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 -172:sc= 0.352 USER MOD Set 1.2: A 114 GLN : amide:sc= -0.282 K(o=0.07,f=-2.6!) USER MOD Set 2.1: A 93 TYR OH : rot 180:sc= -0.0775 USER MOD Set 2.2: A 97 TYR OH : rot 11:sc= -0.33 USER MOD Set 3.1: A 50 GLN : amide:sc= -4.44! C(o=-9.4!,f=-9.5!) USER MOD Set 3.2: A 82 GLN :FLIP amide:sc= -4.94! C(o=-10!,f=-9.4!) USER MOD Set 4.1: A 77 HIS : no HD1:sc= -0.638 K(o=-0.69,f=-2.2) USER MOD Set 4.2: A 140 GLN : amide:sc= -0.0526 X(o=-0.69,f=-0.6) USER MOD Set 5.1: A 41 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Set 5.2: A 43 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= -0.472 (180deg=-2.25!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0864 USER MOD Single : A 39 GLN : amide:sc= 0.98 K(o=0.98,f=-0.26) USER MOD Single : A 40 MET CE :methyl 153:sc= -0.104 (180deg=-0.576) USER MOD Single : A 42 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.89) USER MOD Single : A 46 MET CE :methyl -145:sc= -0.139 (180deg=-0.325) USER MOD Single : A 48 ASN : amide:sc= -2.72 K(o=-2.7,f=-3.9!) USER MOD Single : A 51 ASN : amide:sc= -2! C(o=-2!,f=-9.2!) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.57 F(o=-4.2!,f=-2.6) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -3.87! C(o=-3.9!,f=-5.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -0.879 K(o=-0.88,f=-2.8) USER MOD Single : A 87 SER OG : rot -96:sc= 1.64 USER MOD Single : A 91 GLN : amide:sc= 0.104 K(o=0.1,f=-0.4) USER MOD Single : A 95 GLN : amide:sc= -0.955 K(o=-0.95,f=-4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 165:sc= 0.0221 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.28) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) 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= -6.81! C(o=-6.8!,f=-7.5!) USER MOD Single : A 132 THR OG1 : rot -113:sc= 1.2 USER MOD Single : A 138 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.0023) USER MOD ----------------------------------------------------------------- ATOM 445 N PHE A 31 1.799 10.964 -4.705 1.00 0.00 N ATOM 446 CA PHE A 31 1.895 10.743 -3.267 1.00 0.00 C ATOM 447 C PHE A 31 0.616 11.184 -2.562 1.00 0.00 C ATOM 448 O PHE A 31 0.051 10.443 -1.759 1.00 0.00 O ATOM 449 CB PHE A 31 3.094 11.499 -2.692 1.00 0.00 C ATOM 450 CG PHE A 31 3.032 11.677 -1.202 1.00 0.00 C ATOM 451 CD1 PHE A 31 3.040 10.578 -0.359 1.00 0.00 C ATOM 452 CD2 PHE A 31 2.966 12.944 -0.645 1.00 0.00 C ATOM 453 CE1 PHE A 31 2.983 10.739 1.013 1.00 0.00 C ATOM 454 CE2 PHE A 31 2.910 13.111 0.726 1.00 0.00 C ATOM 455 CZ PHE A 31 2.917 12.007 1.556 1.00 0.00 C ATOM 0 HA PHE A 31 2.033 9.675 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.008 10.963 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.156 12.479 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.091 9.584 -0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.958 13.811 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.990 9.874 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.861 14.104 1.148 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.871 12.135 2.627 1.00 0.00 H new ATOM 465 N GLU A 32 0.165 12.396 -2.870 1.00 0.00 N ATOM 466 CA GLU A 32 -1.046 12.937 -2.265 1.00 0.00 C ATOM 467 C GLU A 32 -2.212 11.964 -2.419 1.00 0.00 C ATOM 468 O GLU A 32 -3.000 11.769 -1.493 1.00 0.00 O ATOM 469 CB GLU A 32 -1.404 14.282 -2.900 1.00 0.00 C ATOM 470 CG GLU A 32 -2.708 14.870 -2.388 1.00 0.00 C ATOM 471 CD GLU A 32 -2.987 16.250 -2.951 1.00 0.00 C ATOM 472 OE1 GLU A 32 -3.398 16.338 -4.127 1.00 0.00 O ATOM 473 OE2 GLU A 32 -2.794 17.241 -2.216 1.00 0.00 O ATOM 0 H GLU A 32 0.620 13.022 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.855 13.085 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.597 14.990 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.471 14.157 -3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.530 14.203 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.675 14.926 -1.300 1.00 0.00 H new ATOM 480 N THR A 33 -2.315 11.355 -3.596 1.00 0.00 N ATOM 481 CA THR A 33 -3.384 10.404 -3.873 1.00 0.00 C ATOM 482 C THR A 33 -3.370 9.254 -2.872 1.00 0.00 C ATOM 483 O THR A 33 -4.382 8.959 -2.237 1.00 0.00 O ATOM 484 CB THR A 33 -3.271 9.830 -5.298 1.00 0.00 C ATOM 485 OG1 THR A 33 -3.064 10.891 -6.238 1.00 0.00 O ATOM 486 CG2 THR A 33 -4.525 9.053 -5.670 1.00 0.00 C ATOM 0 H THR A 33 -1.671 11.504 -4.373 1.00 0.00 H new ATOM 0 HA THR A 33 -4.323 10.950 -3.783 1.00 0.00 H new ATOM 0 HB THR A 33 -2.420 9.149 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.991 10.518 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.422 8.657 -6.680 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.663 8.229 -4.970 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.390 9.715 -5.626 1.00 0.00 H new ATOM 494 N ALA A 34 -2.217 8.608 -2.736 1.00 0.00 N ATOM 495 CA ALA A 34 -2.071 7.492 -1.810 1.00 0.00 C ATOM 496 C ALA A 34 -2.864 7.734 -0.530 1.00 0.00 C ATOM 497 O ALA A 34 -3.340 6.792 0.105 1.00 0.00 O ATOM 498 CB ALA A 34 -0.602 7.262 -1.487 1.00 0.00 C ATOM 0 H ALA A 34 -1.370 8.838 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.470 6.599 -2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.508 6.426 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.059 7.036 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.185 8.160 -1.030 1.00 0.00 H new ATOM 504 N LYS A 35 -3.001 9.001 -0.155 1.00 0.00 N ATOM 505 CA LYS A 35 -3.737 9.367 1.050 1.00 0.00 C ATOM 506 C LYS A 35 -5.241 9.347 0.796 1.00 0.00 C ATOM 507 O LYS A 35 -5.999 8.745 1.556 1.00 0.00 O ATOM 508 CB LYS A 35 -3.309 10.756 1.531 1.00 0.00 C ATOM 509 CG LYS A 35 -2.144 10.730 2.504 1.00 0.00 C ATOM 510 CD LYS A 35 -1.798 12.125 2.997 1.00 0.00 C ATOM 511 CE LYS A 35 -1.239 12.989 1.877 1.00 0.00 C ATOM 512 NZ LYS A 35 -2.315 13.720 1.152 1.00 0.00 N ATOM 0 H LYS A 35 -2.612 9.792 -0.668 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.507 8.634 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.037 11.362 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.159 11.244 2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.393 10.094 3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.274 10.288 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.689 12.597 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.068 12.056 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.528 13.705 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.689 12.363 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.455 13.291 0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.200 13.663 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.042 14.717 1.039 1.00 0.00 H new ATOM 526 N GLU A 36 -5.665 10.007 -0.278 1.00 0.00 N ATOM 527 CA GLU A 36 -7.078 10.062 -0.631 1.00 0.00 C ATOM 528 C GLU A 36 -7.622 8.667 -0.923 1.00 0.00 C ATOM 529 O GLU A 36 -8.689 8.290 -0.438 1.00 0.00 O ATOM 530 CB GLU A 36 -7.288 10.968 -1.846 1.00 0.00 C ATOM 531 CG GLU A 36 -7.131 10.250 -3.175 1.00 0.00 C ATOM 532 CD GLU A 36 -7.337 11.169 -4.363 1.00 0.00 C ATOM 533 OE1 GLU A 36 -7.056 12.379 -4.232 1.00 0.00 O ATOM 534 OE2 GLU A 36 -7.779 10.680 -5.423 1.00 0.00 O ATOM 0 H GLU A 36 -5.050 10.510 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.622 10.474 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.285 11.405 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.576 11.792 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.136 9.809 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.847 9.429 -3.227 1.00 0.00 H new ATOM 541 N CYS A 37 -6.880 7.905 -1.719 1.00 0.00 N ATOM 542 CA CYS A 37 -7.287 6.551 -2.079 1.00 0.00 C ATOM 543 C CYS A 37 -7.640 5.741 -0.835 1.00 0.00 C ATOM 544 O CYS A 37 -8.710 5.139 -0.758 1.00 0.00 O ATOM 545 CB CYS A 37 -6.172 5.851 -2.858 1.00 0.00 C ATOM 546 SG CYS A 37 -6.560 4.150 -3.333 1.00 0.00 S ATOM 0 H CYS A 37 -5.994 8.201 -2.127 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.173 6.620 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.954 6.427 -3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.266 5.850 -2.253 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.558 3.643 -3.988 1.00 0.00 H new ATOM 552 N GLY A 38 -6.732 5.730 0.136 1.00 0.00 N ATOM 553 CA GLY A 38 -6.965 4.990 1.362 1.00 0.00 C ATOM 554 C GLY A 38 -8.367 5.191 1.902 1.00 0.00 C ATOM 555 O GLY A 38 -8.982 4.256 2.413 1.00 0.00 O ATOM 0 H GLY A 38 -5.839 6.221 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.798 3.928 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.241 5.302 2.114 1.00 0.00 H new ATOM 559 N GLN A 39 -8.872 6.416 1.791 1.00 0.00 N ATOM 560 CA GLN A 39 -10.210 6.736 2.276 1.00 0.00 C ATOM 561 C GLN A 39 -11.275 6.044 1.432 1.00 0.00 C ATOM 562 O GLN A 39 -11.985 5.161 1.913 1.00 0.00 O ATOM 563 CB GLN A 39 -10.432 8.250 2.258 1.00 0.00 C ATOM 564 CG GLN A 39 -9.504 9.012 3.190 1.00 0.00 C ATOM 565 CD GLN A 39 -9.274 10.442 2.744 1.00 0.00 C ATOM 566 OE1 GLN A 39 -10.137 11.054 2.112 1.00 0.00 O ATOM 567 NE2 GLN A 39 -8.107 10.985 3.071 1.00 0.00 N ATOM 0 H GLN A 39 -8.376 7.202 1.370 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.294 6.375 3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.294 8.617 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.465 8.461 2.535 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.925 9.012 4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.546 8.494 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.421 10.442 3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.897 11.945 2.798 1.00 0.00 H new ATOM 576 N MET A 40 -11.381 6.452 0.171 1.00 0.00 N ATOM 577 CA MET A 40 -12.360 5.870 -0.740 1.00 0.00 C ATOM 578 C MET A 40 -12.401 4.352 -0.596 1.00 0.00 C ATOM 579 O MET A 40 -13.465 3.769 -0.386 1.00 0.00 O ATOM 580 CB MET A 40 -12.031 6.248 -2.185 1.00 0.00 C ATOM 581 CG MET A 40 -12.176 7.733 -2.473 1.00 0.00 C ATOM 582 SD MET A 40 -13.876 8.206 -2.843 1.00 0.00 S ATOM 583 CE MET A 40 -14.394 8.873 -1.264 1.00 0.00 C ATOM 0 H MET A 40 -10.802 7.183 -0.243 1.00 0.00 H new ATOM 0 HA MET A 40 -13.341 6.268 -0.482 1.00 0.00 H new ATOM 0 HB2 MET A 40 -11.009 5.941 -2.408 1.00 0.00 H new ATOM 0 HB3 MET A 40 -12.685 5.691 -2.856 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.824 8.302 -1.613 1.00 0.00 H new ATOM 0 HG3 MET A 40 -11.537 8.000 -3.315 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.181 9.611 -1.421 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.772 8.067 -0.635 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.544 9.348 -0.773 1.00 0.00 H new ATOM 593 N GLN A 41 -11.238 3.719 -0.710 1.00 0.00 N ATOM 594 CA GLN A 41 -11.144 2.269 -0.593 1.00 0.00 C ATOM 595 C GLN A 41 -11.169 1.838 0.869 1.00 0.00 C ATOM 596 O GLN A 41 -11.450 0.681 1.181 1.00 0.00 O ATOM 597 CB GLN A 41 -9.865 1.764 -1.264 1.00 0.00 C ATOM 598 CG GLN A 41 -9.729 2.195 -2.715 1.00 0.00 C ATOM 599 CD GLN A 41 -8.877 1.240 -3.530 1.00 0.00 C ATOM 600 OE1 GLN A 41 -7.646 1.018 -3.085 1.00 0.00 O flip ATOM 601 NE2 GLN A 41 -9.321 0.709 -4.548 1.00 0.00 N flip ATOM 0 H GLN A 41 -10.348 4.187 -0.883 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.007 1.833 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.003 2.126 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.843 0.675 -1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.720 2.265 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.290 3.192 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.274 0.909 -4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.736 0.069 -5.086 1.00 0.00 H new ATOM 610 N ASN A 42 -10.874 2.776 1.763 1.00 0.00 N ATOM 611 CA ASN A 42 -10.862 2.493 3.194 1.00 0.00 C ATOM 612 C ASN A 42 -9.802 1.448 3.532 1.00 0.00 C ATOM 613 O ASN A 42 -10.058 0.511 4.288 1.00 0.00 O ATOM 614 CB ASN A 42 -12.238 2.005 3.650 1.00 0.00 C ATOM 615 CG ASN A 42 -13.308 3.069 3.495 1.00 0.00 C ATOM 616 OD1 ASN A 42 -13.842 3.274 2.405 1.00 0.00 O ATOM 617 ND2 ASN A 42 -13.626 3.751 4.589 1.00 0.00 N ATOM 0 H ASN A 42 -10.640 3.739 1.522 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.619 3.416 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.518 1.124 3.072 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.184 1.697 4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.339 4.479 4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.157 3.547 5.472 1.00 0.00 H new ATOM 624 N LYS A 43 -8.611 1.618 2.968 1.00 0.00 N ATOM 625 CA LYS A 43 -7.511 0.692 3.211 1.00 0.00 C ATOM 626 C LYS A 43 -6.287 1.430 3.745 1.00 0.00 C ATOM 627 O LYS A 43 -6.138 2.634 3.538 1.00 0.00 O ATOM 628 CB LYS A 43 -7.150 -0.052 1.923 1.00 0.00 C ATOM 629 CG LYS A 43 -8.283 -0.901 1.374 1.00 0.00 C ATOM 630 CD LYS A 43 -8.158 -1.093 -0.129 1.00 0.00 C ATOM 631 CE LYS A 43 -9.351 -1.847 -0.695 1.00 0.00 C ATOM 632 NZ LYS A 43 -9.270 -1.982 -2.176 1.00 0.00 N ATOM 0 H LYS A 43 -8.383 2.388 2.340 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.835 -0.029 3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.851 0.673 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.287 -0.691 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.283 -1.873 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.238 -0.428 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.076 -0.121 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.242 -1.639 -0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.403 -2.837 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.270 -1.326 -0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.759 -2.850 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.721 -1.160 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.272 -2.031 -2.466 1.00 0.00 H new ATOM 646 N TRP A 44 -5.414 0.699 4.429 1.00 0.00 N ATOM 647 CA TRP A 44 -4.202 1.285 4.990 1.00 0.00 C ATOM 648 C TRP A 44 -3.251 1.732 3.886 1.00 0.00 C ATOM 649 O TRP A 44 -3.461 1.427 2.711 1.00 0.00 O ATOM 650 CB TRP A 44 -3.503 0.280 5.907 1.00 0.00 C ATOM 651 CG TRP A 44 -4.257 0.006 7.173 1.00 0.00 C ATOM 652 CD1 TRP A 44 -4.674 -1.211 7.631 1.00 0.00 C ATOM 653 CD2 TRP A 44 -4.684 0.969 8.142 1.00 0.00 C ATOM 654 NE1 TRP A 44 -5.336 -1.062 8.826 1.00 0.00 N ATOM 655 CE2 TRP A 44 -5.355 0.266 9.161 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.564 2.358 8.248 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -5.903 0.905 10.270 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -5.109 2.991 9.349 1.00 0.00 C ATOM 659 CH2 TRP A 44 -5.771 2.265 10.349 1.00 0.00 C ATOM 0 H TRP A 44 -5.523 -0.299 4.608 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.488 2.161 5.573 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.362 -0.656 5.367 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.511 0.656 6.158 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -4.508 -2.152 7.128 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.747 -1.818 9.374 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.055 2.926 7.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.414 0.347 11.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.023 4.064 9.441 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.185 2.789 11.198 1.00 0.00 H new ATOM 670 N LEU A 45 -2.204 2.455 4.269 1.00 0.00 N ATOM 671 CA LEU A 45 -1.220 2.943 3.309 1.00 0.00 C ATOM 672 C LEU A 45 0.165 2.382 3.617 1.00 0.00 C ATOM 673 O LEU A 45 0.733 2.650 4.675 1.00 0.00 O ATOM 674 CB LEU A 45 -1.178 4.472 3.326 1.00 0.00 C ATOM 675 CG LEU A 45 0.036 5.118 2.656 1.00 0.00 C ATOM 676 CD1 LEU A 45 0.118 4.709 1.193 1.00 0.00 C ATOM 677 CD2 LEU A 45 -0.027 6.633 2.785 1.00 0.00 C ATOM 0 H LEU A 45 -2.015 2.716 5.237 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.517 2.604 2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.078 4.846 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.215 4.805 4.363 1.00 0.00 H new ATOM 0 HG LEU A 45 0.936 4.767 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.988 5.178 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.210 3.625 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.785 5.031 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.845 7.076 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.934 7.002 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.037 6.908 3.840 1.00 0.00 H new ATOM 689 N MET A 46 0.703 1.605 2.683 1.00 0.00 N ATOM 690 CA MET A 46 2.024 1.009 2.853 1.00 0.00 C ATOM 691 C MET A 46 3.007 1.564 1.828 1.00 0.00 C ATOM 692 O MET A 46 2.847 1.354 0.625 1.00 0.00 O ATOM 693 CB MET A 46 1.940 -0.514 2.726 1.00 0.00 C ATOM 694 CG MET A 46 3.085 -1.244 3.408 1.00 0.00 C ATOM 695 SD MET A 46 3.029 -1.101 5.204 1.00 0.00 S ATOM 696 CE MET A 46 2.405 -2.718 5.654 1.00 0.00 C ATOM 0 H MET A 46 0.246 1.373 1.801 1.00 0.00 H new ATOM 0 HA MET A 46 2.385 1.263 3.850 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.997 -0.855 3.153 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.927 -0.782 1.670 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.055 -2.298 3.130 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.032 -0.845 3.045 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.756 -2.628 6.525 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.838 -3.134 4.821 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.240 -3.377 5.890 1.00 0.00 H new ATOM 706 N ILE A 47 4.023 2.271 2.311 1.00 0.00 N ATOM 707 CA ILE A 47 5.031 2.854 1.435 1.00 0.00 C ATOM 708 C ILE A 47 6.392 2.202 1.652 1.00 0.00 C ATOM 709 O ILE A 47 6.744 1.837 2.773 1.00 0.00 O ATOM 710 CB ILE A 47 5.160 4.373 1.658 1.00 0.00 C ATOM 711 CG1 ILE A 47 3.813 5.061 1.428 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.223 4.955 0.738 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.729 6.443 2.037 1.00 0.00 C ATOM 0 H ILE A 47 4.170 2.454 3.304 1.00 0.00 H new ATOM 0 HA ILE A 47 4.703 2.672 0.412 1.00 0.00 H new ATOM 0 HB ILE A 47 5.464 4.549 2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.629 5.133 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.021 4.440 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.302 6.029 0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.183 4.483 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.946 4.771 -0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.747 6.871 1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.881 6.376 3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.499 7.080 1.601 1.00 0.00 H new ATOM 725 N ASN A 48 7.154 2.061 0.573 1.00 0.00 N ATOM 726 CA ASN A 48 8.478 1.454 0.646 1.00 0.00 C ATOM 727 C ASN A 48 9.469 2.202 -0.241 1.00 0.00 C ATOM 728 O ASN A 48 9.374 2.160 -1.468 1.00 0.00 O ATOM 729 CB ASN A 48 8.412 -0.017 0.227 1.00 0.00 C ATOM 730 CG ASN A 48 9.668 -0.781 0.598 1.00 0.00 C ATOM 731 OD1 ASN A 48 9.646 -1.645 1.475 1.00 0.00 O ATOM 732 ND2 ASN A 48 10.772 -0.464 -0.069 1.00 0.00 N ATOM 0 H ASN A 48 6.878 2.359 -0.363 1.00 0.00 H new ATOM 0 HA ASN A 48 8.822 1.516 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.550 -0.488 0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.258 -0.078 -0.850 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.648 -0.943 0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.744 0.259 -0.788 1.00 0.00 H new ATOM 739 N ILE A 49 10.419 2.884 0.389 1.00 0.00 N ATOM 740 CA ILE A 49 11.429 3.640 -0.342 1.00 0.00 C ATOM 741 C ILE A 49 12.590 2.745 -0.760 1.00 0.00 C ATOM 742 O ILE A 49 13.350 2.265 0.081 1.00 0.00 O ATOM 743 CB ILE A 49 11.974 4.811 0.498 1.00 0.00 C ATOM 744 CG1 ILE A 49 10.832 5.734 0.926 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.021 5.584 -0.289 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.165 6.447 -0.230 1.00 0.00 C ATOM 0 H ILE A 49 10.511 2.929 1.404 1.00 0.00 H new ATOM 0 HA ILE A 49 10.942 4.038 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 49 12.446 4.408 1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.084 5.149 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.218 6.475 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.397 6.408 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.845 4.919 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.573 5.979 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.365 7.084 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.900 7.059 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.749 5.712 -0.919 1.00 0.00 H new ATOM 758 N GLN A 50 12.722 2.526 -2.064 1.00 0.00 N ATOM 759 CA GLN A 50 13.793 1.689 -2.593 1.00 0.00 C ATOM 760 C GLN A 50 15.089 2.482 -2.726 1.00 0.00 C ATOM 761 O GLN A 50 15.082 3.712 -2.688 1.00 0.00 O ATOM 762 CB GLN A 50 13.392 1.111 -3.952 1.00 0.00 C ATOM 763 CG GLN A 50 12.366 -0.006 -3.860 1.00 0.00 C ATOM 764 CD GLN A 50 12.217 -0.771 -5.160 1.00 0.00 C ATOM 765 OE1 GLN A 50 12.081 -0.177 -6.230 1.00 0.00 O ATOM 766 NE2 GLN A 50 12.242 -2.095 -5.075 1.00 0.00 N ATOM 0 H GLN A 50 12.101 2.916 -2.773 1.00 0.00 H new ATOM 0 HA GLN A 50 13.961 0.871 -1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.990 1.911 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.283 0.734 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.656 -0.696 -3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.401 0.415 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.357 -2.546 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.146 -2.662 -5.917 1.00 0.00 H new ATOM 775 N ASN A 51 16.199 1.769 -2.883 1.00 0.00 N ATOM 776 CA ASN A 51 17.504 2.407 -3.021 1.00 0.00 C ATOM 777 C ASN A 51 18.192 1.965 -4.308 1.00 0.00 C ATOM 778 O ASN A 51 18.083 0.809 -4.718 1.00 0.00 O ATOM 779 CB ASN A 51 18.387 2.074 -1.817 1.00 0.00 C ATOM 780 CG ASN A 51 17.842 2.648 -0.523 1.00 0.00 C ATOM 781 OD1 ASN A 51 17.404 1.910 0.360 1.00 0.00 O ATOM 782 ND2 ASN A 51 17.867 3.970 -0.406 1.00 0.00 N ATOM 0 H ASN A 51 16.222 0.750 -2.918 1.00 0.00 H new ATOM 0 HA ASN A 51 17.351 3.485 -3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 51 18.475 0.992 -1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 51 19.391 2.461 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.514 4.414 0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 51 18.239 4.542 -1.164 1.00 0.00 H new ATOM 789 N VAL A 52 18.902 2.893 -4.942 1.00 0.00 N ATOM 790 CA VAL A 52 19.610 2.599 -6.183 1.00 0.00 C ATOM 791 C VAL A 52 21.010 2.065 -5.903 1.00 0.00 C ATOM 792 O VAL A 52 21.606 1.390 -6.742 1.00 0.00 O ATOM 793 CB VAL A 52 19.718 3.848 -7.077 1.00 0.00 C ATOM 794 CG1 VAL A 52 18.335 4.341 -7.476 1.00 0.00 C ATOM 795 CG2 VAL A 52 20.499 4.945 -6.368 1.00 0.00 C ATOM 0 H VAL A 52 19.002 3.855 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 52 19.031 1.837 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 52 20.257 3.577 -7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.432 5.224 -8.107 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.814 3.557 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.767 4.595 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 52 20.566 5.820 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 52 19.989 5.215 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 52 21.502 4.587 -6.138 1.00 0.00 H new ATOM 892 N CYS A 59 17.264 -7.859 -2.726 1.00 0.00 N ATOM 893 CA CYS A 59 17.104 -9.170 -2.108 1.00 0.00 C ATOM 894 C CYS A 59 15.769 -9.267 -1.376 1.00 0.00 C ATOM 895 O CYS A 59 15.099 -10.299 -1.419 1.00 0.00 O ATOM 896 CB CYS A 59 18.253 -9.442 -1.136 1.00 0.00 C ATOM 897 SG CYS A 59 18.282 -11.128 -0.481 1.00 0.00 S ATOM 0 HA CYS A 59 17.120 -9.921 -2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 59 19.198 -9.244 -1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.184 -8.741 -0.304 1.00 0.00 H new ATOM 0 HG CYS A 59 19.290 -11.261 0.329 1.00 0.00 H new ATOM 903 N LEU A 60 15.389 -8.185 -0.705 1.00 0.00 N ATOM 904 CA LEU A 60 14.134 -8.148 0.038 1.00 0.00 C ATOM 905 C LEU A 60 12.946 -8.386 -0.888 1.00 0.00 C ATOM 906 O LEU A 60 12.261 -9.402 -0.785 1.00 0.00 O ATOM 907 CB LEU A 60 13.980 -6.802 0.749 1.00 0.00 C ATOM 908 CG LEU A 60 14.572 -6.714 2.156 1.00 0.00 C ATOM 909 CD1 LEU A 60 15.042 -5.298 2.450 1.00 0.00 C ATOM 910 CD2 LEU A 60 13.554 -7.167 3.193 1.00 0.00 C ATOM 0 H LEU A 60 15.931 -7.322 -0.660 1.00 0.00 H new ATOM 0 HA LEU A 60 14.156 -8.945 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.445 -6.033 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.918 -6.564 0.808 1.00 0.00 H new ATOM 0 HG LEU A 60 15.434 -7.379 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.460 -5.255 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.805 -5.010 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.198 -4.612 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.993 -7.098 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.672 -6.529 3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.267 -8.200 2.994 1.00 0.00 H new ATOM 922 N ASN A 61 12.709 -7.442 -1.793 1.00 0.00 N ATOM 923 CA ASN A 61 11.604 -7.550 -2.739 1.00 0.00 C ATOM 924 C ASN A 61 11.674 -8.864 -3.510 1.00 0.00 C ATOM 925 O ASN A 61 10.689 -9.300 -4.104 1.00 0.00 O ATOM 926 CB ASN A 61 11.624 -6.371 -3.715 1.00 0.00 C ATOM 927 CG ASN A 61 10.467 -6.413 -4.694 1.00 0.00 C ATOM 928 OD1 ASN A 61 10.509 -7.364 -5.620 1.00 0.00 O flip ATOM 929 ND2 ASN A 61 9.546 -5.599 -4.619 1.00 0.00 N flip ATOM 0 H ASN A 61 13.267 -6.594 -1.891 1.00 0.00 H new ATOM 0 HA ASN A 61 10.672 -7.530 -2.174 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.588 -5.437 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.564 -6.375 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.555 -4.885 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.774 -5.639 -5.285 1.00 0.00 H new ATOM 936 N ARG A 62 12.846 -9.491 -3.494 1.00 0.00 N ATOM 937 CA ARG A 62 13.045 -10.756 -4.191 1.00 0.00 C ATOM 938 C ARG A 62 11.888 -11.713 -3.923 1.00 0.00 C ATOM 939 O ARG A 62 11.173 -12.112 -4.842 1.00 0.00 O ATOM 940 CB ARG A 62 14.364 -11.399 -3.759 1.00 0.00 C ATOM 941 CG ARG A 62 14.891 -12.430 -4.743 1.00 0.00 C ATOM 942 CD ARG A 62 16.405 -12.547 -4.672 1.00 0.00 C ATOM 943 NE ARG A 62 16.961 -13.192 -5.858 1.00 0.00 N ATOM 944 CZ ARG A 62 18.141 -13.802 -5.878 1.00 0.00 C ATOM 945 NH1 ARG A 62 18.885 -13.850 -4.782 1.00 0.00 N ATOM 946 NH2 ARG A 62 18.578 -14.367 -6.996 1.00 0.00 N ATOM 0 H ARG A 62 13.672 -9.144 -3.006 1.00 0.00 H new ATOM 0 HA ARG A 62 13.082 -10.550 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.113 -10.618 -3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.226 -11.874 -2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.440 -13.400 -4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.594 -12.154 -5.755 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.840 -11.554 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.683 -13.117 -3.786 1.00 0.00 H new ATOM 0 HE ARG A 62 16.413 -13.173 -6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 62 18.552 -13.418 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 62 19.791 -14.319 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.008 -14.333 -7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.484 -14.835 -7.010 1.00 0.00 H new ATOM 960 N ASP A 63 11.711 -12.079 -2.658 1.00 0.00 N ATOM 961 CA ASP A 63 10.641 -12.989 -2.268 1.00 0.00 C ATOM 962 C ASP A 63 9.670 -12.307 -1.309 1.00 0.00 C ATOM 963 O ASP A 63 8.461 -12.528 -1.372 1.00 0.00 O ATOM 964 CB ASP A 63 11.223 -14.245 -1.617 1.00 0.00 C ATOM 965 CG ASP A 63 12.106 -15.032 -2.565 1.00 0.00 C ATOM 966 OD1 ASP A 63 12.966 -14.413 -3.226 1.00 0.00 O ATOM 967 OD2 ASP A 63 11.937 -16.267 -2.646 1.00 0.00 O ATOM 0 H ASP A 63 12.295 -11.759 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 63 10.095 -13.275 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.801 -13.960 -0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.409 -14.882 -1.270 1.00 0.00 H new ATOM 972 N VAL A 64 10.209 -11.479 -0.419 1.00 0.00 N ATOM 973 CA VAL A 64 9.391 -10.765 0.553 1.00 0.00 C ATOM 974 C VAL A 64 8.244 -10.027 -0.129 1.00 0.00 C ATOM 975 O VAL A 64 7.078 -10.385 0.034 1.00 0.00 O ATOM 976 CB VAL A 64 10.230 -9.755 1.359 1.00 0.00 C ATOM 977 CG1 VAL A 64 9.355 -9.005 2.352 1.00 0.00 C ATOM 978 CG2 VAL A 64 11.374 -10.461 2.070 1.00 0.00 C ATOM 0 H VAL A 64 11.208 -11.287 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 64 8.984 -11.513 1.233 1.00 0.00 H new ATOM 0 HB VAL A 64 10.656 -9.029 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.965 -8.296 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.574 -8.466 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.898 -9.714 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.956 -9.733 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.972 -11.211 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.015 -10.947 1.334 1.00 0.00 H new ATOM 988 N TRP A 65 8.584 -8.995 -0.894 1.00 0.00 N ATOM 989 CA TRP A 65 7.583 -8.206 -1.602 1.00 0.00 C ATOM 990 C TRP A 65 7.192 -8.875 -2.915 1.00 0.00 C ATOM 991 O TRP A 65 6.609 -8.242 -3.795 1.00 0.00 O ATOM 992 CB TRP A 65 8.111 -6.796 -1.871 1.00 0.00 C ATOM 993 CG TRP A 65 8.733 -6.156 -0.667 1.00 0.00 C ATOM 994 CD1 TRP A 65 10.007 -5.675 -0.561 1.00 0.00 C ATOM 995 CD2 TRP A 65 8.109 -5.928 0.601 1.00 0.00 C ATOM 996 NE1 TRP A 65 10.213 -5.162 0.697 1.00 0.00 N ATOM 997 CE2 TRP A 65 9.064 -5.304 1.429 1.00 0.00 C ATOM 998 CE3 TRP A 65 6.837 -6.187 1.117 1.00 0.00 C ATOM 999 CZ2 TRP A 65 8.784 -4.939 2.743 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 6.561 -5.825 2.422 1.00 0.00 C ATOM 1001 CH2 TRP A 65 7.530 -5.206 3.222 1.00 0.00 C ATOM 0 H TRP A 65 9.545 -8.686 -1.039 1.00 0.00 H new ATOM 0 HA TRP A 65 6.696 -8.140 -0.971 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.848 -6.838 -2.673 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.292 -6.170 -2.224 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.744 -5.695 -1.350 1.00 0.00 H new ATOM 0 HE1 TRP A 65 11.081 -4.743 1.032 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.083 -6.662 0.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 9.530 -4.462 3.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.582 -6.023 2.832 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.283 -4.934 4.237 1.00 0.00 H new ATOM 1012 N SER A 66 7.516 -10.158 -3.041 1.00 0.00 N ATOM 1013 CA SER A 66 7.202 -10.911 -4.249 1.00 0.00 C ATOM 1014 C SER A 66 6.142 -11.972 -3.967 1.00 0.00 C ATOM 1015 O SER A 66 5.336 -12.306 -4.835 1.00 0.00 O ATOM 1016 CB SER A 66 8.464 -11.571 -4.807 1.00 0.00 C ATOM 1017 OG SER A 66 8.375 -11.736 -6.212 1.00 0.00 O ATOM 0 H SER A 66 7.996 -10.698 -2.321 1.00 0.00 H new ATOM 0 HA SER A 66 6.807 -10.215 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.335 -10.962 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.611 -12.541 -4.332 1.00 0.00 H new ATOM 0 HG SER A 66 9.194 -12.158 -6.544 1.00 0.00 H new ATOM 1023 N ASN A 67 6.150 -12.498 -2.747 1.00 0.00 N ATOM 1024 CA ASN A 67 5.190 -13.522 -2.349 1.00 0.00 C ATOM 1025 C ASN A 67 3.759 -13.033 -2.549 1.00 0.00 C ATOM 1026 O ASN A 67 3.266 -12.200 -1.789 1.00 0.00 O ATOM 1027 CB ASN A 67 5.408 -13.914 -0.886 1.00 0.00 C ATOM 1028 CG ASN A 67 5.020 -15.354 -0.610 1.00 0.00 C ATOM 1029 OD1 ASN A 67 3.837 -15.688 -0.542 1.00 0.00 O ATOM 1030 ND2 ASN A 67 6.018 -16.214 -0.448 1.00 0.00 N ATOM 0 H ASN A 67 6.810 -12.232 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 67 5.347 -14.397 -2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.456 -13.766 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.824 -13.254 -0.245 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.819 -17.196 -0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.984 -15.893 -0.513 1.00 0.00 H new ATOM 1037 N GLU A 68 3.098 -13.557 -3.576 1.00 0.00 N ATOM 1038 CA GLU A 68 1.723 -13.173 -3.875 1.00 0.00 C ATOM 1039 C GLU A 68 0.951 -12.875 -2.594 1.00 0.00 C ATOM 1040 O GLU A 68 0.335 -11.818 -2.459 1.00 0.00 O ATOM 1041 CB GLU A 68 1.021 -14.281 -4.662 1.00 0.00 C ATOM 1042 CG GLU A 68 -0.493 -14.150 -4.678 1.00 0.00 C ATOM 1043 CD GLU A 68 -1.115 -14.722 -5.938 1.00 0.00 C ATOM 1044 OE1 GLU A 68 -0.533 -14.532 -7.026 1.00 0.00 O ATOM 1045 OE2 GLU A 68 -2.183 -15.361 -5.834 1.00 0.00 O ATOM 0 H GLU A 68 3.492 -14.248 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 68 1.749 -12.268 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.389 -14.275 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.289 -15.246 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.907 -14.661 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.764 -13.098 -4.589 1.00 0.00 H new ATOM 1052 N ALA A 69 0.988 -13.816 -1.655 1.00 0.00 N ATOM 1053 CA ALA A 69 0.293 -13.654 -0.384 1.00 0.00 C ATOM 1054 C ALA A 69 0.507 -12.256 0.185 1.00 0.00 C ATOM 1055 O ALA A 69 -0.443 -11.591 0.599 1.00 0.00 O ATOM 1056 CB ALA A 69 0.759 -14.708 0.610 1.00 0.00 C ATOM 0 H ALA A 69 1.492 -14.698 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.774 -13.785 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.232 -14.575 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.548 -15.701 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.831 -14.604 0.775 1.00 0.00 H new ATOM 1062 N VAL A 70 1.760 -11.815 0.203 1.00 0.00 N ATOM 1063 CA VAL A 70 2.099 -10.495 0.721 1.00 0.00 C ATOM 1064 C VAL A 70 1.572 -9.394 -0.192 1.00 0.00 C ATOM 1065 O VAL A 70 1.222 -8.306 0.266 1.00 0.00 O ATOM 1066 CB VAL A 70 3.622 -10.328 0.881 1.00 0.00 C ATOM 1067 CG1 VAL A 70 3.958 -8.925 1.364 1.00 0.00 C ATOM 1068 CG2 VAL A 70 4.174 -11.376 1.836 1.00 0.00 C ATOM 0 H VAL A 70 2.558 -12.353 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 70 1.627 -10.409 1.700 1.00 0.00 H new ATOM 0 HB VAL A 70 4.091 -10.473 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.038 -8.826 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.597 -8.195 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.480 -8.748 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.251 -11.244 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.701 -11.264 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.966 -12.371 1.444 1.00 0.00 H new ATOM 1078 N LYS A 71 1.518 -9.683 -1.488 1.00 0.00 N ATOM 1079 CA LYS A 71 1.032 -8.720 -2.468 1.00 0.00 C ATOM 1080 C LYS A 71 -0.465 -8.478 -2.297 1.00 0.00 C ATOM 1081 O LYS A 71 -0.904 -7.340 -2.136 1.00 0.00 O ATOM 1082 CB LYS A 71 1.320 -9.215 -3.887 1.00 0.00 C ATOM 1083 CG LYS A 71 2.797 -9.220 -4.241 1.00 0.00 C ATOM 1084 CD LYS A 71 3.019 -9.565 -5.704 1.00 0.00 C ATOM 1085 CE LYS A 71 4.282 -8.912 -6.245 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.292 -8.872 -7.734 1.00 0.00 N ATOM 0 H LYS A 71 1.805 -10.578 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 71 1.556 -7.778 -2.305 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.925 -10.225 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.787 -8.584 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.226 -8.241 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.320 -9.941 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.090 -10.647 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.160 -9.239 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.362 -7.898 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.155 -9.460 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.169 -8.420 -8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.241 -9.841 -8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.473 -8.327 -8.072 1.00 0.00 H new ATOM 1100 N ASN A 72 -1.242 -9.555 -2.333 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.689 -9.459 -2.181 1.00 0.00 C ATOM 1102 C ASN A 72 -3.054 -8.729 -0.892 1.00 0.00 C ATOM 1103 O ASN A 72 -4.099 -8.084 -0.807 1.00 0.00 O ATOM 1104 CB ASN A 72 -3.317 -10.855 -2.184 1.00 0.00 C ATOM 1105 CG ASN A 72 -3.436 -11.438 -0.789 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -4.081 -10.860 0.085 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -2.811 -12.591 -0.575 1.00 0.00 N ATOM 0 H ASN A 72 -0.894 -10.505 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.080 -8.889 -3.024 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.306 -10.805 -2.639 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.715 -11.520 -2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.855 -13.032 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.287 -13.035 -1.329 1.00 0.00 H new ATOM 1114 N ILE A 73 -2.184 -8.833 0.107 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.413 -8.181 1.390 1.00 0.00 C ATOM 1116 C ILE A 73 -2.020 -6.709 1.337 1.00 0.00 C ATOM 1117 O ILE A 73 -2.755 -5.842 1.811 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.626 -8.870 2.521 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -2.057 -10.332 2.655 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.828 -8.130 3.834 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -1.067 -11.187 3.414 1.00 0.00 C ATOM 0 H ILE A 73 -1.314 -9.363 0.052 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.480 -8.263 1.599 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.565 -8.845 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.022 -10.373 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.200 -10.753 1.660 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.266 -8.629 4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.476 -7.104 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.887 -8.126 4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.438 -12.210 3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.107 -11.177 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.942 -10.791 4.422 1.00 0.00 H new ATOM 1133 N ILE A 74 -0.858 -6.433 0.754 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.369 -5.065 0.636 1.00 0.00 C ATOM 1135 C ILE A 74 -1.176 -4.280 -0.392 1.00 0.00 C ATOM 1136 O ILE A 74 -1.138 -3.049 -0.419 1.00 0.00 O ATOM 1137 CB ILE A 74 1.118 -5.031 0.239 1.00 0.00 C ATOM 1138 CG1 ILE A 74 1.989 -5.525 1.396 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.525 -3.624 -0.174 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.396 -5.891 0.980 1.00 0.00 C ATOM 0 H ILE A 74 -0.238 -7.139 0.356 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.485 -4.603 1.616 1.00 0.00 H new ATOM 0 HB ILE A 74 1.266 -5.695 -0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.035 -4.751 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.515 -6.395 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.579 -3.617 -0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.923 -3.306 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.365 -2.940 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.956 -6.232 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.360 -6.687 0.237 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.888 -5.017 0.552 1.00 0.00 H new ATOM 1152 N ARG A 75 -1.908 -4.999 -1.237 1.00 0.00 N ATOM 1153 CA ARG A 75 -2.726 -4.370 -2.267 1.00 0.00 C ATOM 1154 C ARG A 75 -4.175 -4.240 -1.807 1.00 0.00 C ATOM 1155 O ARG A 75 -4.851 -3.263 -2.125 1.00 0.00 O ATOM 1156 CB ARG A 75 -2.661 -5.179 -3.564 1.00 0.00 C ATOM 1157 CG ARG A 75 -3.467 -6.468 -3.518 1.00 0.00 C ATOM 1158 CD ARG A 75 -4.889 -6.253 -4.010 1.00 0.00 C ATOM 1159 NE ARG A 75 -5.778 -7.339 -3.605 1.00 0.00 N ATOM 1160 CZ ARG A 75 -6.903 -7.644 -4.242 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -7.275 -6.948 -5.308 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -7.659 -8.646 -3.813 1.00 0.00 N ATOM 0 H ARG A 75 -1.951 -6.018 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.331 -3.371 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.024 -4.562 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.620 -5.419 -3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.979 -7.226 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.488 -6.849 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.269 -5.309 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.888 -6.171 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.521 -7.893 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.697 -6.176 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.139 -7.184 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.377 -9.183 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.523 -8.879 -4.303 1.00 0.00 H new ATOM 1176 N GLU A 76 -4.644 -5.233 -1.058 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.013 -5.229 -0.556 1.00 0.00 C ATOM 1178 C GLU A 76 -6.106 -4.469 0.764 1.00 0.00 C ATOM 1179 O GLU A 76 -6.784 -3.445 0.857 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.515 -6.662 -0.369 1.00 0.00 C ATOM 1181 CG GLU A 76 -7.933 -6.745 0.171 1.00 0.00 C ATOM 1182 CD GLU A 76 -8.409 -8.174 0.344 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -8.670 -8.841 -0.679 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -8.520 -8.625 1.503 1.00 0.00 O ATOM 0 H GLU A 76 -4.097 -6.050 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.641 -4.725 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.469 -7.182 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.845 -7.187 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.983 -6.231 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.607 -6.221 -0.507 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.422 -4.979 1.783 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.427 -4.349 3.099 1.00 0.00 C ATOM 1193 C HIS A 77 -4.708 -3.004 3.060 1.00 0.00 C ATOM 1194 O HIS A 77 -5.099 -2.059 3.746 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.765 -5.265 4.129 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.682 -6.319 4.669 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -6.792 -6.031 5.434 1.00 0.00 N ATOM 1198 CD2 HIS A 77 -5.648 -7.667 4.550 1.00 0.00 C ATOM 1199 CE1 HIS A 77 -7.401 -7.156 5.764 1.00 0.00 C ATOM 1200 NE2 HIS A 77 -6.727 -8.164 5.239 1.00 0.00 N ATOM 0 H HIS A 77 -4.857 -5.826 1.723 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.464 -4.179 3.389 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.900 -5.746 3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.393 -4.660 4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.910 -8.244 4.013 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.297 -7.238 6.361 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -6.969 -9.151 5.331 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.654 -2.925 2.255 1.00 0.00 N ATOM 1210 CA PHE A 78 -2.879 -1.696 2.128 1.00 0.00 C ATOM 1211 C PHE A 78 -2.792 -1.256 0.670 1.00 0.00 C ATOM 1212 O PHE A 78 -3.263 -1.953 -0.229 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.473 -1.894 2.697 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.461 -2.516 4.065 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.797 -3.849 4.237 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.116 -1.767 5.178 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.787 -4.425 5.493 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.104 -2.337 6.437 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.441 -3.667 6.595 1.00 0.00 C ATOM 0 H PHE A 78 -3.317 -3.697 1.681 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.387 -0.916 2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.899 -2.523 2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.968 -0.929 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.070 -4.445 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.853 -0.726 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.049 -5.466 5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.831 -1.743 7.297 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.434 -4.114 7.578 1.00 0.00 H new ATOM 1229 N ILE A 79 -2.187 -0.095 0.444 1.00 0.00 N ATOM 1230 CA ILE A 79 -2.038 0.439 -0.904 1.00 0.00 C ATOM 1231 C ILE A 79 -0.587 0.366 -1.367 1.00 0.00 C ATOM 1232 O ILE A 79 0.259 1.140 -0.917 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.519 1.899 -0.988 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -3.967 2.011 -0.504 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.390 2.418 -2.413 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -4.974 1.437 -1.476 1.00 0.00 C ATOM 0 H ILE A 79 -1.792 0.494 1.177 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.657 -0.177 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.891 2.511 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.063 1.497 0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.202 3.060 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.734 3.451 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.347 2.369 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.997 1.805 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.979 1.550 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.906 1.967 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.764 0.379 -1.635 1.00 0.00 H new ATOM 1248 N PHE A 80 -0.305 -0.567 -2.270 1.00 0.00 N ATOM 1249 CA PHE A 80 1.044 -0.740 -2.795 1.00 0.00 C ATOM 1250 C PHE A 80 1.536 0.539 -3.465 1.00 0.00 C ATOM 1251 O PHE A 80 1.037 0.930 -4.520 1.00 0.00 O ATOM 1252 CB PHE A 80 1.081 -1.899 -3.794 1.00 0.00 C ATOM 1253 CG PHE A 80 2.465 -2.236 -4.270 1.00 0.00 C ATOM 1254 CD1 PHE A 80 3.383 -2.824 -3.414 1.00 0.00 C ATOM 1255 CD2 PHE A 80 2.848 -1.967 -5.574 1.00 0.00 C ATOM 1256 CE1 PHE A 80 4.657 -3.134 -3.850 1.00 0.00 C ATOM 1257 CE2 PHE A 80 4.121 -2.275 -6.016 1.00 0.00 C ATOM 1258 CZ PHE A 80 5.026 -2.861 -5.153 1.00 0.00 C ATOM 0 H PHE A 80 -0.993 -1.215 -2.654 1.00 0.00 H new ATOM 0 HA PHE A 80 1.705 -0.968 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.640 -2.782 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.461 -1.647 -4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.099 -3.042 -2.395 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.143 -1.511 -6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.364 -3.590 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.407 -2.058 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 80 6.020 -3.105 -5.496 1.00 0.00 H new ATOM 1268 N TRP A 81 2.515 1.186 -2.844 1.00 0.00 N ATOM 1269 CA TRP A 81 3.075 2.422 -3.380 1.00 0.00 C ATOM 1270 C TRP A 81 4.587 2.461 -3.193 1.00 0.00 C ATOM 1271 O TRP A 81 5.079 2.648 -2.080 1.00 0.00 O ATOM 1272 CB TRP A 81 2.433 3.633 -2.700 1.00 0.00 C ATOM 1273 CG TRP A 81 2.596 4.905 -3.475 1.00 0.00 C ATOM 1274 CD1 TRP A 81 1.930 5.263 -4.612 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.484 5.986 -3.170 1.00 0.00 C ATOM 1276 NE1 TRP A 81 2.350 6.502 -5.033 1.00 0.00 N ATOM 1277 CE2 TRP A 81 3.302 6.967 -4.165 1.00 0.00 C ATOM 1278 CE3 TRP A 81 4.412 6.222 -2.153 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 4.017 8.162 -4.170 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 5.121 7.409 -2.160 1.00 0.00 C ATOM 1281 CH2 TRP A 81 4.920 8.367 -3.162 1.00 0.00 C ATOM 0 H TRP A 81 2.938 0.876 -1.969 1.00 0.00 H new ATOM 0 HA TRP A 81 2.859 2.456 -4.448 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.370 3.438 -2.555 1.00 0.00 H new ATOM 0 HB3 TRP A 81 2.872 3.760 -1.710 1.00 0.00 H new ATOM 0 HD1 TRP A 81 1.183 4.661 -5.108 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.008 6.995 -5.858 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.573 5.490 -1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.864 8.901 -4.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 5.842 7.601 -1.379 1.00 0.00 H new ATOM 0 HH2 TRP A 81 5.488 9.285 -3.139 1.00 0.00 H new ATOM 1292 N GLN A 82 5.319 2.285 -4.288 1.00 0.00 N ATOM 1293 CA GLN A 82 6.776 2.300 -4.243 1.00 0.00 C ATOM 1294 C GLN A 82 7.338 3.393 -5.146 1.00 0.00 C ATOM 1295 O GLN A 82 7.083 3.409 -6.350 1.00 0.00 O ATOM 1296 CB GLN A 82 7.335 0.939 -4.662 1.00 0.00 C ATOM 1297 CG GLN A 82 8.766 0.702 -4.209 1.00 0.00 C ATOM 1298 CD GLN A 82 9.336 -0.603 -4.730 1.00 0.00 C ATOM 1299 OE1 GLN A 82 9.502 -0.693 -6.044 1.00 0.00 O flip ATOM 1300 NE2 GLN A 82 9.623 -1.519 -3.960 1.00 0.00 N flip ATOM 0 H GLN A 82 4.927 2.130 -5.217 1.00 0.00 H new ATOM 0 HA GLN A 82 7.080 2.510 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.699 0.153 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.288 0.855 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.392 1.528 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.802 0.700 -3.120 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.479 -1.406 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.005 -2.391 -4.325 1.00 0.00 H new ATOM 1309 N VAL A 83 8.103 4.306 -4.556 1.00 0.00 N ATOM 1310 CA VAL A 83 8.702 5.403 -5.308 1.00 0.00 C ATOM 1311 C VAL A 83 10.144 5.641 -4.877 1.00 0.00 C ATOM 1312 O VAL A 83 10.448 5.681 -3.684 1.00 0.00 O ATOM 1313 CB VAL A 83 7.902 6.707 -5.130 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.558 6.609 -5.835 1.00 0.00 C ATOM 1315 CG2 VAL A 83 7.717 7.021 -3.653 1.00 0.00 C ATOM 0 H VAL A 83 8.323 4.308 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 83 8.683 5.115 -6.359 1.00 0.00 H new ATOM 0 HB VAL A 83 8.465 7.523 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.007 7.539 -5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.717 6.434 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.985 5.783 -5.414 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.150 7.946 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.176 6.206 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.692 7.137 -3.181 1.00 0.00 H new ATOM 1325 N TYR A 84 11.029 5.801 -5.854 1.00 0.00 N ATOM 1326 CA TYR A 84 12.441 6.034 -5.577 1.00 0.00 C ATOM 1327 C TYR A 84 12.649 7.393 -4.915 1.00 0.00 C ATOM 1328 O TYR A 84 11.985 8.372 -5.258 1.00 0.00 O ATOM 1329 CB TYR A 84 13.257 5.953 -6.868 1.00 0.00 C ATOM 1330 CG TYR A 84 13.670 4.546 -7.236 1.00 0.00 C ATOM 1331 CD1 TYR A 84 12.725 3.536 -7.369 1.00 0.00 C ATOM 1332 CD2 TYR A 84 15.005 4.226 -7.451 1.00 0.00 C ATOM 1333 CE1 TYR A 84 13.098 2.249 -7.705 1.00 0.00 C ATOM 1334 CE2 TYR A 84 15.387 2.942 -7.789 1.00 0.00 C ATOM 1335 CZ TYR A 84 14.430 1.957 -7.914 1.00 0.00 C ATOM 1336 OH TYR A 84 14.805 0.676 -8.249 1.00 0.00 O ATOM 0 H TYR A 84 10.793 5.774 -6.846 1.00 0.00 H new ATOM 0 HA TYR A 84 12.783 5.259 -4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.672 6.376 -7.685 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.150 6.569 -6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.681 3.761 -7.207 1.00 0.00 H new ATOM 0 HD2 TYR A 84 15.757 4.995 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.351 1.475 -7.804 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.429 2.711 -7.954 1.00 0.00 H new ATOM 0 HH TYR A 84 15.778 0.639 -8.362 1.00 0.00 H new ATOM 1346 N HIS A 85 13.577 7.446 -3.965 1.00 0.00 N ATOM 1347 CA HIS A 85 13.875 8.685 -3.255 1.00 0.00 C ATOM 1348 C HIS A 85 14.283 9.785 -4.230 1.00 0.00 C ATOM 1349 O HIS A 85 13.742 10.890 -4.195 1.00 0.00 O ATOM 1350 CB HIS A 85 14.988 8.456 -2.231 1.00 0.00 C ATOM 1351 CG HIS A 85 16.231 7.864 -2.821 1.00 0.00 C ATOM 1352 ND1 HIS A 85 16.359 6.524 -3.119 1.00 0.00 N ATOM 1353 CD2 HIS A 85 17.406 8.439 -3.169 1.00 0.00 C ATOM 1354 CE1 HIS A 85 17.559 6.300 -3.623 1.00 0.00 C ATOM 1355 NE2 HIS A 85 18.214 7.446 -3.664 1.00 0.00 N ATOM 0 H HIS A 85 14.136 6.646 -3.669 1.00 0.00 H new ATOM 0 HA HIS A 85 12.972 9.002 -2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.237 9.406 -1.758 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.618 7.796 -1.446 1.00 0.00 H new ATOM 0 HD1 HIS A 85 15.639 5.816 -2.973 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.660 9.484 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS A 85 17.940 5.343 -3.947 1.00 0.00 H new ATOM 1364 N ASP A 86 15.240 9.475 -5.097 1.00 0.00 N ATOM 1365 CA ASP A 86 15.720 10.437 -6.082 1.00 0.00 C ATOM 1366 C ASP A 86 14.559 11.210 -6.698 1.00 0.00 C ATOM 1367 O ASP A 86 14.645 12.421 -6.904 1.00 0.00 O ATOM 1368 CB ASP A 86 16.513 9.724 -7.179 1.00 0.00 C ATOM 1369 CG ASP A 86 16.962 10.669 -8.276 1.00 0.00 C ATOM 1370 OD1 ASP A 86 17.176 11.864 -7.980 1.00 0.00 O ATOM 1371 OD2 ASP A 86 17.100 10.214 -9.430 1.00 0.00 O ATOM 0 H ASP A 86 15.699 8.565 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 86 16.374 11.145 -5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 86 17.386 9.243 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 86 15.899 8.934 -7.612 1.00 0.00 H new ATOM 1376 N SER A 87 13.473 10.502 -6.992 1.00 0.00 N ATOM 1377 CA SER A 87 12.295 11.121 -7.589 1.00 0.00 C ATOM 1378 C SER A 87 11.841 12.327 -6.772 1.00 0.00 C ATOM 1379 O SER A 87 12.341 12.568 -5.674 1.00 0.00 O ATOM 1380 CB SER A 87 11.157 10.104 -7.694 1.00 0.00 C ATOM 1381 OG SER A 87 10.504 9.938 -6.447 1.00 0.00 O ATOM 0 H SER A 87 13.384 9.499 -6.827 1.00 0.00 H new ATOM 0 HA SER A 87 12.562 11.462 -8.589 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.438 10.435 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.552 9.146 -8.032 1.00 0.00 H new ATOM 0 HG SER A 87 10.874 9.156 -5.986 1.00 0.00 H new ATOM 1387 N GLU A 88 10.891 13.079 -7.318 1.00 0.00 N ATOM 1388 CA GLU A 88 10.371 14.261 -6.640 1.00 0.00 C ATOM 1389 C GLU A 88 9.484 13.866 -5.462 1.00 0.00 C ATOM 1390 O GLU A 88 9.576 14.448 -4.382 1.00 0.00 O ATOM 1391 CB GLU A 88 9.579 15.131 -7.619 1.00 0.00 C ATOM 1392 CG GLU A 88 10.440 16.118 -8.390 1.00 0.00 C ATOM 1393 CD GLU A 88 11.060 17.173 -7.495 1.00 0.00 C ATOM 1394 OE1 GLU A 88 10.471 17.471 -6.434 1.00 0.00 O ATOM 1395 OE2 GLU A 88 12.132 17.702 -7.855 1.00 0.00 O ATOM 0 H GLU A 88 10.466 12.892 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 88 11.218 14.833 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.059 14.486 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.816 15.681 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.231 15.577 -8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.833 16.605 -9.153 1.00 0.00 H new ATOM 1402 N GLU A 89 8.627 12.875 -5.681 1.00 0.00 N ATOM 1403 CA GLU A 89 7.723 12.403 -4.638 1.00 0.00 C ATOM 1404 C GLU A 89 8.483 11.617 -3.574 1.00 0.00 C ATOM 1405 O GLU A 89 8.062 11.547 -2.420 1.00 0.00 O ATOM 1406 CB GLU A 89 6.621 11.530 -5.243 1.00 0.00 C ATOM 1407 CG GLU A 89 7.094 10.143 -5.642 1.00 0.00 C ATOM 1408 CD GLU A 89 7.557 10.076 -7.084 1.00 0.00 C ATOM 1409 OE1 GLU A 89 7.830 11.146 -7.669 1.00 0.00 O ATOM 1410 OE2 GLU A 89 7.646 8.956 -7.628 1.00 0.00 O ATOM 0 H GLU A 89 8.539 12.383 -6.570 1.00 0.00 H new ATOM 0 HA GLU A 89 7.268 13.274 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.808 11.434 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.212 12.032 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.911 9.840 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.284 9.430 -5.491 1.00 0.00 H new ATOM 1417 N GLY A 90 9.605 11.026 -3.972 1.00 0.00 N ATOM 1418 CA GLY A 90 10.406 10.252 -3.042 1.00 0.00 C ATOM 1419 C GLY A 90 11.097 11.121 -2.009 1.00 0.00 C ATOM 1420 O GLY A 90 11.221 10.735 -0.847 1.00 0.00 O ATOM 0 H GLY A 90 9.974 11.069 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.769 9.527 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.155 9.686 -3.596 1.00 0.00 H new ATOM 1424 N GLN A 91 11.550 12.295 -2.435 1.00 0.00 N ATOM 1425 CA GLN A 91 12.235 13.220 -1.538 1.00 0.00 C ATOM 1426 C GLN A 91 11.288 13.733 -0.459 1.00 0.00 C ATOM 1427 O GLN A 91 11.548 13.576 0.734 1.00 0.00 O ATOM 1428 CB GLN A 91 12.813 14.395 -2.328 1.00 0.00 C ATOM 1429 CG GLN A 91 13.892 13.991 -3.320 1.00 0.00 C ATOM 1430 CD GLN A 91 15.252 13.831 -2.669 1.00 0.00 C ATOM 1431 OE1 GLN A 91 15.688 14.686 -1.897 1.00 0.00 O ATOM 1432 NE2 GLN A 91 15.931 12.733 -2.978 1.00 0.00 N ATOM 0 H GLN A 91 11.456 12.629 -3.394 1.00 0.00 H new ATOM 0 HA GLN A 91 13.050 12.682 -1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.006 14.893 -2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.227 15.122 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.609 13.053 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.956 14.742 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 91 15.531 12.051 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.852 12.572 -2.571 1.00 0.00 H new ATOM 1441 N ARG A 92 10.190 14.348 -0.886 1.00 0.00 N ATOM 1442 CA ARG A 92 9.205 14.886 0.045 1.00 0.00 C ATOM 1443 C ARG A 92 9.062 13.984 1.267 1.00 0.00 C ATOM 1444 O ARG A 92 9.346 14.397 2.392 1.00 0.00 O ATOM 1445 CB ARG A 92 7.849 15.042 -0.648 1.00 0.00 C ATOM 1446 CG ARG A 92 7.759 16.269 -1.540 1.00 0.00 C ATOM 1447 CD ARG A 92 6.319 16.578 -1.918 1.00 0.00 C ATOM 1448 NE ARG A 92 5.514 16.943 -0.756 1.00 0.00 N ATOM 1449 CZ ARG A 92 5.462 18.172 -0.254 1.00 0.00 C ATOM 1450 NH1 ARG A 92 6.165 19.149 -0.811 1.00 0.00 N ATOM 1451 NH2 ARG A 92 4.706 18.426 0.806 1.00 0.00 N ATOM 0 H ARG A 92 9.960 14.486 -1.870 1.00 0.00 H new ATOM 0 HA ARG A 92 9.552 15.865 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.652 14.153 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.067 15.096 0.110 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.193 17.126 -1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.347 16.107 -2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.301 17.393 -2.642 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.878 15.709 -2.406 1.00 0.00 H new ATOM 0 HE ARG A 92 4.961 16.214 -0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.747 18.958 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.124 20.092 -0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.164 17.677 1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.667 19.370 1.190 1.00 0.00 H new ATOM 1465 N TYR A 93 8.620 12.752 1.039 1.00 0.00 N ATOM 1466 CA TYR A 93 8.437 11.793 2.122 1.00 0.00 C ATOM 1467 C TYR A 93 9.528 11.948 3.177 1.00 0.00 C ATOM 1468 O TYR A 93 9.244 12.026 4.373 1.00 0.00 O ATOM 1469 CB TYR A 93 8.442 10.365 1.573 1.00 0.00 C ATOM 1470 CG TYR A 93 7.695 9.380 2.443 1.00 0.00 C ATOM 1471 CD1 TYR A 93 6.334 9.526 2.682 1.00 0.00 C ATOM 1472 CD2 TYR A 93 8.350 8.302 3.025 1.00 0.00 C ATOM 1473 CE1 TYR A 93 5.648 8.628 3.476 1.00 0.00 C ATOM 1474 CE2 TYR A 93 7.672 7.398 3.820 1.00 0.00 C ATOM 1475 CZ TYR A 93 6.321 7.566 4.043 1.00 0.00 C ATOM 1476 OH TYR A 93 5.641 6.668 4.834 1.00 0.00 O ATOM 0 H TYR A 93 8.382 12.394 0.114 1.00 0.00 H new ATOM 0 HA TYR A 93 7.473 11.992 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.999 10.366 0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.474 10.030 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.803 10.356 2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.408 8.168 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.590 8.757 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.196 6.565 4.264 1.00 0.00 H new ATOM 0 HH TYR A 93 6.261 5.980 5.155 1.00 0.00 H new ATOM 1486 N ILE A 94 10.777 11.992 2.725 1.00 0.00 N ATOM 1487 CA ILE A 94 11.911 12.139 3.629 1.00 0.00 C ATOM 1488 C ILE A 94 11.640 13.209 4.681 1.00 0.00 C ATOM 1489 O ILE A 94 11.646 12.930 5.879 1.00 0.00 O ATOM 1490 CB ILE A 94 13.198 12.501 2.864 1.00 0.00 C ATOM 1491 CG1 ILE A 94 13.519 11.425 1.825 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.358 12.675 3.831 1.00 0.00 C ATOM 1493 CD1 ILE A 94 14.571 11.847 0.823 1.00 0.00 C ATOM 0 H ILE A 94 11.029 11.928 1.739 1.00 0.00 H new ATOM 0 HA ILE A 94 12.049 11.176 4.121 1.00 0.00 H new ATOM 0 HB ILE A 94 13.040 13.446 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 94 13.858 10.525 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.605 11.162 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.260 12.931 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.128 13.474 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.519 11.745 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.748 11.035 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 94 14.226 12.729 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.498 12.082 1.346 1.00 0.00 H new ATOM 1505 N GLN A 95 11.402 14.434 4.223 1.00 0.00 N ATOM 1506 CA GLN A 95 11.128 15.546 5.126 1.00 0.00 C ATOM 1507 C GLN A 95 9.989 15.204 6.080 1.00 0.00 C ATOM 1508 O GLN A 95 10.028 15.554 7.260 1.00 0.00 O ATOM 1509 CB GLN A 95 10.781 16.804 4.328 1.00 0.00 C ATOM 1510 CG GLN A 95 11.920 17.305 3.455 1.00 0.00 C ATOM 1511 CD GLN A 95 13.081 17.846 4.265 1.00 0.00 C ATOM 1512 OE1 GLN A 95 13.653 17.143 5.099 1.00 0.00 O ATOM 1513 NE2 GLN A 95 13.437 19.103 4.025 1.00 0.00 N ATOM 0 H GLN A 95 11.393 14.681 3.233 1.00 0.00 H new ATOM 0 HA GLN A 95 12.026 15.734 5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.916 16.597 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.490 17.594 5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.272 16.491 2.821 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.548 18.087 2.793 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.936 19.650 3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.211 19.521 4.541 1.00 0.00 H new ATOM 1522 N PHE A 96 8.975 14.519 5.562 1.00 0.00 N ATOM 1523 CA PHE A 96 7.823 14.131 6.369 1.00 0.00 C ATOM 1524 C PHE A 96 8.259 13.690 7.763 1.00 0.00 C ATOM 1525 O PHE A 96 7.950 14.346 8.758 1.00 0.00 O ATOM 1526 CB PHE A 96 7.051 13.002 5.683 1.00 0.00 C ATOM 1527 CG PHE A 96 5.666 12.805 6.229 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.472 12.498 7.566 1.00 0.00 C ATOM 1529 CD2 PHE A 96 4.558 12.928 5.406 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.198 12.316 8.072 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.283 12.748 5.907 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.103 12.440 7.241 1.00 0.00 C ATOM 0 H PHE A 96 8.927 14.221 4.588 1.00 0.00 H new ATOM 0 HA PHE A 96 7.172 14.999 6.469 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.985 13.214 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.611 12.073 5.790 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.325 12.400 8.220 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.693 13.167 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.060 12.077 9.116 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.427 12.848 5.256 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.107 12.296 7.633 1.00 0.00 H new ATOM 1542 N TYR A 97 8.978 12.575 7.826 1.00 0.00 N ATOM 1543 CA TYR A 97 9.454 12.044 9.097 1.00 0.00 C ATOM 1544 C TYR A 97 10.971 12.169 9.206 1.00 0.00 C ATOM 1545 O TYR A 97 11.597 11.550 10.067 1.00 0.00 O ATOM 1546 CB TYR A 97 9.040 10.579 9.250 1.00 0.00 C ATOM 1547 CG TYR A 97 7.782 10.224 8.489 1.00 0.00 C ATOM 1548 CD1 TYR A 97 7.807 10.047 7.111 1.00 0.00 C ATOM 1549 CD2 TYR A 97 6.569 10.066 9.148 1.00 0.00 C ATOM 1550 CE1 TYR A 97 6.661 9.723 6.412 1.00 0.00 C ATOM 1551 CE2 TYR A 97 5.418 9.740 8.457 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.469 9.570 7.089 1.00 0.00 C ATOM 1553 OH TYR A 97 4.324 9.247 6.397 1.00 0.00 O ATOM 0 H TYR A 97 9.244 12.022 7.012 1.00 0.00 H new ATOM 0 HA TYR A 97 9.000 12.628 9.898 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.855 9.942 8.906 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.889 10.361 10.307 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.739 10.165 6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.525 10.200 10.219 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.698 9.590 5.341 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.484 9.619 8.985 1.00 0.00 H new ATOM 0 HH TYR A 97 4.556 8.997 5.478 1.00 0.00 H new ATOM 1563 N LYS A 98 11.556 12.974 8.327 1.00 0.00 N ATOM 1564 CA LYS A 98 12.999 13.184 8.322 1.00 0.00 C ATOM 1565 C LYS A 98 13.741 11.861 8.163 1.00 0.00 C ATOM 1566 O LYS A 98 14.721 11.599 8.861 1.00 0.00 O ATOM 1567 CB LYS A 98 13.439 13.874 9.616 1.00 0.00 C ATOM 1568 CG LYS A 98 12.938 15.303 9.743 1.00 0.00 C ATOM 1569 CD LYS A 98 13.650 16.231 8.773 1.00 0.00 C ATOM 1570 CE LYS A 98 13.679 17.662 9.290 1.00 0.00 C ATOM 1571 NZ LYS A 98 14.775 17.873 10.275 1.00 0.00 N ATOM 0 H LYS A 98 11.053 13.493 7.607 1.00 0.00 H new ATOM 0 HA LYS A 98 13.245 13.823 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.080 13.295 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.528 13.874 9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.865 15.332 9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.092 15.654 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.670 15.880 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.148 16.203 7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.806 18.348 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.722 17.900 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.761 18.860 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.640 17.236 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.690 17.671 9.825 1.00 0.00 H new ATOM 1585 N LEU A 99 13.269 11.031 7.239 1.00 0.00 N ATOM 1586 CA LEU A 99 13.888 9.735 6.987 1.00 0.00 C ATOM 1587 C LEU A 99 15.338 9.901 6.543 1.00 0.00 C ATOM 1588 O LEU A 99 15.719 10.943 6.011 1.00 0.00 O ATOM 1589 CB LEU A 99 13.102 8.970 5.921 1.00 0.00 C ATOM 1590 CG LEU A 99 13.793 7.742 5.328 1.00 0.00 C ATOM 1591 CD1 LEU A 99 12.768 6.691 4.932 1.00 0.00 C ATOM 1592 CD2 LEU A 99 14.646 8.136 4.131 1.00 0.00 C ATOM 0 H LEU A 99 12.460 11.233 6.652 1.00 0.00 H new ATOM 0 HA LEU A 99 13.874 9.167 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.153 8.654 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.867 9.657 5.108 1.00 0.00 H new ATOM 0 HG LEU A 99 14.446 7.314 6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.279 5.825 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.201 6.387 5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.089 7.107 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.130 7.249 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.014 8.589 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 99 15.406 8.852 4.445 1.00 0.00 H new ATOM 1604 N GLY A 100 16.142 8.866 6.764 1.00 0.00 N ATOM 1605 CA GLY A 100 17.541 8.917 6.378 1.00 0.00 C ATOM 1606 C GLY A 100 18.228 7.572 6.509 1.00 0.00 C ATOM 1607 O GLY A 100 19.377 7.494 6.944 1.00 0.00 O ATOM 0 H GLY A 100 15.850 7.993 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.618 9.262 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.059 9.648 6.998 1.00 0.00 H new ATOM 1611 N ASP A 101 17.523 6.511 6.134 1.00 0.00 N ATOM 1612 CA ASP A 101 18.072 5.162 6.212 1.00 0.00 C ATOM 1613 C ASP A 101 17.243 4.189 5.379 1.00 0.00 C ATOM 1614 O ASP A 101 16.158 4.528 4.906 1.00 0.00 O ATOM 1615 CB ASP A 101 18.123 4.692 7.667 1.00 0.00 C ATOM 1616 CG ASP A 101 16.887 5.093 8.448 1.00 0.00 C ATOM 1617 OD1 ASP A 101 15.769 4.778 7.991 1.00 0.00 O ATOM 1618 OD2 ASP A 101 17.039 5.723 9.516 1.00 0.00 O ATOM 0 H ASP A 101 16.570 6.558 5.773 1.00 0.00 H new ATOM 0 HA ASP A 101 19.085 5.185 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.229 3.607 7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.006 5.110 8.150 1.00 0.00 H new ATOM 1623 N PHE A 102 17.761 2.978 5.203 1.00 0.00 N ATOM 1624 CA PHE A 102 17.070 1.956 4.425 1.00 0.00 C ATOM 1625 C PHE A 102 17.628 0.569 4.733 1.00 0.00 C ATOM 1626 O PHE A 102 18.788 0.409 5.112 1.00 0.00 O ATOM 1627 CB PHE A 102 17.198 2.250 2.929 1.00 0.00 C ATOM 1628 CG PHE A 102 17.227 3.717 2.607 1.00 0.00 C ATOM 1629 CD1 PHE A 102 18.398 4.445 2.738 1.00 0.00 C ATOM 1630 CD2 PHE A 102 16.083 4.366 2.172 1.00 0.00 C ATOM 1631 CE1 PHE A 102 18.427 5.795 2.442 1.00 0.00 C ATOM 1632 CE2 PHE A 102 16.106 5.716 1.875 1.00 0.00 C ATOM 1633 CZ PHE A 102 17.280 6.431 2.009 1.00 0.00 C ATOM 0 H PHE A 102 18.657 2.680 5.589 1.00 0.00 H new ATOM 0 HA PHE A 102 16.016 1.974 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 102 18.109 1.785 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 102 16.363 1.787 2.403 1.00 0.00 H new ATOM 0 HD1 PHE A 102 19.298 3.953 3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.163 3.811 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.346 6.352 2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.207 6.211 1.539 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.301 7.485 1.776 1.00 0.00 H new ATOM 1643 N PRO A 103 16.782 -0.458 4.566 1.00 0.00 N ATOM 1644 CA PRO A 103 15.398 -0.279 4.116 1.00 0.00 C ATOM 1645 C PRO A 103 14.528 0.394 5.171 1.00 0.00 C ATOM 1646 O PRO A 103 14.785 0.276 6.369 1.00 0.00 O ATOM 1647 CB PRO A 103 14.920 -1.711 3.862 1.00 0.00 C ATOM 1648 CG PRO A 103 15.773 -2.557 4.743 1.00 0.00 C ATOM 1649 CD PRO A 103 17.111 -1.873 4.805 1.00 0.00 C ATOM 0 HA PRO A 103 15.334 0.368 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.864 -1.825 4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.037 -1.987 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.336 -2.650 5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.869 -3.566 4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.591 -2.016 5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.795 -2.260 4.050 1.00 0.00 H new ATOM 1657 N TYR A 104 13.497 1.099 4.719 1.00 0.00 N ATOM 1658 CA TYR A 104 12.589 1.792 5.625 1.00 0.00 C ATOM 1659 C TYR A 104 11.136 1.563 5.221 1.00 0.00 C ATOM 1660 O TYR A 104 10.734 1.874 4.099 1.00 0.00 O ATOM 1661 CB TYR A 104 12.895 3.291 5.639 1.00 0.00 C ATOM 1662 CG TYR A 104 12.025 4.078 6.593 1.00 0.00 C ATOM 1663 CD1 TYR A 104 10.681 4.296 6.318 1.00 0.00 C ATOM 1664 CD2 TYR A 104 12.547 4.604 7.768 1.00 0.00 C ATOM 1665 CE1 TYR A 104 9.882 5.015 7.186 1.00 0.00 C ATOM 1666 CE2 TYR A 104 11.755 5.323 8.642 1.00 0.00 C ATOM 1667 CZ TYR A 104 10.423 5.526 8.347 1.00 0.00 C ATOM 1668 OH TYR A 104 9.632 6.243 9.214 1.00 0.00 O ATOM 0 H TYR A 104 13.269 1.206 3.730 1.00 0.00 H new ATOM 0 HA TYR A 104 12.737 1.388 6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.941 3.437 5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.768 3.689 4.632 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.253 3.897 5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 104 13.590 4.448 8.002 1.00 0.00 H new ATOM 0 HE1 TYR A 104 8.839 5.176 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 104 12.177 5.724 9.552 1.00 0.00 H new ATOM 0 HH TYR A 104 10.086 6.326 10.078 1.00 0.00 H new ATOM 1678 N VAL A 105 10.351 1.017 6.144 1.00 0.00 N ATOM 1679 CA VAL A 105 8.941 0.747 5.887 1.00 0.00 C ATOM 1680 C VAL A 105 8.095 1.019 7.126 1.00 0.00 C ATOM 1681 O VAL A 105 8.466 0.645 8.238 1.00 0.00 O ATOM 1682 CB VAL A 105 8.722 -0.710 5.439 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.237 -1.005 5.287 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.463 -0.984 4.139 1.00 0.00 C ATOM 0 H VAL A 105 10.668 0.753 7.077 1.00 0.00 H new ATOM 0 HA VAL A 105 8.631 1.417 5.085 1.00 0.00 H new ATOM 0 HB VAL A 105 9.123 -1.372 6.207 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.102 -2.039 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.736 -0.850 6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.808 -0.337 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.297 -2.018 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.093 -0.315 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.530 -0.815 4.286 1.00 0.00 H new ATOM 1694 N SER A 106 6.954 1.671 6.925 1.00 0.00 N ATOM 1695 CA SER A 106 6.055 1.997 8.026 1.00 0.00 C ATOM 1696 C SER A 106 4.627 2.185 7.523 1.00 0.00 C ATOM 1697 O SER A 106 4.404 2.461 6.344 1.00 0.00 O ATOM 1698 CB SER A 106 6.528 3.264 8.740 1.00 0.00 C ATOM 1699 OG SER A 106 6.272 4.417 7.957 1.00 0.00 O ATOM 0 H SER A 106 6.630 1.984 6.010 1.00 0.00 H new ATOM 0 HA SER A 106 6.067 1.166 8.731 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.022 3.354 9.701 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.596 3.191 8.947 1.00 0.00 H new ATOM 0 HG SER A 106 6.582 5.213 8.436 1.00 0.00 H new ATOM 1705 N ILE A 107 3.664 2.033 8.427 1.00 0.00 N ATOM 1706 CA ILE A 107 2.258 2.187 8.076 1.00 0.00 C ATOM 1707 C ILE A 107 1.755 3.585 8.421 1.00 0.00 C ATOM 1708 O ILE A 107 1.800 4.005 9.578 1.00 0.00 O ATOM 1709 CB ILE A 107 1.381 1.146 8.797 1.00 0.00 C ATOM 1710 CG1 ILE A 107 1.766 -0.268 8.359 1.00 0.00 C ATOM 1711 CG2 ILE A 107 -0.091 1.410 8.518 1.00 0.00 C ATOM 1712 CD1 ILE A 107 0.970 -1.353 9.050 1.00 0.00 C ATOM 0 H ILE A 107 3.832 1.804 9.407 1.00 0.00 H new ATOM 0 HA ILE A 107 2.182 2.032 7.000 1.00 0.00 H new ATOM 0 HB ILE A 107 1.549 1.232 9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.626 -0.356 7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 107 2.826 -0.425 8.557 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.698 0.666 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.356 2.405 8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.275 1.348 7.445 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.297 -2.329 8.690 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.129 -1.291 10.127 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.090 -1.222 8.832 1.00 0.00 H new ATOM 1724 N LEU A 108 1.275 4.301 7.411 1.00 0.00 N ATOM 1725 CA LEU A 108 0.761 5.652 7.607 1.00 0.00 C ATOM 1726 C LEU A 108 -0.763 5.670 7.545 1.00 0.00 C ATOM 1727 O LEU A 108 -1.378 4.818 6.903 1.00 0.00 O ATOM 1728 CB LEU A 108 1.337 6.596 6.550 1.00 0.00 C ATOM 1729 CG LEU A 108 1.562 8.043 6.992 1.00 0.00 C ATOM 1730 CD1 LEU A 108 0.244 8.802 7.024 1.00 0.00 C ATOM 1731 CD2 LEU A 108 2.236 8.085 8.356 1.00 0.00 C ATOM 0 H LEU A 108 1.231 3.969 6.448 1.00 0.00 H new ATOM 0 HA LEU A 108 1.070 5.991 8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.289 6.189 6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.666 6.600 5.691 1.00 0.00 H new ATOM 0 HG LEU A 108 2.219 8.526 6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.423 9.829 7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.201 8.801 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.437 8.320 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.388 9.122 8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.604 7.585 9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.199 7.578 8.302 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.366 6.646 8.214 1.00 0.00 N ATOM 1744 CA ASP A 109 -2.818 6.777 8.232 1.00 0.00 C ATOM 1745 C ASP A 109 -3.290 7.742 7.149 1.00 0.00 C ATOM 1746 O ASP A 109 -3.016 8.942 7.190 1.00 0.00 O ATOM 1747 CB ASP A 109 -3.290 7.260 9.604 1.00 0.00 C ATOM 1748 CG ASP A 109 -4.761 6.980 9.842 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -5.572 7.261 8.935 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -5.101 6.480 10.934 1.00 0.00 O ATOM 0 H ASP A 109 -0.872 7.358 8.751 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.250 5.796 8.032 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.700 6.772 10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.108 8.331 9.691 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.016 7.208 6.156 1.00 0.00 N ATOM 1756 CA PRO A 110 -4.542 8.004 5.043 1.00 0.00 C ATOM 1757 C PRO A 110 -5.656 8.949 5.481 1.00 0.00 C ATOM 1758 O PRO A 110 -6.090 9.809 4.714 1.00 0.00 O ATOM 1759 CB PRO A 110 -5.085 6.948 4.077 1.00 0.00 C ATOM 1760 CG PRO A 110 -5.400 5.774 4.938 1.00 0.00 C ATOM 1761 CD PRO A 110 -4.381 5.786 6.044 1.00 0.00 C ATOM 0 HA PRO A 110 -3.779 8.648 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.973 7.307 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.349 6.694 3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.411 5.844 5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.346 4.846 4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -4.796 5.403 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.517 5.167 5.801 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.113 8.784 6.718 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.177 9.622 7.257 1.00 0.00 C ATOM 1771 C ARG A 111 -6.600 10.779 8.068 1.00 0.00 C ATOM 1772 O ARG A 111 -6.643 11.933 7.641 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.116 8.791 8.132 1.00 0.00 C ATOM 1774 CG ARG A 111 -8.980 7.818 7.346 1.00 0.00 C ATOM 1775 CD ARG A 111 -9.962 7.088 8.249 1.00 0.00 C ATOM 1776 NE ARG A 111 -9.282 6.233 9.219 1.00 0.00 N ATOM 1777 CZ ARG A 111 -9.814 5.874 10.381 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -11.026 6.293 10.718 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -9.133 5.093 11.210 1.00 0.00 N ATOM 0 H ARG A 111 -5.763 8.078 7.366 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.741 10.033 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.524 8.233 8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.762 9.463 8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.527 8.358 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -8.344 7.093 6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -10.579 7.815 8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.633 6.483 7.640 1.00 0.00 H new ATOM 0 HE ARG A 111 -8.348 5.893 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -11.553 6.893 10.084 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -11.432 6.015 11.612 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -8.200 4.768 10.954 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -9.542 4.817 12.103 1.00 0.00 H new ATOM 1793 N THR A 112 -6.060 10.462 9.240 1.00 0.00 N ATOM 1794 CA THR A 112 -5.476 11.473 10.112 1.00 0.00 C ATOM 1795 C THR A 112 -4.114 11.923 9.596 1.00 0.00 C ATOM 1796 O THR A 112 -3.747 13.091 9.719 1.00 0.00 O ATOM 1797 CB THR A 112 -5.320 10.951 11.553 1.00 0.00 C ATOM 1798 OG1 THR A 112 -4.316 11.706 12.241 1.00 0.00 O ATOM 1799 CG2 THR A 112 -4.945 9.477 11.557 1.00 0.00 C ATOM 0 H THR A 112 -6.015 9.512 9.608 1.00 0.00 H new ATOM 0 HA THR A 112 -6.160 12.322 10.114 1.00 0.00 H new ATOM 0 HB THR A 112 -6.276 11.067 12.064 1.00 0.00 H new ATOM 0 HG1 THR A 112 -4.131 11.290 13.109 1.00 0.00 H new ATOM 0 HG21 THR A 112 -4.840 9.131 12.585 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.725 8.902 11.058 1.00 0.00 H new ATOM 0 HG23 THR A 112 -4.000 9.340 11.030 1.00 0.00 H new ATOM 1807 N GLY A 113 -3.366 10.988 9.018 1.00 0.00 N ATOM 1808 CA GLY A 113 -2.053 11.308 8.491 1.00 0.00 C ATOM 1809 C GLY A 113 -0.944 11.017 9.483 1.00 0.00 C ATOM 1810 O GLY A 113 0.234 11.195 9.176 1.00 0.00 O ATOM 0 H GLY A 113 -3.647 10.014 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.881 10.735 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.022 12.362 8.215 1.00 0.00 H new ATOM 1814 N GLN A 114 -1.322 10.571 10.676 1.00 0.00 N ATOM 1815 CA GLN A 114 -0.350 10.257 11.717 1.00 0.00 C ATOM 1816 C GLN A 114 0.225 8.858 11.522 1.00 0.00 C ATOM 1817 O GLN A 114 -0.432 7.977 10.967 1.00 0.00 O ATOM 1818 CB GLN A 114 -0.997 10.367 13.099 1.00 0.00 C ATOM 1819 CG GLN A 114 -1.775 9.127 13.507 1.00 0.00 C ATOM 1820 CD GLN A 114 -2.939 9.443 14.425 1.00 0.00 C ATOM 1821 OE1 GLN A 114 -3.171 10.600 14.776 1.00 0.00 O ATOM 1822 NE2 GLN A 114 -3.678 8.413 14.821 1.00 0.00 N ATOM 0 H GLN A 114 -2.294 10.419 10.946 1.00 0.00 H new ATOM 0 HA GLN A 114 0.465 10.978 11.646 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -0.221 10.559 13.840 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -1.668 11.226 13.110 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -2.148 8.626 12.613 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -1.103 8.429 14.006 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.450 7.470 14.506 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -4.474 8.565 15.441 1.00 0.00 H new ATOM 1831 N LYS A 115 1.456 8.661 11.981 1.00 0.00 N ATOM 1832 CA LYS A 115 2.121 7.369 11.858 1.00 0.00 C ATOM 1833 C LYS A 115 1.561 6.371 12.866 1.00 0.00 C ATOM 1834 O LYS A 115 1.566 6.622 14.072 1.00 0.00 O ATOM 1835 CB LYS A 115 3.629 7.527 12.064 1.00 0.00 C ATOM 1836 CG LYS A 115 4.398 6.221 11.957 1.00 0.00 C ATOM 1837 CD LYS A 115 4.515 5.531 13.306 1.00 0.00 C ATOM 1838 CE LYS A 115 5.399 6.319 14.260 1.00 0.00 C ATOM 1839 NZ LYS A 115 5.893 5.476 15.384 1.00 0.00 N ATOM 0 H LYS A 115 2.014 9.380 12.442 1.00 0.00 H new ATOM 0 HA LYS A 115 1.936 6.987 10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.017 8.229 11.325 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.809 7.966 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 115 3.896 5.559 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.394 6.416 11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.523 5.412 13.742 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.926 4.531 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.248 6.729 13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.839 7.165 14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.492 6.050 16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.084 5.105 15.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.449 4.683 15.005 1.00 0.00 H new ATOM 1853 N LEU A 116 1.080 5.238 12.366 1.00 0.00 N ATOM 1854 CA LEU A 116 0.518 4.201 13.224 1.00 0.00 C ATOM 1855 C LEU A 116 1.616 3.302 13.783 1.00 0.00 C ATOM 1856 O LEU A 116 1.637 3.000 14.976 1.00 0.00 O ATOM 1857 CB LEU A 116 -0.496 3.362 12.445 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.676 4.124 11.841 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -2.581 3.180 11.065 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -2.460 4.843 12.929 1.00 0.00 C ATOM 0 H LEU A 116 1.068 5.014 11.371 1.00 0.00 H new ATOM 0 HA LEU A 116 0.013 4.688 14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.030 2.849 11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.888 2.593 13.110 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.285 4.870 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.415 3.741 10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.014 2.712 10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.964 2.410 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.296 5.380 12.481 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.839 4.115 13.646 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.807 5.550 13.441 1.00 0.00 H new ATOM 1872 N VAL A 117 2.528 2.880 12.913 1.00 0.00 N ATOM 1873 CA VAL A 117 3.632 2.019 13.321 1.00 0.00 C ATOM 1874 C VAL A 117 4.882 2.300 12.495 1.00 0.00 C ATOM 1875 O VAL A 117 4.825 3.000 11.484 1.00 0.00 O ATOM 1876 CB VAL A 117 3.262 0.530 13.183 1.00 0.00 C ATOM 1877 CG1 VAL A 117 1.932 0.244 13.863 1.00 0.00 C ATOM 1878 CG2 VAL A 117 3.218 0.126 11.717 1.00 0.00 C ATOM 0 H VAL A 117 2.524 3.120 11.922 1.00 0.00 H new ATOM 0 HA VAL A 117 3.836 2.240 14.369 1.00 0.00 H new ATOM 0 HB VAL A 117 4.030 -0.064 13.678 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.688 -0.813 13.755 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.004 0.493 14.922 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.150 0.846 13.401 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.955 -0.929 11.638 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.471 0.726 11.197 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.196 0.291 11.265 1.00 0.00 H new ATOM 1888 N GLU A 118 6.010 1.748 12.932 1.00 0.00 N ATOM 1889 CA GLU A 118 7.274 1.940 12.232 1.00 0.00 C ATOM 1890 C GLU A 118 8.127 0.676 12.292 1.00 0.00 C ATOM 1891 O GLU A 118 8.418 0.161 13.372 1.00 0.00 O ATOM 1892 CB GLU A 118 8.044 3.116 12.836 1.00 0.00 C ATOM 1893 CG GLU A 118 7.724 4.452 12.185 1.00 0.00 C ATOM 1894 CD GLU A 118 8.895 5.414 12.224 1.00 0.00 C ATOM 1895 OE1 GLU A 118 10.023 4.992 11.895 1.00 0.00 O ATOM 1896 OE2 GLU A 118 8.683 6.591 12.584 1.00 0.00 O ATOM 0 H GLU A 118 6.074 1.165 13.767 1.00 0.00 H new ATOM 0 HA GLU A 118 7.051 2.159 11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.820 3.177 13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.113 2.924 12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.429 4.286 11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.870 4.903 12.691 1.00 0.00 H new ATOM 1903 N TRP A 119 8.523 0.181 11.125 1.00 0.00 N ATOM 1904 CA TRP A 119 9.342 -1.023 11.044 1.00 0.00 C ATOM 1905 C TRP A 119 10.594 -0.776 10.209 1.00 0.00 C ATOM 1906 O TRP A 119 10.525 -0.190 9.128 1.00 0.00 O ATOM 1907 CB TRP A 119 8.534 -2.175 10.444 1.00 0.00 C ATOM 1908 CG TRP A 119 7.292 -2.496 11.219 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.140 -2.458 12.576 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.029 -2.907 10.684 1.00 0.00 C ATOM 1911 NE1 TRP A 119 5.859 -2.820 12.916 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.157 -3.099 11.773 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.549 -3.128 9.390 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 3.835 -3.503 11.606 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.237 -3.529 9.226 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.392 -3.713 10.328 1.00 0.00 C ATOM 0 H TRP A 119 8.290 0.595 10.222 1.00 0.00 H new ATOM 0 HA TRP A 119 9.649 -1.291 12.055 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.259 -1.922 9.420 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.163 -3.064 10.395 1.00 0.00 H new ATOM 0 HD1 TRP A 119 7.913 -2.184 13.278 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.490 -2.873 13.866 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.192 -2.988 8.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.182 -3.646 12.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.856 -3.704 8.231 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.371 -4.027 10.166 1.00 0.00 H new ATOM 1927 N HIS A 120 11.737 -1.225 10.717 1.00 0.00 N ATOM 1928 CA HIS A 120 13.005 -1.052 10.017 1.00 0.00 C ATOM 1929 C HIS A 120 13.349 -2.295 9.202 1.00 0.00 C ATOM 1930 O HIS A 120 13.762 -2.196 8.047 1.00 0.00 O ATOM 1931 CB HIS A 120 14.126 -0.755 11.014 1.00 0.00 C ATOM 1932 CG HIS A 120 15.255 0.035 10.427 1.00 0.00 C ATOM 1933 ND1 HIS A 120 15.064 1.157 9.649 1.00 0.00 N ATOM 1934 CD2 HIS A 120 16.595 -0.140 10.510 1.00 0.00 C ATOM 1935 CE1 HIS A 120 16.237 1.637 9.277 1.00 0.00 C ATOM 1936 NE2 HIS A 120 17.182 0.869 9.787 1.00 0.00 N ATOM 0 H HIS A 120 11.811 -1.711 11.611 1.00 0.00 H new ATOM 0 HA HIS A 120 12.903 -0.208 9.335 1.00 0.00 H new ATOM 0 HB2 HIS A 120 13.712 -0.208 11.861 1.00 0.00 H new ATOM 0 HB3 HIS A 120 14.515 -1.696 11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 120 17.107 -0.926 11.045 1.00 0.00 H new ATOM 0 HE1 HIS A 120 16.396 2.509 8.660 1.00 0.00 H new ATOM 0 HE2 HIS A 120 18.186 1.003 9.664 1.00 0.00 H new ATOM 1945 N GLN A 121 13.177 -3.463 9.812 1.00 0.00 N ATOM 1946 CA GLN A 121 13.471 -4.725 9.143 1.00 0.00 C ATOM 1947 C GLN A 121 12.219 -5.588 9.033 1.00 0.00 C ATOM 1948 O GLN A 121 11.378 -5.597 9.933 1.00 0.00 O ATOM 1949 CB GLN A 121 14.564 -5.484 9.897 1.00 0.00 C ATOM 1950 CG GLN A 121 15.972 -5.130 9.446 1.00 0.00 C ATOM 1951 CD GLN A 121 17.014 -5.413 10.510 1.00 0.00 C ATOM 1952 OE1 GLN A 121 17.184 -4.636 11.451 1.00 0.00 O ATOM 1953 NE2 GLN A 121 17.719 -6.529 10.368 1.00 0.00 N ATOM 0 H GLN A 121 12.836 -3.562 10.768 1.00 0.00 H new ATOM 0 HA GLN A 121 13.824 -4.500 8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 121 14.470 -5.276 10.963 1.00 0.00 H new ATOM 0 HB3 GLN A 121 14.408 -6.555 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 121 16.214 -5.696 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 121 16.009 -4.074 9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 121 17.545 -7.144 9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 121 18.434 -6.771 11.054 1.00 0.00 H new ATOM 1962 N LEU A 122 12.100 -6.313 7.926 1.00 0.00 N ATOM 1963 CA LEU A 122 10.950 -7.180 7.699 1.00 0.00 C ATOM 1964 C LEU A 122 11.370 -8.471 7.004 1.00 0.00 C ATOM 1965 O LEU A 122 12.436 -8.540 6.392 1.00 0.00 O ATOM 1966 CB LEU A 122 9.897 -6.455 6.859 1.00 0.00 C ATOM 1967 CG LEU A 122 9.421 -5.105 7.398 1.00 0.00 C ATOM 1968 CD1 LEU A 122 8.625 -4.358 6.339 1.00 0.00 C ATOM 1969 CD2 LEU A 122 8.590 -5.297 8.657 1.00 0.00 C ATOM 0 H LEU A 122 12.786 -6.317 7.172 1.00 0.00 H new ATOM 0 HA LEU A 122 10.521 -7.434 8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.302 -6.302 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.031 -7.108 6.756 1.00 0.00 H new ATOM 0 HG LEU A 122 10.296 -4.508 7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.295 -3.400 6.741 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.253 -4.188 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 122 7.756 -4.950 6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 122 8.260 -4.326 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 122 7.720 -5.913 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.193 -5.789 9.420 1.00 0.00 H new ATOM 1981 N ASP A 123 10.524 -9.491 7.102 1.00 0.00 N ATOM 1982 CA ASP A 123 10.806 -10.780 6.480 1.00 0.00 C ATOM 1983 C ASP A 123 9.522 -11.436 5.983 1.00 0.00 C ATOM 1984 O ASP A 123 8.420 -11.021 6.343 1.00 0.00 O ATOM 1985 CB ASP A 123 11.515 -11.704 7.471 1.00 0.00 C ATOM 1986 CG ASP A 123 12.021 -12.975 6.817 1.00 0.00 C ATOM 1987 OD1 ASP A 123 12.881 -12.878 5.917 1.00 0.00 O ATOM 1988 OD2 ASP A 123 11.556 -14.067 7.206 1.00 0.00 O ATOM 0 H ASP A 123 9.638 -9.450 7.606 1.00 0.00 H new ATOM 0 HA ASP A 123 11.459 -10.608 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.353 -11.173 7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 123 10.829 -11.962 8.278 1.00 0.00 H new ATOM 1993 N VAL A 124 9.671 -12.463 5.152 1.00 0.00 N ATOM 1994 CA VAL A 124 8.523 -13.177 4.605 1.00 0.00 C ATOM 1995 C VAL A 124 7.632 -13.718 5.717 1.00 0.00 C ATOM 1996 O VAL A 124 6.407 -13.619 5.648 1.00 0.00 O ATOM 1997 CB VAL A 124 8.966 -14.344 3.704 1.00 0.00 C ATOM 1998 CG1 VAL A 124 7.758 -15.125 3.209 1.00 0.00 C ATOM 1999 CG2 VAL A 124 9.794 -13.831 2.535 1.00 0.00 C ATOM 0 H VAL A 124 10.575 -12.819 4.843 1.00 0.00 H new ATOM 0 HA VAL A 124 7.959 -12.460 4.008 1.00 0.00 H new ATOM 0 HB VAL A 124 9.589 -15.018 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 124 8.091 -15.946 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.209 -15.525 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.107 -14.464 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.098 -14.670 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.198 -13.135 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.680 -13.320 2.913 1.00 0.00 H new ATOM 2009 N SER A 125 8.255 -14.289 6.743 1.00 0.00 N ATOM 2010 CA SER A 125 7.518 -14.850 7.869 1.00 0.00 C ATOM 2011 C SER A 125 7.092 -13.752 8.840 1.00 0.00 C ATOM 2012 O SER A 125 5.911 -13.613 9.158 1.00 0.00 O ATOM 2013 CB SER A 125 8.372 -15.888 8.599 1.00 0.00 C ATOM 2014 OG SER A 125 7.566 -16.750 9.384 1.00 0.00 O ATOM 0 H SER A 125 9.269 -14.375 6.818 1.00 0.00 H new ATOM 0 HA SER A 125 6.623 -15.335 7.480 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.937 -16.474 7.874 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.098 -15.383 9.236 1.00 0.00 H new ATOM 0 HG SER A 125 8.135 -17.405 9.839 1.00 0.00 H new ATOM 2020 N SER A 126 8.064 -12.974 9.307 1.00 0.00 N ATOM 2021 CA SER A 126 7.792 -11.891 10.244 1.00 0.00 C ATOM 2022 C SER A 126 6.712 -10.961 9.701 1.00 0.00 C ATOM 2023 O SER A 126 5.653 -10.799 10.307 1.00 0.00 O ATOM 2024 CB SER A 126 9.071 -11.098 10.525 1.00 0.00 C ATOM 2025 OG SER A 126 9.961 -11.839 11.341 1.00 0.00 O ATOM 0 H SER A 126 9.046 -13.074 9.051 1.00 0.00 H new ATOM 0 HA SER A 126 7.434 -12.330 11.175 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.560 -10.845 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 126 8.819 -10.158 11.016 1.00 0.00 H new ATOM 0 HG SER A 126 10.771 -11.312 11.505 1.00 0.00 H new ATOM 2031 N PHE A 127 6.989 -10.351 8.553 1.00 0.00 N ATOM 2032 CA PHE A 127 6.042 -9.435 7.927 1.00 0.00 C ATOM 2033 C PHE A 127 4.637 -10.029 7.916 1.00 0.00 C ATOM 2034 O PHE A 127 3.682 -9.404 8.379 1.00 0.00 O ATOM 2035 CB PHE A 127 6.483 -9.111 6.497 1.00 0.00 C ATOM 2036 CG PHE A 127 5.610 -8.096 5.817 1.00 0.00 C ATOM 2037 CD1 PHE A 127 5.819 -6.740 6.014 1.00 0.00 C ATOM 2038 CD2 PHE A 127 4.581 -8.497 4.980 1.00 0.00 C ATOM 2039 CE1 PHE A 127 5.018 -5.803 5.388 1.00 0.00 C ATOM 2040 CE2 PHE A 127 3.777 -7.564 4.352 1.00 0.00 C ATOM 2041 CZ PHE A 127 3.995 -6.216 4.557 1.00 0.00 C ATOM 0 H PHE A 127 7.861 -10.474 8.038 1.00 0.00 H new ATOM 0 HA PHE A 127 6.024 -8.515 8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.508 -8.742 6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.485 -10.029 5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.617 -6.412 6.664 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.405 -9.550 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 127 5.192 -4.749 5.549 1.00 0.00 H new ATOM 0 HE2 PHE A 127 2.979 -7.889 3.701 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.367 -5.486 4.068 1.00 0.00 H new ATOM 2051 N LEU A 128 4.517 -11.240 7.382 1.00 0.00 N ATOM 2052 CA LEU A 128 3.229 -11.920 7.310 1.00 0.00 C ATOM 2053 C LEU A 128 2.594 -12.034 8.692 1.00 0.00 C ATOM 2054 O LEU A 128 1.378 -12.177 8.818 1.00 0.00 O ATOM 2055 CB LEU A 128 3.398 -13.311 6.697 1.00 0.00 C ATOM 2056 CG LEU A 128 3.591 -13.358 5.180 1.00 0.00 C ATOM 2057 CD1 LEU A 128 4.078 -14.731 4.746 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.296 -12.998 4.467 1.00 0.00 C ATOM 0 H LEU A 128 5.296 -11.771 6.993 1.00 0.00 H new ATOM 0 HA LEU A 128 2.569 -11.328 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 128 4.256 -13.791 7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 128 2.521 -13.907 6.950 1.00 0.00 H new ATOM 0 HG LEU A 128 4.349 -12.624 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 128 4.209 -14.745 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.030 -14.949 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 128 3.344 -15.485 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.451 -13.036 3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.517 -13.707 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.990 -11.992 4.754 1.00 0.00 H new ATOM 2070 N ASP A 129 3.426 -11.969 9.726 1.00 0.00 N ATOM 2071 CA ASP A 129 2.947 -12.063 11.100 1.00 0.00 C ATOM 2072 C ASP A 129 2.546 -10.689 11.630 1.00 0.00 C ATOM 2073 O ASP A 129 1.403 -10.480 12.035 1.00 0.00 O ATOM 2074 CB ASP A 129 4.023 -12.675 11.998 1.00 0.00 C ATOM 2075 CG ASP A 129 3.872 -14.177 12.140 1.00 0.00 C ATOM 2076 OD1 ASP A 129 2.820 -14.622 12.645 1.00 0.00 O ATOM 2077 OD2 ASP A 129 4.807 -14.907 11.748 1.00 0.00 O ATOM 0 H ASP A 129 4.435 -11.852 9.638 1.00 0.00 H new ATOM 0 HA ASP A 129 2.068 -12.708 11.109 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.007 -12.449 11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 129 3.975 -12.213 12.984 1.00 0.00 H new ATOM 2082 N GLN A 130 3.494 -9.758 11.624 1.00 0.00 N ATOM 2083 CA GLN A 130 3.240 -8.406 12.106 1.00 0.00 C ATOM 2084 C GLN A 130 2.052 -7.784 11.380 1.00 0.00 C ATOM 2085 O GLN A 130 1.270 -7.040 11.971 1.00 0.00 O ATOM 2086 CB GLN A 130 4.481 -7.533 11.919 1.00 0.00 C ATOM 2087 CG GLN A 130 5.081 -7.618 10.525 1.00 0.00 C ATOM 2088 CD GLN A 130 5.814 -6.353 10.126 1.00 0.00 C ATOM 2089 OE1 GLN A 130 5.562 -5.785 9.063 1.00 0.00 O ATOM 2090 NE2 GLN A 130 6.727 -5.904 10.979 1.00 0.00 N ATOM 0 H GLN A 130 4.445 -9.915 11.291 1.00 0.00 H new ATOM 0 HA GLN A 130 3.003 -8.465 13.168 1.00 0.00 H new ATOM 0 HB2 GLN A 130 4.221 -6.496 12.131 1.00 0.00 H new ATOM 0 HB3 GLN A 130 5.235 -7.827 12.649 1.00 0.00 H new ATOM 0 HG2 GLN A 130 5.770 -8.461 10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 130 4.288 -7.816 9.804 1.00 0.00 H new ATOM 0 HE21 GLN A 130 6.903 -6.407 11.849 1.00 0.00 H new ATOM 0 HE22 GLN A 130 7.252 -5.056 10.765 1.00 0.00 H new ATOM 2099 N VAL A 131 1.923 -8.094 10.094 1.00 0.00 N ATOM 2100 CA VAL A 131 0.830 -7.566 9.286 1.00 0.00 C ATOM 2101 C VAL A 131 -0.509 -8.150 9.724 1.00 0.00 C ATOM 2102 O VAL A 131 -1.414 -7.420 10.130 1.00 0.00 O ATOM 2103 CB VAL A 131 1.043 -7.864 7.790 1.00 0.00 C ATOM 2104 CG1 VAL A 131 -0.253 -7.671 7.017 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.146 -6.983 7.223 1.00 0.00 C ATOM 0 H VAL A 131 2.562 -8.708 9.589 1.00 0.00 H new ATOM 0 HA VAL A 131 0.819 -6.486 9.436 1.00 0.00 H new ATOM 0 HB VAL A 131 1.350 -8.905 7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.083 -7.886 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.014 -8.347 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.592 -6.641 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.283 -7.207 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.870 -5.935 7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.076 -7.175 7.758 1.00 0.00 H new ATOM 2115 N THR A 132 -0.628 -9.471 9.639 1.00 0.00 N ATOM 2116 CA THR A 132 -1.856 -10.154 10.026 1.00 0.00 C ATOM 2117 C THR A 132 -2.288 -9.754 11.432 1.00 0.00 C ATOM 2118 O THR A 132 -3.448 -9.412 11.662 1.00 0.00 O ATOM 2119 CB THR A 132 -1.690 -11.684 9.968 1.00 0.00 C ATOM 2120 OG1 THR A 132 -0.475 -12.070 10.619 1.00 0.00 O ATOM 2121 CG2 THR A 132 -1.677 -12.173 8.527 1.00 0.00 C ATOM 0 H THR A 132 0.111 -10.089 9.305 1.00 0.00 H new ATOM 0 HA THR A 132 -2.624 -9.852 9.313 1.00 0.00 H new ATOM 0 HB THR A 132 -2.537 -12.139 10.482 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.152 -12.427 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 132 -1.559 -13.256 8.511 1.00 0.00 H new ATOM 0 HG22 THR A 132 -2.616 -11.903 8.043 1.00 0.00 H new ATOM 0 HG23 THR A 132 -0.847 -11.710 7.993 1.00 0.00 H new ATOM 2129 N GLY A 133 -1.347 -9.798 12.370 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.651 -9.437 13.743 1.00 0.00 C ATOM 2131 C GLY A 133 -2.038 -7.978 13.886 1.00 0.00 C ATOM 2132 O GLY A 133 -2.980 -7.647 14.606 1.00 0.00 O ATOM 0 H GLY A 133 -0.380 -10.077 12.204 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.465 -10.063 14.109 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.784 -9.643 14.370 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.308 -7.104 13.202 1.00 0.00 N ATOM 2137 CA PHE A 134 -1.579 -5.672 13.258 1.00 0.00 C ATOM 2138 C PHE A 134 -2.989 -5.365 12.765 1.00 0.00 C ATOM 2139 O PHE A 134 -3.687 -4.520 13.329 1.00 0.00 O ATOM 2140 CB PHE A 134 -0.554 -4.905 12.420 1.00 0.00 C ATOM 2141 CG PHE A 134 -0.956 -3.486 12.134 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -1.911 -3.202 11.171 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -0.378 -2.436 12.830 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -2.281 -1.897 10.906 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -0.745 -1.129 12.569 1.00 0.00 C ATOM 2146 CZ PHE A 134 -1.698 -0.859 11.607 1.00 0.00 C ATOM 0 H PHE A 134 -0.524 -7.362 12.602 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.500 -5.353 14.297 1.00 0.00 H new ATOM 0 HB2 PHE A 134 0.403 -4.905 12.941 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -0.403 -5.429 11.476 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -2.371 -4.010 10.621 1.00 0.00 H new ATOM 0 HD2 PHE A 134 0.367 -2.641 13.584 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -3.025 -1.689 10.152 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -0.286 -0.319 13.117 1.00 0.00 H new ATOM 0 HZ PHE A 134 -1.987 0.161 11.403 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.404 -6.056 11.709 1.00 0.00 N ATOM 2157 CA LEU A 135 -4.731 -5.858 11.137 1.00 0.00 C ATOM 2158 C LEU A 135 -5.817 -6.135 12.173 1.00 0.00 C ATOM 2159 O LEU A 135 -6.768 -5.367 12.310 1.00 0.00 O ATOM 2160 CB LEU A 135 -4.926 -6.766 9.922 1.00 0.00 C ATOM 2161 CG LEU A 135 -4.113 -6.407 8.678 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -3.990 -7.609 7.755 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -4.747 -5.233 7.947 1.00 0.00 C ATOM 0 H LEU A 135 -2.840 -6.759 11.231 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.812 -4.818 10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.676 -7.786 10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -5.983 -6.760 9.655 1.00 0.00 H new ATOM 0 HG LEU A 135 -3.112 -6.114 8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.408 -7.334 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.490 -8.422 8.281 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -4.984 -7.934 7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.155 -4.991 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.760 -5.498 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -4.781 -4.368 8.609 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.665 -7.237 12.901 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.638 -7.595 13.917 1.00 0.00 C ATOM 2177 C GLY A 136 -6.653 -6.617 15.075 1.00 0.00 C ATOM 2178 O GLY A 136 -7.689 -6.030 15.386 1.00 0.00 O ATOM 0 H GLY A 136 -4.886 -7.888 12.806 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.630 -7.636 13.467 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -6.416 -8.594 14.292 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.502 -6.444 15.717 1.00 0.00 N ATOM 2183 CA GLU A 137 -5.389 -5.533 16.850 1.00 0.00 C ATOM 2184 C GLU A 137 -6.082 -4.207 16.552 1.00 0.00 C ATOM 2185 O GLU A 137 -6.845 -3.695 17.372 1.00 0.00 O ATOM 2186 CB GLU A 137 -3.917 -5.287 17.189 1.00 0.00 C ATOM 2187 CG GLU A 137 -3.094 -4.798 16.010 1.00 0.00 C ATOM 2188 CD GLU A 137 -1.650 -4.521 16.381 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -0.848 -5.478 16.395 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -1.322 -3.348 16.658 1.00 0.00 O ATOM 0 H GLU A 137 -4.635 -6.922 15.472 1.00 0.00 H new ATOM 0 HA GLU A 137 -5.880 -5.995 17.707 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -3.856 -4.553 17.993 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.481 -6.212 17.567 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -3.124 -5.544 15.216 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.543 -3.889 15.610 1.00 0.00 H new ATOM 2197 N HIS A 138 -5.811 -3.655 15.373 1.00 0.00 N ATOM 2198 CA HIS A 138 -6.409 -2.388 14.967 1.00 0.00 C ATOM 2199 C HIS A 138 -7.751 -2.617 14.279 1.00 0.00 C ATOM 2200 O HIS A 138 -8.797 -2.217 14.788 1.00 0.00 O ATOM 2201 CB HIS A 138 -5.465 -1.632 14.031 1.00 0.00 C ATOM 2202 CG HIS A 138 -4.522 -0.714 14.745 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -4.653 0.659 14.731 1.00 0.00 N ATOM 2204 CD2 HIS A 138 -3.430 -0.978 15.500 1.00 0.00 C ATOM 2205 CE1 HIS A 138 -3.682 1.199 15.444 1.00 0.00 C ATOM 2206 NE2 HIS A 138 -2.926 0.227 15.922 1.00 0.00 N ATOM 0 H HIS A 138 -5.182 -4.065 14.683 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.577 -1.790 15.862 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -4.888 -2.352 13.451 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.057 -1.052 13.322 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -3.030 -1.955 15.728 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -3.531 2.256 15.608 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -2.101 0.352 16.509 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.713 -3.262 13.117 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.933 -3.532 12.378 1.00 0.00 C ATOM 2217 C GLY A 139 -9.109 -2.605 11.192 1.00 0.00 C ATOM 2218 O GLY A 139 -8.601 -1.484 11.192 1.00 0.00 O ATOM 0 H GLY A 139 -6.860 -3.602 12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.922 -4.565 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.789 -3.430 13.045 1.00 0.00 H new ATOM 2222 N GLN A 140 -9.829 -3.073 10.178 1.00 0.00 N ATOM 2223 CA GLN A 140 -10.068 -2.278 8.979 1.00 0.00 C ATOM 2224 C GLN A 140 -10.658 -0.918 9.337 1.00 0.00 C ATOM 2225 O GLN A 140 -11.269 -0.753 10.394 1.00 0.00 O ATOM 2226 CB GLN A 140 -11.009 -3.020 8.028 1.00 0.00 C ATOM 2227 CG GLN A 140 -10.775 -2.691 6.562 1.00 0.00 C ATOM 2228 CD GLN A 140 -9.630 -3.483 5.962 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -9.829 -4.572 5.423 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -8.423 -2.938 6.051 1.00 0.00 N ATOM 0 H GLN A 140 -10.257 -3.999 10.163 1.00 0.00 H new ATOM 0 HA GLN A 140 -9.111 -2.120 8.482 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -10.888 -4.093 8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -12.040 -2.777 8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -11.686 -2.893 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -10.567 -1.626 6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -8.304 -2.033 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -7.614 -3.424 5.664 1.00 0.00 H new ATOM 2239 N LEU A 141 -10.470 0.054 8.451 1.00 0.00 N ATOM 2240 CA LEU A 141 -10.983 1.402 8.674 1.00 0.00 C ATOM 2241 C LEU A 141 -12.481 1.373 8.963 1.00 0.00 C ATOM 2242 O LEU A 141 -12.922 1.773 10.041 1.00 0.00 O ATOM 2243 CB LEU A 141 -10.705 2.282 7.454 1.00 0.00 C ATOM 2244 CG LEU A 141 -9.325 2.938 7.401 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -8.253 1.903 7.098 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -9.303 4.051 6.363 1.00 0.00 C ATOM 0 H LEU A 141 -9.967 -0.066 7.572 1.00 0.00 H new ATOM 0 HA LEU A 141 -10.472 1.821 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -10.832 1.676 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -11.460 3.067 7.417 1.00 0.00 H new ATOM 0 HG LEU A 141 -9.114 3.374 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -7.278 2.389 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -8.252 1.141 7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -8.460 1.436 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -8.313 4.507 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -9.536 3.638 5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -10.044 4.807 6.624 1.00 0.00 H new