -6.380 -7.867 15.509 1.00 0.00 C ATOM 2178 O GLY A 136 -7.437 -8.019 16.121 1.00 0.00 O ATOM 0 H GLY A 136 -4.470 -8.402 12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.988 -9.113 13.879 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -5.461 -9.575 14.605 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.464 -6.969 15.857 1.00 0.00 N ATOM 2183 CA GLU A 137 -5.653 -6.092 17.006 1.00 0.00 C ATOM 2184 C GLU A 137 -6.540 -4.904 16.644 1.00 0.00 C ATOM 2185 O GLU A 137 -7.621 -4.728 17.208 1.00 0.00 O ATOM 2186 CB GLU A 137 -4.301 -5.594 17.524 1.00 0.00 C ATOM 2187 CG GLU A 137 -4.367 -4.996 18.919 1.00 0.00 C ATOM 2188 CD GLU A 137 -5.347 -3.842 19.013 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -5.103 -2.801 18.368 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -6.358 -3.981 19.733 1.00 0.00 O ATOM 0 H GLU A 137 -4.584 -6.830 15.360 1.00 0.00 H new ATOM 0 HA GLU A 137 -6.146 -6.666 17.791 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.594 -6.424 17.527 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.911 -4.845 16.835 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.655 -5.771 19.629 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.375 -4.650 19.209 1.00 0.00 H new ATOM 2197 N HIS A 138 -6.075 -4.092 15.700 1.00 0.00 N ATOM 2198 CA HIS A 138 -6.826 -2.921 15.262 1.00 0.00 C ATOM 2199 C HIS A 138 -7.784 -3.281 14.130 1.00 0.00 C ATOM 2200 O HIS A 138 -9.001 -3.177 14.277 1.00 0.00 O ATOM 2201 CB HIS A 138 -5.870 -1.818 14.805 1.00 0.00 C ATOM 2202 CG HIS A 138 -4.724 -1.593 15.742 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -4.682 -0.549 16.642 1.00 0.00 N ATOM 2204 CD2 HIS A 138 -3.574 -2.285 15.917 1.00 0.00 C ATOM 2205 CE1 HIS A 138 -3.555 -0.608 17.329 1.00 0.00 C ATOM 2206 NE2 HIS A 138 -2.865 -1.653 16.908 1.00 0.00 N ATOM 0 H HIS A 138 -5.182 -4.223 15.224 1.00 0.00 H new ATOM 0 HA HIS A 138 -7.411 -2.558 16.107 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.479 -2.073 13.820 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.427 -0.888 14.696 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -3.271 -3.170 15.377 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -3.250 0.081 18.103 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -1.953 -1.943 17.262 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.225 -3.705 13.001 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.044 -4.073 11.861 1.00 0.00 C ATOM 2217 C GLY A 139 -7.695 -3.282 10.616 1.00 0.00 C ATOM 2218 O GLY A 139 -6.560 -2.835 10.455 1.00 0.00 O ATOM 0 H GLY A 139 -6.220 -3.800 12.855 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.921 -5.137 11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.094 -3.914 12.106 1.00 0.00 H new ATOM 2222 N GLN A 140 -8.674 -3.108 9.733 1.00 0.00 N ATOM 2223 CA GLN A 140 -8.463 -2.366 8.496 1.00 0.00 C ATOM 2224 C GLN A 140 -8.620 -0.867 8.726 1.00 0.00 C ATOM 2225 O GLN A 140 -7.652 -0.111 8.645 1.00 0.00 O ATOM 2226 CB GLN A 140 -9.446 -2.835 7.422 1.00 0.00 C ATOM 2227 CG GLN A 140 -9.048 -2.426 6.013 1.00 0.00 C ATOM 2228 CD GLN A 140 -9.760 -3.236 4.947 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -10.279 -4.319 5.217 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -9.788 -2.714 3.726 1.00 0.00 N ATOM 0 H GLN A 140 -9.620 -3.471 9.852 1.00 0.00 H new ATOM 0 HA GLN A 140 -7.445 -2.558 8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -9.529 -3.921 7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -10.434 -2.431 7.644 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -9.270 -1.369 5.869 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -7.971 -2.544 5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -9.345 -1.813 3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -10.253 -3.214 2.968 1.00 0.00 H new ATOM 2239 N LEU A 141 -9.846 -0.443 9.014 1.00 0.00 N ATOM 2240 CA LEU A 141 -10.131 0.967 9.256 1.00 0.00 C ATOM 2241 C LEU A 141 -11.360 1.129 10.145 1.00 0.00 C ATOM 2242 O LEU A 141 -12.047 0.156 10.455 1.00 0.00 O ATOM 2243 CB LEU A 141 -10.347 1.699 7.930 1.00 0.00 C ATOM 2244 CG LEU A 141 -9.081 2.098 7.170 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -9.425 2.548 5.759 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -8.336 3.196 7.915 1.00 0.00 C ATOM 0 H LEU A 141 -10.658 -1.056 9.086 1.00 0.00 H new ATOM 0 HA LEU A 141 -9.274 1.403 9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -10.951 1.064 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -10.928 2.600 8.126 1.00 0.00 H new ATOM 0 HG LEU A 141 -8.431 1.226 7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -8.512 2.828 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -9.915 1.733 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -10.095 3.406 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -7.438 3.467 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -8.980 4.070 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -8.056 2.838 8.906 1.00 0.00 H new