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 50 GLN : amide:sc= -0.955 K(o=-4.1,f=-7) USER MOD Set 1.2: A 82 GLN : amide:sc= -3.18! C(o=-4.1!,f=-5.9!) USER MOD Set 2.1: A 77 HIS :FLIP no HD1:sc= -1.83! C(o=-4.2!,f=-2!) USER MOD Set 2.2: A 140 GLN : amide:sc= -0.206 X(o=-2,f=-2.5) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot -74:sc= -3.95! USER MOD Single : A 39 GLN : amide:sc= -0.365 K(o=-0.36,f=-3.8!) USER MOD Single : A 40 MET CE :methyl 152:sc= -0.0784 (180deg=-0.889) USER MOD Single : A 41 GLN : amide:sc= -4.49! C(o=-4.5!,f=-9.8!) USER MOD Single : A 42 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.67) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -140:sc= -0.0636 (180deg=-2.18) USER MOD Single : A 48 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.11) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.139 F(o=-1.1,f=0.14) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 61 ASN : amide:sc= -0.0541 X(o=-0.054,f=0) USER MOD Single : A 66 SER OG : rot 177:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.39! C(o=-2.4!,f=-9.1!) USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= -0.181 (180deg=-1.91!) USER MOD Single : A 72 ASN : amide:sc= -2.11 X(o=-2.1,f=-2.2) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS :FLIP no HE2:sc= -1.41 F(o=-2.4!,f=-1.4) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.48 K(o=-0.48,f=-2.6) USER MOD Single : A 97 TYR OH : rot -70:sc= -2.54! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 54:sc= -0.0424 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 114 GLN : amide:sc= -0.0553 K(o=-0.055,f=-1.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc=-0.00252 X(o=-0.0025,f=0) USER MOD Single : A 121 GLN : amide:sc=-0.00368 K(o=-0.0037,f=-0.84) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 129:sc= 0.139 USER MOD Single : A 130 GLN :FLIP amide:sc= -0.879 F(o=-2.3!,f=-0.88) USER MOD Single : A 132 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 138 HIS :FLIP no HD1:sc= -0.205 F(o=-0.89,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 445 N PHE A 31 1.275 11.692 -5.216 1.00 0.00 N ATOM 446 CA PHE A 31 1.331 11.378 -3.793 1.00 0.00 C ATOM 447 C PHE A 31 -0.042 11.536 -3.146 1.00 0.00 C ATOM 448 O PHE A 31 -0.516 10.640 -2.449 1.00 0.00 O ATOM 449 CB PHE A 31 2.346 12.281 -3.090 1.00 0.00 C ATOM 450 CG PHE A 31 1.957 13.732 -3.088 1.00 0.00 C ATOM 451 CD1 PHE A 31 2.032 14.484 -4.249 1.00 0.00 C ATOM 452 CD2 PHE A 31 1.516 14.343 -1.926 1.00 0.00 C ATOM 453 CE1 PHE A 31 1.676 15.819 -4.250 1.00 0.00 C ATOM 454 CE2 PHE A 31 1.157 15.678 -1.921 1.00 0.00 C ATOM 455 CZ PHE A 31 1.236 16.417 -3.085 1.00 0.00 C ATOM 0 HA PHE A 31 1.645 10.339 -3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.468 11.944 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.315 12.173 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.373 14.022 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.452 13.770 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.742 16.395 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.815 16.142 -1.008 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.955 17.460 -3.084 1.00 0.00 H new ATOM 465 N GLU A 32 -0.673 12.681 -3.384 1.00 0.00 N ATOM 466 CA GLU A 32 -1.990 12.957 -2.823 1.00 0.00 C ATOM 467 C GLU A 32 -2.957 11.814 -3.118 1.00 0.00 C ATOM 468 O GLU A 32 -3.515 11.205 -2.204 1.00 0.00 O ATOM 469 CB GLU A 32 -2.545 14.267 -3.387 1.00 0.00 C ATOM 470 CG GLU A 32 -3.505 14.976 -2.447 1.00 0.00 C ATOM 471 CD GLU A 32 -2.975 15.066 -1.029 1.00 0.00 C ATOM 472 OE1 GLU A 32 -3.152 14.095 -0.265 1.00 0.00 O ATOM 473 OE2 GLU A 32 -2.381 16.110 -0.684 1.00 0.00 O ATOM 0 H GLU A 32 -0.294 13.432 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.884 13.051 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.715 14.935 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.057 14.060 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.699 15.981 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.458 14.448 -2.441 1.00 0.00 H new ATOM 480 N THR A 33 -3.153 11.528 -4.401 1.00 0.00 N ATOM 481 CA THR A 33 -4.053 10.461 -4.818 1.00 0.00 C ATOM 482 C THR A 33 -3.857 9.212 -3.966 1.00 0.00 C ATOM 483 O THR A 33 -4.824 8.572 -3.555 1.00 0.00 O ATOM 484 CB THR A 33 -3.843 10.095 -6.300 1.00 0.00 C ATOM 485 OG1 THR A 33 -3.931 11.271 -7.112 1.00 0.00 O ATOM 486 CG2 THR A 33 -4.877 9.078 -6.758 1.00 0.00 C ATOM 0 H THR A 33 -2.700 12.021 -5.170 1.00 0.00 H new ATOM 0 HA THR A 33 -5.068 10.834 -4.684 1.00 0.00 H new ATOM 0 HB THR A 33 -2.852 9.654 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.795 11.030 -8.052 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.709 8.835 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.788 8.173 -6.157 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.876 9.496 -6.638 1.00 0.00 H new ATOM 494 N ALA A 34 -2.600 8.872 -3.703 1.00 0.00 N ATOM 495 CA ALA A 34 -2.278 7.701 -2.896 1.00 0.00 C ATOM 496 C ALA A 34 -3.000 7.744 -1.554 1.00 0.00 C ATOM 497 O ALA A 34 -3.652 6.778 -1.157 1.00 0.00 O ATOM 498 CB ALA A 34 -0.774 7.603 -2.686 1.00 0.00 C ATOM 0 H ALA A 34 -1.788 9.391 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.617 6.815 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.547 6.724 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.277 7.517 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.419 8.497 -2.173 1.00 0.00 H new ATOM 504 N LYS A 35 -2.879 8.869 -0.858 1.00 0.00 N ATOM 505 CA LYS A 35 -3.521 9.039 0.440 1.00 0.00 C ATOM 506 C LYS A 35 -5.039 9.065 0.297 1.00 0.00 C ATOM 507 O LYS A 35 -5.754 8.408 1.054 1.00 0.00 O ATOM 508 CB LYS A 35 -3.038 10.329 1.106 1.00 0.00 C ATOM 509 CG LYS A 35 -1.766 10.155 1.918 1.00 0.00 C ATOM 510 CD LYS A 35 -1.116 11.493 2.229 1.00 0.00 C ATOM 511 CE LYS A 35 -0.267 11.983 1.065 1.00 0.00 C ATOM 512 NZ LYS A 35 1.105 11.405 1.097 1.00 0.00 N ATOM 0 H LYS A 35 -2.342 9.677 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.248 8.190 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.868 11.083 0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.825 10.709 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.995 9.636 2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.065 9.528 1.368 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.887 12.230 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.495 11.399 3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.751 11.717 0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.204 13.071 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.652 11.763 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.577 11.679 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.046 10.368 1.043 1.00 0.00 H new ATOM 526 N GLU A 36 -5.524 9.828 -0.678 1.00 0.00 N ATOM 527 CA GLU A 36 -6.958 9.938 -0.919 1.00 0.00 C ATOM 528 C GLU A 36 -7.609 8.559 -0.970 1.00 0.00 C ATOM 529 O GLU A 36 -8.550 8.277 -0.227 1.00 0.00 O ATOM 530 CB GLU A 36 -7.222 10.687 -2.227 1.00 0.00 C ATOM 531 CG GLU A 36 -6.638 12.090 -2.253 1.00 0.00 C ATOM 532 CD GLU A 36 -7.076 12.926 -1.066 1.00 0.00 C ATOM 533 OE1 GLU A 36 -8.161 13.540 -1.140 1.00 0.00 O ATOM 534 OE2 GLU A 36 -6.333 12.966 -0.063 1.00 0.00 O ATOM 0 H GLU A 36 -4.946 10.378 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.397 10.498 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.805 10.114 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.298 10.747 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.550 12.026 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.939 12.588 -3.175 1.00 0.00 H new ATOM 541 N CYS A 37 -7.102 7.704 -1.851 1.00 0.00 N ATOM 542 CA CYS A 37 -7.634 6.354 -2.001 1.00 0.00 C ATOM 543 C CYS A 37 -7.872 5.709 -0.640 1.00 0.00 C ATOM 544 O CYS A 37 -8.948 5.176 -0.374 1.00 0.00 O ATOM 545 CB CYS A 37 -6.674 5.494 -2.825 1.00 0.00 C ATOM 546 SG CYS A 37 -7.306 3.843 -3.207 1.00 0.00 S ATOM 0 H CYS A 37 -6.323 7.922 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 37 -8.589 6.422 -2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.450 6.011 -3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.734 5.395 -2.282 1.00 0.00 H new ATOM 0 HG CYS A 37 -7.253 3.101 -2.141 1.00 0.00 H new ATOM 552 N GLY A 38 -6.859 5.762 0.220 1.00 0.00 N ATOM 553 CA GLY A 38 -6.978 5.177 1.543 1.00 0.00 C ATOM 554 C GLY A 38 -8.297 5.515 2.210 1.00 0.00 C ATOM 555 O GLY A 38 -8.865 4.692 2.927 1.00 0.00 O ATOM 0 H GLY A 38 -5.959 6.199 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.879 4.094 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.157 5.530 2.168 1.00 0.00 H new ATOM 559 N GLN A 39 -8.784 6.729 1.973 1.00 0.00 N ATOM 560 CA GLN A 39 -10.043 7.173 2.559 1.00 0.00 C ATOM 561 C GLN A 39 -11.228 6.481 1.892 1.00 0.00 C ATOM 562 O GLN A 39 -11.918 5.675 2.514 1.00 0.00 O ATOM 563 CB GLN A 39 -10.184 8.691 2.427 1.00 0.00 C ATOM 564 CG GLN A 39 -9.046 9.465 3.072 1.00 0.00 C ATOM 565 CD GLN A 39 -8.784 10.794 2.390 1.00 0.00 C ATOM 566 OE1 GLN A 39 -9.206 11.016 1.255 1.00 0.00 O ATOM 567 NE2 GLN A 39 -8.083 11.686 3.081 1.00 0.00 N ATOM 0 H GLN A 39 -8.326 7.422 1.380 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.037 6.906 3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.237 8.952 1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.126 9.001 2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.280 9.640 4.122 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.139 8.861 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.753 11.459 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.875 12.598 2.673 1.00 0.00 H new ATOM 576 N MET A 40 -11.457 6.803 0.623 1.00 0.00 N ATOM 577 CA MET A 40 -12.558 6.211 -0.128 1.00 0.00 C ATOM 578 C MET A 40 -12.521 4.689 -0.039 1.00 0.00 C ATOM 579 O MET A 40 -13.501 4.058 0.354 1.00 0.00 O ATOM 580 CB MET A 40 -12.498 6.649 -1.593 1.00 0.00 C ATOM 581 CG MET A 40 -12.830 8.118 -1.802 1.00 0.00 C ATOM 582 SD MET A 40 -14.599 8.409 -1.995 1.00 0.00 S ATOM 583 CE MET A 40 -15.047 8.888 -0.328 1.00 0.00 C ATOM 0 H MET A 40 -10.895 7.470 0.094 1.00 0.00 H new ATOM 0 HA MET A 40 -13.493 6.560 0.311 1.00 0.00 H new ATOM 0 HB2 MET A 40 -11.499 6.452 -1.982 1.00 0.00 H new ATOM 0 HB3 MET A 40 -13.192 6.042 -2.174 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.461 8.694 -0.953 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.307 8.483 -2.686 1.00 0.00 H new ATOM 0 HE1 MET A 40 -15.913 9.549 -0.360 1.00 0.00 H new ATOM 0 HE2 MET A 40 -15.291 7.999 0.253 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.210 9.408 0.138 1.00 0.00 H new ATOM 593 N GLN A 41 -11.384 4.107 -0.406 1.00 0.00 N ATOM 594 CA GLN A 41 -11.221 2.658 -0.368 1.00 0.00 C ATOM 595 C GLN A 41 -11.245 2.145 1.069 1.00 0.00 C ATOM 596 O GLN A 41 -11.550 0.980 1.316 1.00 0.00 O ATOM 597 CB GLN A 41 -9.910 2.253 -1.044 1.00 0.00 C ATOM 598 CG GLN A 41 -10.013 2.150 -2.557 1.00 0.00 C ATOM 599 CD GLN A 41 -8.900 1.316 -3.162 1.00 0.00 C ATOM 600 OE1 GLN A 41 -8.103 0.710 -2.445 1.00 0.00 O ATOM 601 NE2 GLN A 41 -8.840 1.282 -4.488 1.00 0.00 N ATOM 0 H GLN A 41 -10.563 4.616 -0.733 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.054 2.210 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.139 2.981 -0.789 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.586 1.292 -0.644 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.975 1.713 -2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.988 3.151 -2.988 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.522 1.800 -5.043 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.112 0.738 -4.952 1.00 0.00 H new ATOM 610 N ASN A 42 -10.922 3.025 2.011 1.00 0.00 N ATOM 611 CA ASN A 42 -10.906 2.660 3.423 1.00 0.00 C ATOM 612 C ASN A 42 -9.866 1.577 3.694 1.00 0.00 C ATOM 613 O ASN A 42 -10.151 0.578 4.356 1.00 0.00 O ATOM 614 CB ASN A 42 -12.289 2.177 3.862 1.00 0.00 C ATOM 615 CG ASN A 42 -13.229 3.324 4.178 1.00 0.00 C ATOM 616 OD1 ASN A 42 -13.000 4.089 5.115 1.00 0.00 O ATOM 617 ND2 ASN A 42 -14.295 3.448 3.395 1.00 0.00 N ATOM 0 H ASN A 42 -10.668 3.995 1.823 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.639 3.546 3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.723 1.562 3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.187 1.542 4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.964 4.201 3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.445 2.791 2.630 1.00 0.00 H new ATOM 624 N LYS A 43 -8.659 1.781 3.177 1.00 0.00 N ATOM 625 CA LYS A 43 -7.575 0.823 3.364 1.00 0.00 C ATOM 626 C LYS A 43 -6.308 1.523 3.844 1.00 0.00 C ATOM 627 O LYS A 43 -6.094 2.702 3.563 1.00 0.00 O ATOM 628 CB LYS A 43 -7.294 0.079 2.056 1.00 0.00 C ATOM 629 CG LYS A 43 -8.449 -0.794 1.594 1.00 0.00 C ATOM 630 CD LYS A 43 -8.425 -0.997 0.088 1.00 0.00 C ATOM 631 CE LYS A 43 -9.781 -1.445 -0.435 1.00 0.00 C ATOM 632 NZ LYS A 43 -9.660 -2.212 -1.706 1.00 0.00 N ATOM 0 H LYS A 43 -8.407 2.601 2.625 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.884 0.106 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.064 0.805 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.408 -0.543 2.184 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.398 -1.761 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.393 -0.334 1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.134 -0.067 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.671 -1.741 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.274 -2.062 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.414 -0.573 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.606 -2.499 -2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.213 -1.615 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.077 -3.058 -1.547 1.00 0.00 H new ATOM 646 N TRP A 44 -5.471 0.789 4.568 1.00 0.00 N ATOM 647 CA TRP A 44 -4.223 1.340 5.086 1.00 0.00 C ATOM 648 C TRP A 44 -3.282 1.719 3.949 1.00 0.00 C ATOM 649 O TRP A 44 -3.440 1.257 2.818 1.00 0.00 O ATOM 650 CB TRP A 44 -3.543 0.331 6.013 1.00 0.00 C ATOM 651 CG TRP A 44 -4.347 0.013 7.237 1.00 0.00 C ATOM 652 CD1 TRP A 44 -4.891 -1.195 7.569 1.00 0.00 C ATOM 653 CD2 TRP A 44 -4.698 0.916 8.291 1.00 0.00 C ATOM 654 NE1 TRP A 44 -5.560 -1.097 8.766 1.00 0.00 N ATOM 655 CE2 TRP A 44 -5.456 0.188 9.229 1.00 0.00 C ATOM 656 CE3 TRP A 44 -4.445 2.269 8.534 1.00 0.00 C ATOM 657 CZ2 TRP A 44 -5.961 0.769 10.389 1.00 0.00 C ATOM 658 CZ3 TRP A 44 -4.948 2.844 9.685 1.00 0.00 C ATOM 659 CH2 TRP A 44 -5.698 2.095 10.601 1.00 0.00 C ATOM 0 H TRP A 44 -5.633 -0.189 4.810 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.459 2.241 5.652 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.356 -0.590 5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.573 0.724 6.316 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -4.808 -2.095 6.978 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.054 -1.857 9.233 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.867 2.854 7.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.540 0.194 11.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.760 3.889 9.882 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.076 2.574 11.492 1.00 0.00 H new ATOM 670 N LEU A 45 -2.302 2.563 4.254 1.00 0.00 N ATOM 671 CA LEU A 45 -1.334 3.005 3.256 1.00 0.00 C ATOM 672 C LEU A 45 0.051 2.439 3.553 1.00 0.00 C ATOM 673 O LEU A 45 0.637 2.722 4.598 1.00 0.00 O ATOM 674 CB LEU A 45 -1.275 4.532 3.215 1.00 0.00 C ATOM 675 CG LEU A 45 -0.103 5.139 2.442 1.00 0.00 C ATOM 676 CD1 LEU A 45 -0.098 4.642 1.005 1.00 0.00 C ATOM 677 CD2 LEU A 45 -0.167 6.659 2.483 1.00 0.00 C ATOM 0 H LEU A 45 -2.157 2.955 5.184 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.657 2.634 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.203 4.900 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.239 4.902 4.240 1.00 0.00 H new ATOM 0 HG LEU A 45 0.825 4.822 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.743 5.084 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.003 3.556 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.030 4.929 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.675 7.074 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.100 6.996 2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.121 6.997 3.518 1.00 0.00 H new ATOM 689 N MET A 46 0.569 1.640 2.627 1.00 0.00 N ATOM 690 CA MET A 46 1.888 1.037 2.789 1.00 0.00 C ATOM 691 C MET A 46 2.941 1.816 2.007 1.00 0.00 C ATOM 692 O MET A 46 2.851 1.945 0.786 1.00 0.00 O ATOM 693 CB MET A 46 1.866 -0.421 2.325 1.00 0.00 C ATOM 694 CG MET A 46 3.106 -1.204 2.724 1.00 0.00 C ATOM 695 SD MET A 46 3.178 -1.537 4.495 1.00 0.00 S ATOM 696 CE MET A 46 2.012 -2.890 4.631 1.00 0.00 C ATOM 0 H MET A 46 0.097 1.395 1.757 1.00 0.00 H new ATOM 0 HA MET A 46 2.148 1.070 3.847 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.986 -0.913 2.740 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.763 -0.447 1.240 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.125 -2.148 2.180 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.994 -0.646 2.427 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.416 -2.767 5.535 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.355 -2.893 3.761 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.554 -3.834 4.680 1.00 0.00 H new ATOM 706 N ILE A 47 3.937 2.332 2.718 1.00 0.00 N ATOM 707 CA ILE A 47 5.007 3.097 2.090 1.00 0.00 C ATOM 708 C ILE A 47 6.300 2.290 2.034 1.00 0.00 C ATOM 709 O ILE A 47 6.745 1.742 3.041 1.00 0.00 O ATOM 710 CB ILE A 47 5.271 4.417 2.839 1.00 0.00 C ATOM 711 CG1 ILE A 47 3.984 5.240 2.935 1.00 0.00 C ATOM 712 CG2 ILE A 47 6.364 5.212 2.142 1.00 0.00 C ATOM 713 CD1 ILE A 47 3.479 5.729 1.596 1.00 0.00 C ATOM 0 H ILE A 47 4.026 2.234 3.729 1.00 0.00 H new ATOM 0 HA ILE A 47 4.679 3.324 1.076 1.00 0.00 H new ATOM 0 HB ILE A 47 5.607 4.184 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.210 4.635 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.159 6.098 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.539 6.142 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.283 4.626 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.055 5.439 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.565 6.305 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.236 6.360 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.272 4.875 0.951 1.00 0.00 H new ATOM 725 N ASN A 48 6.900 2.225 0.850 1.00 0.00 N ATOM 726 CA ASN A 48 8.143 1.486 0.663 1.00 0.00 C ATOM 727 C ASN A 48 9.133 2.290 -0.175 1.00 0.00 C ATOM 728 O ASN A 48 8.856 2.627 -1.327 1.00 0.00 O ATOM 729 CB ASN A 48 7.865 0.140 -0.009 1.00 0.00 C ATOM 730 CG ASN A 48 6.747 -0.626 0.672 1.00 0.00 C ATOM 731 OD1 ASN A 48 5.729 -0.941 0.055 1.00 0.00 O ATOM 732 ND2 ASN A 48 6.932 -0.929 1.952 1.00 0.00 N ATOM 0 H ASN A 48 6.546 2.675 0.006 1.00 0.00 H new ATOM 0 HA ASN A 48 8.583 1.310 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.604 0.306 -1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.773 -0.463 0.001 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.214 -1.443 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.792 -0.648 2.424 1.00 0.00 H new ATOM 739 N ILE A 49 10.286 2.593 0.411 1.00 0.00 N ATOM 740 CA ILE A 49 11.317 3.356 -0.282 1.00 0.00 C ATOM 741 C ILE A 49 12.359 2.433 -0.905 1.00 0.00 C ATOM 742 O ILE A 49 12.876 1.531 -0.245 1.00 0.00 O ATOM 743 CB ILE A 49 12.023 4.341 0.668 1.00 0.00 C ATOM 744 CG1 ILE A 49 11.011 5.323 1.263 1.00 0.00 C ATOM 745 CG2 ILE A 49 13.124 5.089 -0.068 1.00 0.00 C ATOM 746 CD1 ILE A 49 10.275 6.138 0.223 1.00 0.00 C ATOM 0 H ILE A 49 10.530 2.322 1.364 1.00 0.00 H new ATOM 0 HA ILE A 49 10.816 3.919 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 49 12.476 3.776 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 49 10.286 4.768 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 49 11.530 5.999 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 49 13.614 5.781 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 49 13.856 4.377 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.692 5.646 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.575 6.812 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.991 6.720 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.728 5.470 -0.442 1.00 0.00 H new ATOM 758 N GLN A 50 12.663 2.665 -2.177 1.00 0.00 N ATOM 759 CA GLN A 50 13.645 1.855 -2.888 1.00 0.00 C ATOM 760 C GLN A 50 14.926 2.645 -3.137 1.00 0.00 C ATOM 761 O GLN A 50 14.924 3.634 -3.868 1.00 0.00 O ATOM 762 CB GLN A 50 13.067 1.366 -4.217 1.00 0.00 C ATOM 763 CG GLN A 50 12.235 0.100 -4.090 1.00 0.00 C ATOM 764 CD GLN A 50 12.284 -0.759 -5.339 1.00 0.00 C ATOM 765 OE1 GLN A 50 11.504 -0.562 -6.271 1.00 0.00 O ATOM 766 NE2 GLN A 50 13.202 -1.718 -5.363 1.00 0.00 N ATOM 0 H GLN A 50 12.244 3.407 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 50 13.887 0.993 -2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.450 2.155 -4.647 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.885 1.185 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.592 -0.481 -3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.200 0.370 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.828 -1.845 -4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.281 -2.328 -6.177 1.00 0.00 H new ATOM 775 N ASN A 51 16.018 2.200 -2.523 1.00 0.00 N ATOM 776 CA ASN A 51 17.306 2.867 -2.677 1.00 0.00 C ATOM 777 C ASN A 51 18.035 2.361 -3.918 1.00 0.00 C ATOM 778 O ASN A 51 18.432 1.197 -3.987 1.00 0.00 O ATOM 779 CB ASN A 51 18.172 2.642 -1.436 1.00 0.00 C ATOM 780 CG ASN A 51 18.089 1.217 -0.924 1.00 0.00 C ATOM 781 OD1 ASN A 51 18.005 1.066 0.393 1.00 0.00 O flip ATOM 782 ND2 ASN A 51 18.099 0.264 -1.703 1.00 0.00 N flip ATOM 0 H ASN A 51 16.037 1.381 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 51 17.122 3.935 -2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 51 19.209 2.881 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 51 17.858 3.327 -0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 51 18.165 0.427 -2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 51 18.041 -0.689 -1.344 1.00 0.00 H new ATOM 789 N VAL A 52 18.208 3.243 -4.897 1.00 0.00 N ATOM 790 CA VAL A 52 18.891 2.887 -6.135 1.00 0.00 C ATOM 791 C VAL A 52 20.322 2.436 -5.864 1.00 0.00 C ATOM 792 O VAL A 52 20.871 1.610 -6.592 1.00 0.00 O ATOM 793 CB VAL A 52 18.916 4.069 -7.122 1.00 0.00 C ATOM 794 CG1 VAL A 52 19.718 5.228 -6.548 1.00 0.00 C ATOM 795 CG2 VAL A 52 19.484 3.631 -8.464 1.00 0.00 C ATOM 0 H VAL A 52 17.885 4.210 -4.857 1.00 0.00 H new ATOM 0 HA VAL A 52 18.332 2.064 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 52 17.892 4.409 -7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 52 19.724 6.054 -7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 52 19.263 5.558 -5.614 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.741 4.904 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 52 19.494 4.479 -9.149 1.00 0.00 H new ATOM 0 HG22 VAL A 52 20.501 3.264 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 52 18.864 2.836 -8.879 1.00 0.00 H new ATOM 892 N CYS A 59 16.605 -6.236 -2.399 1.00 0.00 N ATOM 893 CA CYS A 59 16.752 -7.657 -2.102 1.00 0.00 C ATOM 894 C CYS A 59 15.445 -8.240 -1.575 1.00 0.00 C ATOM 895 O CYS A 59 15.138 -9.411 -1.804 1.00 0.00 O ATOM 896 CB CYS A 59 17.870 -7.874 -1.082 1.00 0.00 C ATOM 897 SG CYS A 59 17.382 -7.547 0.629 1.00 0.00 S ATOM 0 HA CYS A 59 17.011 -8.171 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 59 18.222 -8.903 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.711 -7.230 -1.338 1.00 0.00 H new ATOM 0 HG CYS A 59 18.394 -7.760 1.417 1.00 0.00 H new ATOM 903 N LEU A 60 14.680 -7.418 -0.866 1.00 0.00 N ATOM 904 CA LEU A 60 13.406 -7.852 -0.304 1.00 0.00 C ATOM 905 C LEU A 60 12.439 -8.273 -1.406 1.00 0.00 C ATOM 906 O LEU A 60 11.774 -9.302 -1.302 1.00 0.00 O ATOM 907 CB LEU A 60 12.786 -6.731 0.533 1.00 0.00 C ATOM 908 CG LEU A 60 13.365 -6.542 1.936 1.00 0.00 C ATOM 909 CD1 LEU A 60 14.524 -5.559 1.908 1.00 0.00 C ATOM 910 CD2 LEU A 60 12.285 -6.069 2.898 1.00 0.00 C ATOM 0 H LEU A 60 14.920 -6.447 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 60 13.595 -8.713 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.896 -5.794 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.717 -6.923 0.626 1.00 0.00 H new ATOM 0 HG LEU A 60 13.741 -7.504 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.923 -5.438 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.307 -5.938 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.175 -4.595 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.714 -5.940 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.880 -5.118 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.487 -6.810 2.941 1.00 0.00 H new ATOM 922 N ASN A 61 12.369 -7.469 -2.463 1.00 0.00 N ATOM 923 CA ASN A 61 11.485 -7.760 -3.586 1.00 0.00 C ATOM 924 C ASN A 61 11.670 -9.195 -4.067 1.00 0.00 C ATOM 925 O ASN A 61 10.838 -9.726 -4.803 1.00 0.00 O ATOM 926 CB ASN A 61 11.751 -6.786 -4.736 1.00 0.00 C ATOM 927 CG ASN A 61 10.547 -6.621 -5.643 1.00 0.00 C ATOM 928 OD1 ASN A 61 10.410 -7.323 -6.646 1.00 0.00 O ATOM 929 ND2 ASN A 61 9.667 -5.689 -5.295 1.00 0.00 N ATOM 0 H ASN A 61 12.913 -6.612 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 61 10.456 -7.640 -3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 61 12.032 -5.815 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.598 -7.142 -5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.837 -5.532 -5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.821 -5.130 -4.455 1.00 0.00 H new ATOM 936 N ARG A 62 12.765 -9.819 -3.645 1.00 0.00 N ATOM 937 CA ARG A 62 13.060 -11.193 -4.033 1.00 0.00 C ATOM 938 C ARG A 62 12.002 -12.149 -3.491 1.00 0.00 C ATOM 939 O ARG A 62 11.289 -12.800 -4.256 1.00 0.00 O ATOM 940 CB ARG A 62 14.443 -11.603 -3.524 1.00 0.00 C ATOM 941 CG ARG A 62 15.004 -12.836 -4.214 1.00 0.00 C ATOM 942 CD ARG A 62 15.425 -12.532 -5.643 1.00 0.00 C ATOM 943 NE ARG A 62 16.746 -11.914 -5.705 1.00 0.00 N ATOM 944 CZ ARG A 62 17.791 -12.472 -6.305 1.00 0.00 C ATOM 945 NH1 ARG A 62 17.670 -13.655 -6.891 1.00 0.00 N ATOM 946 NH2 ARG A 62 18.962 -11.846 -6.319 1.00 0.00 N ATOM 0 H ARG A 62 13.463 -9.394 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 62 13.051 -11.247 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.134 -10.772 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.385 -11.791 -2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.860 -13.210 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.254 -13.627 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.429 -13.454 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.693 -11.869 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 62 16.873 -11.004 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.772 -14.139 -6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.475 -14.081 -7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.059 -10.936 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.764 -12.275 -6.780 1.00 0.00 H new ATOM 960 N ASP A 63 11.907 -12.230 -2.169 1.00 0.00 N ATOM 961 CA ASP A 63 10.936 -13.107 -1.524 1.00 0.00 C ATOM 962 C ASP A 63 9.947 -12.301 -0.687 1.00 0.00 C ATOM 963 O ASP A 63 8.759 -12.617 -0.636 1.00 0.00 O ATOM 964 CB ASP A 63 11.650 -14.134 -0.644 1.00 0.00 C ATOM 965 CG ASP A 63 10.872 -15.429 -0.518 1.00 0.00 C ATOM 966 OD1 ASP A 63 10.128 -15.768 -1.462 1.00 0.00 O ATOM 967 OD2 ASP A 63 11.006 -16.104 0.524 1.00 0.00 O ATOM 0 H ASP A 63 12.490 -11.699 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 63 10.382 -13.630 -2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.635 -14.344 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.808 -13.711 0.348 1.00 0.00 H new ATOM 972 N VAL A 64 10.447 -11.259 -0.031 1.00 0.00 N ATOM 973 CA VAL A 64 9.609 -10.407 0.804 1.00 0.00 C ATOM 974 C VAL A 64 8.347 -9.980 0.061 1.00 0.00 C ATOM 975 O VAL A 64 7.250 -10.453 0.359 1.00 0.00 O ATOM 976 CB VAL A 64 10.369 -9.150 1.266 1.00 0.00 C ATOM 977 CG1 VAL A 64 9.482 -8.282 2.146 1.00 0.00 C ATOM 978 CG2 VAL A 64 11.645 -9.538 1.998 1.00 0.00 C ATOM 0 H VAL A 64 11.429 -10.984 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 64 9.332 -10.996 1.678 1.00 0.00 H new ATOM 0 HB VAL A 64 10.645 -8.569 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.037 -7.399 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.600 -7.975 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.173 -8.850 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.169 -8.637 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.395 -10.141 2.871 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.286 -10.114 1.331 1.00 0.00 H new ATOM 988 N TRP A 65 8.511 -9.085 -0.906 1.00 0.00 N ATOM 989 CA TRP A 65 7.385 -8.595 -1.693 1.00 0.00 C ATOM 990 C TRP A 65 6.893 -9.663 -2.664 1.00 0.00 C ATOM 991 O TRP A 65 5.691 -9.900 -2.782 1.00 0.00 O ATOM 992 CB TRP A 65 7.784 -7.334 -2.461 1.00 0.00 C ATOM 993 CG TRP A 65 8.431 -6.293 -1.599 1.00 0.00 C ATOM 994 CD1 TRP A 65 9.600 -5.633 -1.849 1.00 0.00 C ATOM 995 CD2 TRP A 65 7.946 -5.794 -0.347 1.00 0.00 C ATOM 996 NE1 TRP A 65 9.872 -4.754 -0.828 1.00 0.00 N ATOM 997 CE2 TRP A 65 8.872 -4.833 0.105 1.00 0.00 C ATOM 998 CE3 TRP A 65 6.820 -6.064 0.434 1.00 0.00 C ATOM 999 CZ2 TRP A 65 8.704 -4.144 1.303 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 6.654 -5.380 1.624 1.00 0.00 C ATOM 1001 CH2 TRP A 65 7.592 -4.429 2.048 1.00 0.00 C ATOM 0 H TRP A 65 9.412 -8.684 -1.164 1.00 0.00 H new ATOM 0 HA TRP A 65 6.573 -8.353 -1.008 1.00 0.00 H new ATOM 0 HB2 TRP A 65 8.469 -7.608 -3.264 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.897 -6.907 -2.930 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.220 -5.780 -2.721 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.686 -4.142 -0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.092 -6.794 0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 9.425 -3.411 1.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 5.788 -5.582 2.237 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.434 -3.910 2.982 1.00 0.00 H new ATOM 1012 N SER A 66 7.830 -10.303 -3.356 1.00 0.00 N ATOM 1013 CA SER A 66 7.490 -11.344 -4.320 1.00 0.00 C ATOM 1014 C SER A 66 6.410 -12.267 -3.765 1.00 0.00 C ATOM 1015 O SER A 66 5.556 -12.756 -4.503 1.00 0.00 O ATOM 1016 CB SER A 66 8.734 -12.157 -4.683 1.00 0.00 C ATOM 1017 OG SER A 66 8.517 -12.924 -5.855 1.00 0.00 O ATOM 0 H SER A 66 8.829 -10.120 -3.268 1.00 0.00 H new ATOM 0 HA SER A 66 7.104 -10.861 -5.218 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.579 -11.486 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.995 -12.817 -3.856 1.00 0.00 H new ATOM 0 HG SER A 66 9.340 -13.400 -6.092 1.00 0.00 H new ATOM 1023 N ASN A 67 6.454 -12.500 -2.457 1.00 0.00 N ATOM 1024 CA ASN A 67 5.479 -13.364 -1.801 1.00 0.00 C ATOM 1025 C ASN A 67 4.056 -12.900 -2.094 1.00 0.00 C ATOM 1026 O ASN A 67 3.616 -11.865 -1.595 1.00 0.00 O ATOM 1027 CB ASN A 67 5.720 -13.386 -0.290 1.00 0.00 C ATOM 1028 CG ASN A 67 4.894 -14.446 0.412 1.00 0.00 C ATOM 1029 OD1 ASN A 67 3.666 -14.456 0.316 1.00 0.00 O ATOM 1030 ND2 ASN A 67 5.565 -15.344 1.123 1.00 0.00 N ATOM 0 H ASN A 67 7.154 -12.103 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 67 5.601 -14.373 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 67 6.777 -13.566 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.481 -12.408 0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.063 -16.081 1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.583 -15.297 1.174 1.00 0.00 H new ATOM 1037 N GLU A 68 3.342 -13.673 -2.906 1.00 0.00 N ATOM 1038 CA GLU A 68 1.968 -13.340 -3.265 1.00 0.00 C ATOM 1039 C GLU A 68 1.160 -12.959 -2.028 1.00 0.00 C ATOM 1040 O GLU A 68 0.528 -11.904 -1.987 1.00 0.00 O ATOM 1041 CB GLU A 68 1.304 -14.519 -3.979 1.00 0.00 C ATOM 1042 CG GLU A 68 0.021 -14.148 -4.704 1.00 0.00 C ATOM 1043 CD GLU A 68 0.274 -13.319 -5.948 1.00 0.00 C ATOM 1044 OE1 GLU A 68 1.006 -13.797 -6.840 1.00 0.00 O ATOM 1045 OE2 GLU A 68 -0.260 -12.193 -6.030 1.00 0.00 O ATOM 0 H GLU A 68 3.692 -14.534 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 68 1.993 -12.484 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.008 -14.941 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.086 -15.299 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.512 -15.058 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.627 -13.592 -4.027 1.00 0.00 H new ATOM 1052 N ALA A 69 1.184 -13.827 -1.022 1.00 0.00 N ATOM 1053 CA ALA A 69 0.455 -13.582 0.216 1.00 0.00 C ATOM 1054 C ALA A 69 0.704 -12.168 0.728 1.00 0.00 C ATOM 1055 O ALA A 69 -0.233 -11.453 1.087 1.00 0.00 O ATOM 1056 CB ALA A 69 0.849 -14.605 1.272 1.00 0.00 C ATOM 0 H ALA A 69 1.701 -14.706 -1.040 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.610 -13.683 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.297 -14.410 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.614 -15.607 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.919 -14.531 1.469 1.00 0.00 H new ATOM 1062 N VAL A 70 1.971 -11.769 0.761 1.00 0.00 N ATOM 1063 CA VAL A 70 2.342 -10.439 1.229 1.00 0.00 C ATOM 1064 C VAL A 70 1.780 -9.357 0.314 1.00 0.00 C ATOM 1065 O VAL A 70 1.270 -8.338 0.779 1.00 0.00 O ATOM 1066 CB VAL A 70 3.872 -10.281 1.313 1.00 0.00 C ATOM 1067 CG1 VAL A 70 4.241 -8.858 1.706 1.00 0.00 C ATOM 1068 CG2 VAL A 70 4.458 -11.282 2.297 1.00 0.00 C ATOM 0 H VAL A 70 2.758 -12.348 0.469 1.00 0.00 H new ATOM 0 HA VAL A 70 1.916 -10.324 2.226 1.00 0.00 H new ATOM 0 HB VAL A 70 4.295 -10.483 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.326 -8.765 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.854 -8.163 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.808 -8.625 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.540 -11.156 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.030 -11.114 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.225 -12.295 1.968 1.00 0.00 H new ATOM 1078 N LYS A 71 1.876 -9.586 -0.991 1.00 0.00 N ATOM 1079 CA LYS A 71 1.375 -8.632 -1.974 1.00 0.00 C ATOM 1080 C LYS A 71 -0.139 -8.482 -1.864 1.00 0.00 C ATOM 1081 O LYS A 71 -0.644 -7.401 -1.566 1.00 0.00 O ATOM 1082 CB LYS A 71 1.752 -9.081 -3.388 1.00 0.00 C ATOM 1083 CG LYS A 71 3.152 -8.663 -3.806 1.00 0.00 C ATOM 1084 CD LYS A 71 3.667 -9.511 -4.957 1.00 0.00 C ATOM 1085 CE LYS A 71 4.725 -8.773 -5.762 1.00 0.00 C ATOM 1086 NZ LYS A 71 5.401 -9.669 -6.741 1.00 0.00 N ATOM 0 H LYS A 71 2.296 -10.424 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 71 1.834 -7.664 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.673 -10.166 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.032 -8.669 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.147 -7.613 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.828 -8.752 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.086 -10.439 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.837 -9.784 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.263 -7.939 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.467 -8.349 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.401 -9.396 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.339 -10.653 -6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.936 -9.584 -7.668 1.00 0.00 H new ATOM 1100 N ASN A 72 -0.857 -9.574 -2.106 1.00 0.00 N ATOM 1101 CA ASN A 72 -2.313 -9.563 -2.033 1.00 0.00 C ATOM 1102 C ASN A 72 -2.791 -8.773 -0.818 1.00 0.00 C ATOM 1103 O ASN A 72 -3.868 -8.176 -0.838 1.00 0.00 O ATOM 1104 CB ASN A 72 -2.852 -10.993 -1.970 1.00 0.00 C ATOM 1105 CG ASN A 72 -2.413 -11.830 -3.155 1.00 0.00 C ATOM 1106 OD1 ASN A 72 -1.739 -11.338 -4.061 1.00 0.00 O ATOM 1107 ND2 ASN A 72 -2.794 -13.102 -3.156 1.00 0.00 N ATOM 0 H ASN A 72 -0.454 -10.478 -2.354 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.693 -9.078 -2.932 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.512 -11.466 -1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.941 -10.966 -1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.529 -13.713 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.352 -13.468 -2.385 1.00 0.00 H new ATOM 1114 N ILE A 73 -1.983 -8.774 0.236 1.00 0.00 N ATOM 1115 CA ILE A 73 -2.322 -8.056 1.459 1.00 0.00 C ATOM 1116 C ILE A 73 -1.999 -6.571 1.332 1.00 0.00 C ATOM 1117 O ILE A 73 -2.834 -5.717 1.631 1.00 0.00 O ATOM 1118 CB ILE A 73 -1.573 -8.631 2.675 1.00 0.00 C ATOM 1119 CG1 ILE A 73 -2.030 -10.064 2.953 1.00 0.00 C ATOM 1120 CG2 ILE A 73 -1.794 -7.752 3.897 1.00 0.00 C ATOM 1121 CD1 ILE A 73 -1.147 -10.801 3.936 1.00 0.00 C ATOM 0 H ILE A 73 -1.089 -9.264 0.268 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.394 -8.180 1.611 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.506 -8.647 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.050 -10.043 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.055 -10.617 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.258 -8.171 4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.423 -6.747 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.859 -7.707 4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.531 -11.810 4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.131 -10.854 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.141 -10.271 4.888 1.00 0.00 H new ATOM 1133 N ILE A 74 -0.784 -6.271 0.885 1.00 0.00 N ATOM 1134 CA ILE A 74 -0.353 -4.889 0.716 1.00 0.00 C ATOM 1135 C ILE A 74 -1.202 -4.172 -0.328 1.00 0.00 C ATOM 1136 O ILE A 74 -1.213 -2.943 -0.396 1.00 0.00 O ATOM 1137 CB ILE A 74 1.128 -4.809 0.299 1.00 0.00 C ATOM 1138 CG1 ILE A 74 2.017 -5.447 1.369 1.00 0.00 C ATOM 1139 CG2 ILE A 74 1.533 -3.363 0.059 1.00 0.00 C ATOM 1140 CD1 ILE A 74 3.401 -5.799 0.873 1.00 0.00 C ATOM 0 H ILE A 74 -0.081 -6.966 0.634 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.478 -4.399 1.682 1.00 0.00 H new ATOM 0 HB ILE A 74 1.259 -5.361 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.105 -4.762 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.533 -6.350 1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.582 -3.323 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.917 -2.940 -0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.390 -2.789 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.975 -6.247 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.323 -6.508 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.904 -4.896 0.528 1.00 0.00 H new ATOM 1152 N ARG A 75 -1.915 -4.948 -1.138 1.00 0.00 N ATOM 1153 CA ARG A 75 -2.768 -4.387 -2.178 1.00 0.00 C ATOM 1154 C ARG A 75 -4.212 -4.277 -1.696 1.00 0.00 C ATOM 1155 O ARG A 75 -4.868 -3.257 -1.900 1.00 0.00 O ATOM 1156 CB ARG A 75 -2.705 -5.249 -3.440 1.00 0.00 C ATOM 1157 CG ARG A 75 -3.419 -6.584 -3.302 1.00 0.00 C ATOM 1158 CD ARG A 75 -3.390 -7.368 -4.605 1.00 0.00 C ATOM 1159 NE ARG A 75 -4.151 -6.704 -5.660 1.00 0.00 N ATOM 1160 CZ ARG A 75 -3.911 -6.873 -6.956 1.00 0.00 C ATOM 1161 NH1 ARG A 75 -2.937 -7.679 -7.354 1.00 0.00 N ATOM 1162 NH2 ARG A 75 -4.647 -6.234 -7.856 1.00 0.00 N ATOM 0 H ARG A 75 -1.919 -5.967 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.403 -3.387 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.144 -4.696 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.661 -5.430 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.948 -7.170 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.453 -6.416 -3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.357 -7.495 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.797 -8.365 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.908 -6.077 -5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.369 -8.172 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.755 -7.807 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.397 -5.613 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.463 -6.364 -8.851 1.00 0.00 H new ATOM 1176 N GLU A 76 -4.699 -5.336 -1.056 1.00 0.00 N ATOM 1177 CA GLU A 76 -6.065 -5.358 -0.547 1.00 0.00 C ATOM 1178 C GLU A 76 -6.173 -4.569 0.755 1.00 0.00 C ATOM 1179 O GLU A 76 -6.862 -3.550 0.822 1.00 0.00 O ATOM 1180 CB GLU A 76 -6.526 -6.800 -0.322 1.00 0.00 C ATOM 1181 CG GLU A 76 -8.029 -6.985 -0.447 1.00 0.00 C ATOM 1182 CD GLU A 76 -8.529 -8.210 0.292 1.00 0.00 C ATOM 1183 OE1 GLU A 76 -8.275 -8.312 1.511 1.00 0.00 O ATOM 1184 OE2 GLU A 76 -9.174 -9.068 -0.347 1.00 0.00 O ATOM 0 H GLU A 76 -4.168 -6.189 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.710 -4.890 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.027 -7.449 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.210 -7.123 0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.534 -6.100 -0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.295 -7.067 -1.501 1.00 0.00 H new ATOM 1191 N HIS A 77 -5.488 -5.048 1.789 1.00 0.00 N ATOM 1192 CA HIS A 77 -5.506 -4.388 3.090 1.00 0.00 C ATOM 1193 C HIS A 77 -4.842 -3.017 3.013 1.00 0.00 C ATOM 1194 O HIS A 77 -5.343 -2.041 3.572 1.00 0.00 O ATOM 1195 CB HIS A 77 -4.799 -5.252 4.134 1.00 0.00 C ATOM 1196 CG HIS A 77 -5.488 -6.555 4.399 1.00 0.00 C ATOM 1197 ND1 HIS A 77 -5.119 -7.826 4.113 1.00 0.00 N flip ATOM 1198 CD2 HIS A 77 -6.711 -6.645 5.030 1.00 0.00 C flip ATOM 1199 CE1 HIS A 77 -6.115 -8.652 4.573 1.00 0.00 C flip ATOM 1200 NE2 HIS A 77 -7.063 -7.915 5.123 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.914 -5.890 1.751 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.546 -4.252 3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.781 -5.450 3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.725 -4.693 5.067 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.290 -5.808 5.392 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.122 -9.729 4.497 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -7.921 -8.267 5.548 1.00 0.00 H new ATOM 1209 N PHE A 78 -3.712 -2.950 2.317 1.00 0.00 N ATOM 1210 CA PHE A 78 -2.978 -1.699 2.168 1.00 0.00 C ATOM 1211 C PHE A 78 -2.903 -1.283 0.702 1.00 0.00 C ATOM 1212 O PHE A 78 -3.397 -1.987 -0.180 1.00 0.00 O ATOM 1213 CB PHE A 78 -1.567 -1.839 2.743 1.00 0.00 C ATOM 1214 CG PHE A 78 -1.542 -2.378 4.145 1.00 0.00 C ATOM 1215 CD1 PHE A 78 -1.827 -3.710 4.394 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -1.234 -1.551 5.213 1.00 0.00 C ATOM 1217 CE1 PHE A 78 -1.804 -4.210 5.683 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.209 -2.045 6.504 1.00 0.00 C ATOM 1219 CZ PHE A 78 -1.496 -3.375 6.739 1.00 0.00 C ATOM 0 H PHE A 78 -3.284 -3.748 1.847 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.513 -0.926 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.984 -2.497 2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.079 -0.865 2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.070 -4.366 3.571 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.011 -0.509 5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.026 -5.251 5.864 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.965 -1.391 7.328 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.480 -3.762 7.747 1.00 0.00 H new ATOM 1229 N ILE A 79 -2.283 -0.135 0.450 1.00 0.00 N ATOM 1230 CA ILE A 79 -2.143 0.374 -0.909 1.00 0.00 C ATOM 1231 C ILE A 79 -0.696 0.289 -1.381 1.00 0.00 C ATOM 1232 O ILE A 79 0.139 1.115 -1.011 1.00 0.00 O ATOM 1233 CB ILE A 79 -2.621 1.834 -1.015 1.00 0.00 C ATOM 1234 CG1 ILE A 79 -4.082 1.949 -0.575 1.00 0.00 C ATOM 1235 CG2 ILE A 79 -2.448 2.346 -2.437 1.00 0.00 C ATOM 1236 CD1 ILE A 79 -5.041 1.185 -1.461 1.00 0.00 C ATOM 0 H ILE A 79 -1.870 0.460 1.168 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.768 -0.251 -1.546 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.013 2.449 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.175 1.583 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.368 3.001 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.790 3.379 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.396 2.296 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.034 1.730 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.058 1.311 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.977 1.566 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.780 0.127 -1.452 1.00 0.00 H new ATOM 1248 N PHE A 80 -0.405 -0.714 -2.202 1.00 0.00 N ATOM 1249 CA PHE A 80 0.942 -0.907 -2.727 1.00 0.00 C ATOM 1250 C PHE A 80 1.421 0.338 -3.467 1.00 0.00 C ATOM 1251 O PHE A 80 0.938 0.651 -4.554 1.00 0.00 O ATOM 1252 CB PHE A 80 0.979 -2.117 -3.664 1.00 0.00 C ATOM 1253 CG PHE A 80 2.323 -2.785 -3.727 1.00 0.00 C ATOM 1254 CD1 PHE A 80 3.279 -2.363 -4.637 1.00 0.00 C ATOM 1255 CD2 PHE A 80 2.629 -3.835 -2.877 1.00 0.00 C ATOM 1256 CE1 PHE A 80 4.516 -2.976 -4.697 1.00 0.00 C ATOM 1257 CE2 PHE A 80 3.865 -4.451 -2.932 1.00 0.00 C ATOM 1258 CZ PHE A 80 4.809 -4.022 -3.844 1.00 0.00 C ATOM 0 H PHE A 80 -1.084 -1.406 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 80 1.610 -1.087 -1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.236 -2.844 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.693 -1.799 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 80 3.055 -1.546 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.894 -4.176 -2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.253 -2.637 -5.410 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.092 -5.267 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.775 -4.504 -3.890 1.00 0.00 H new ATOM 1268 N TRP A 81 2.373 1.044 -2.868 1.00 0.00 N ATOM 1269 CA TRP A 81 2.918 2.256 -3.469 1.00 0.00 C ATOM 1270 C TRP A 81 4.428 2.330 -3.274 1.00 0.00 C ATOM 1271 O TRP A 81 4.910 2.508 -2.155 1.00 0.00 O ATOM 1272 CB TRP A 81 2.252 3.494 -2.865 1.00 0.00 C ATOM 1273 CG TRP A 81 2.545 4.755 -3.621 1.00 0.00 C ATOM 1274 CD1 TRP A 81 2.310 4.989 -4.945 1.00 0.00 C ATOM 1275 CD2 TRP A 81 3.129 5.952 -3.096 1.00 0.00 C ATOM 1276 NE1 TRP A 81 2.712 6.261 -5.276 1.00 0.00 N ATOM 1277 CE2 TRP A 81 3.217 6.872 -4.159 1.00 0.00 C ATOM 1278 CE3 TRP A 81 3.583 6.337 -1.832 1.00 0.00 C ATOM 1279 CZ2 TRP A 81 3.743 8.151 -3.994 1.00 0.00 C ATOM 1280 CZ3 TRP A 81 4.105 7.607 -1.671 1.00 0.00 C ATOM 1281 CH2 TRP A 81 4.181 8.501 -2.746 1.00 0.00 C ATOM 0 H TRP A 81 2.783 0.798 -1.967 1.00 0.00 H new ATOM 0 HA TRP A 81 2.710 2.225 -4.539 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.173 3.339 -2.835 1.00 0.00 H new ATOM 0 HB3 TRP A 81 2.586 3.611 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP A 81 1.873 4.279 -5.631 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.645 6.682 -6.203 1.00 0.00 H new ATOM 0 HE3 TRP A 81 3.527 5.655 -0.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 3.803 8.842 -4.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.460 7.915 -0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.594 9.486 -2.587 1.00 0.00 H new ATOM 1292 N GLN A 82 5.170 2.191 -4.368 1.00 0.00 N ATOM 1293 CA GLN A 82 6.626 2.242 -4.315 1.00 0.00 C ATOM 1294 C GLN A 82 7.158 3.440 -5.094 1.00 0.00 C ATOM 1295 O GLN A 82 6.790 3.656 -6.249 1.00 0.00 O ATOM 1296 CB GLN A 82 7.223 0.949 -4.873 1.00 0.00 C ATOM 1297 CG GLN A 82 8.707 0.789 -4.584 1.00 0.00 C ATOM 1298 CD GLN A 82 9.128 -0.664 -4.481 1.00 0.00 C ATOM 1299 OE1 GLN A 82 9.221 -1.368 -5.487 1.00 0.00 O ATOM 1300 NE2 GLN A 82 9.386 -1.121 -3.262 1.00 0.00 N ATOM 0 H GLN A 82 4.787 2.042 -5.301 1.00 0.00 H new ATOM 0 HA GLN A 82 6.923 2.350 -3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.686 0.099 -4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.066 0.922 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.281 1.275 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.949 1.300 -3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.296 -0.503 -2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.674 -2.091 -3.131 1.00 0.00 H new ATOM 1309 N VAL A 83 8.027 4.217 -4.455 1.00 0.00 N ATOM 1310 CA VAL A 83 8.611 5.393 -5.089 1.00 0.00 C ATOM 1311 C VAL A 83 10.088 5.531 -4.738 1.00 0.00 C ATOM 1312 O VAL A 83 10.509 5.187 -3.632 1.00 0.00 O ATOM 1313 CB VAL A 83 7.873 6.679 -4.672 1.00 0.00 C ATOM 1314 CG1 VAL A 83 6.440 6.661 -5.180 1.00 0.00 C ATOM 1315 CG2 VAL A 83 7.910 6.848 -3.161 1.00 0.00 C ATOM 0 H VAL A 83 8.342 4.053 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 83 8.508 5.256 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 83 8.382 7.531 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.935 7.578 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.440 6.591 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.916 5.802 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.384 7.762 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.427 5.993 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.946 6.910 -2.827 1.00 0.00 H new ATOM 1325 N TYR A 84 10.871 6.036 -5.684 1.00 0.00 N ATOM 1326 CA TYR A 84 12.303 6.217 -5.476 1.00 0.00 C ATOM 1327 C TYR A 84 12.572 7.397 -4.546 1.00 0.00 C ATOM 1328 O TYR A 84 11.784 8.340 -4.476 1.00 0.00 O ATOM 1329 CB TYR A 84 13.011 6.436 -6.814 1.00 0.00 C ATOM 1330 CG TYR A 84 13.368 5.151 -7.527 1.00 0.00 C ATOM 1331 CD1 TYR A 84 12.381 4.262 -7.935 1.00 0.00 C ATOM 1332 CD2 TYR A 84 14.693 4.826 -7.793 1.00 0.00 C ATOM 1333 CE1 TYR A 84 12.703 3.087 -8.585 1.00 0.00 C ATOM 1334 CE2 TYR A 84 15.024 3.654 -8.445 1.00 0.00 C ATOM 1335 CZ TYR A 84 14.025 2.788 -8.838 1.00 0.00 C ATOM 1336 OH TYR A 84 14.350 1.619 -9.488 1.00 0.00 O ATOM 0 H TYR A 84 10.538 6.328 -6.603 1.00 0.00 H new ATOM 0 HA TYR A 84 12.694 5.313 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.370 7.035 -7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.920 7.012 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.344 4.494 -7.740 1.00 0.00 H new ATOM 0 HD2 TYR A 84 15.477 5.501 -7.485 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.924 2.406 -8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.058 3.417 -8.646 1.00 0.00 H new ATOM 0 HH TYR A 84 15.323 1.560 -9.589 1.00 0.00 H new ATOM 1346 N HIS A 85 13.694 7.337 -3.834 1.00 0.00 N ATOM 1347 CA HIS A 85 14.070 8.400 -2.910 1.00 0.00 C ATOM 1348 C HIS A 85 14.708 9.568 -3.655 1.00 0.00 C ATOM 1349 O HIS A 85 15.321 10.445 -3.046 1.00 0.00 O ATOM 1350 CB HIS A 85 15.036 7.866 -1.852 1.00 0.00 C ATOM 1351 CG HIS A 85 16.413 7.600 -2.378 1.00 0.00 C ATOM 1352 ND1 HIS A 85 17.605 8.156 -2.060 1.00 0.00 N flip ATOM 1353 CD2 HIS A 85 16.677 6.662 -3.354 1.00 0.00 C flip ATOM 1354 CE1 HIS A 85 18.559 7.550 -2.841 1.00 0.00 C flip ATOM 1355 NE2 HIS A 85 17.973 6.652 -3.612 1.00 0.00 N flip ATOM 0 H HIS A 85 14.357 6.564 -3.880 1.00 0.00 H new ATOM 0 HA HIS A 85 13.165 8.757 -2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.101 8.585 -1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.631 6.944 -1.434 1.00 0.00 H new ATOM 0 HD1 HIS A 85 17.765 8.889 -1.369 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.940 6.034 -3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.616 7.772 -2.827 1.00 0.00 H new ATOM 1364 N ASP A 86 14.559 9.573 -4.975 1.00 0.00 N ATOM 1365 CA ASP A 86 15.120 10.633 -5.804 1.00 0.00 C ATOM 1366 C ASP A 86 14.014 11.472 -6.436 1.00 0.00 C ATOM 1367 O ASP A 86 14.164 12.680 -6.618 1.00 0.00 O ATOM 1368 CB ASP A 86 16.013 10.039 -6.894 1.00 0.00 C ATOM 1369 CG ASP A 86 17.172 9.245 -6.325 1.00 0.00 C ATOM 1370 OD1 ASP A 86 17.853 9.760 -5.413 1.00 0.00 O ATOM 1371 OD2 ASP A 86 17.399 8.108 -6.791 1.00 0.00 O ATOM 0 H ASP A 86 14.054 8.855 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 86 15.721 11.280 -5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 86 15.415 9.393 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 86 16.400 10.843 -7.520 1.00 0.00 H new ATOM 1376 N SER A 87 12.903 10.823 -6.770 1.00 0.00 N ATOM 1377 CA SER A 87 11.773 11.508 -7.386 1.00 0.00 C ATOM 1378 C SER A 87 11.144 12.501 -6.414 1.00 0.00 C ATOM 1379 O SER A 87 11.463 12.509 -5.226 1.00 0.00 O ATOM 1380 CB SER A 87 10.725 10.494 -7.848 1.00 0.00 C ATOM 1381 OG SER A 87 10.333 9.645 -6.783 1.00 0.00 O ATOM 0 H SER A 87 12.761 9.823 -6.624 1.00 0.00 H new ATOM 0 HA SER A 87 12.141 12.058 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.853 11.019 -8.238 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.129 9.896 -8.665 1.00 0.00 H new ATOM 0 HG SER A 87 9.662 9.007 -7.103 1.00 0.00 H new ATOM 1387 N GLU A 88 10.246 13.336 -6.929 1.00 0.00 N ATOM 1388 CA GLU A 88 9.572 14.333 -6.106 1.00 0.00 C ATOM 1389 C GLU A 88 8.901 13.681 -4.901 1.00 0.00 C ATOM 1390 O GLU A 88 9.187 14.029 -3.756 1.00 0.00 O ATOM 1391 CB GLU A 88 8.532 15.091 -6.935 1.00 0.00 C ATOM 1392 CG GLU A 88 8.108 16.413 -6.317 1.00 0.00 C ATOM 1393 CD GLU A 88 7.134 17.179 -7.191 1.00 0.00 C ATOM 1394 OE1 GLU A 88 6.459 16.543 -8.027 1.00 0.00 O ATOM 1395 OE2 GLU A 88 7.046 18.415 -7.037 1.00 0.00 O ATOM 0 H GLU A 88 9.969 13.341 -7.911 1.00 0.00 H new ATOM 0 HA GLU A 88 10.322 15.037 -5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.938 15.278 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.652 14.461 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.649 16.226 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.991 17.027 -6.139 1.00 0.00 H new ATOM 1402 N GLU A 89 8.007 12.735 -5.169 1.00 0.00 N ATOM 1403 CA GLU A 89 7.295 12.035 -4.106 1.00 0.00 C ATOM 1404 C GLU A 89 8.252 11.612 -2.996 1.00 0.00 C ATOM 1405 O GLU A 89 8.117 12.037 -1.849 1.00 0.00 O ATOM 1406 CB GLU A 89 6.573 10.808 -4.667 1.00 0.00 C ATOM 1407 CG GLU A 89 5.543 11.142 -5.733 1.00 0.00 C ATOM 1408 CD GLU A 89 5.273 9.979 -6.668 1.00 0.00 C ATOM 1409 OE1 GLU A 89 6.246 9.405 -7.198 1.00 0.00 O ATOM 1410 OE2 GLU A 89 4.086 9.644 -6.869 1.00 0.00 O ATOM 0 H GLU A 89 7.759 12.436 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 89 6.559 12.720 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.310 10.124 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.080 10.282 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.612 11.440 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.890 11.997 -6.313 1.00 0.00 H new ATOM 1417 N GLY A 90 9.221 10.771 -3.346 1.00 0.00 N ATOM 1418 CA GLY A 90 10.187 10.304 -2.369 1.00 0.00 C ATOM 1419 C GLY A 90 10.756 11.432 -1.531 1.00 0.00 C ATOM 1420 O GLY A 90 10.666 11.408 -0.304 1.00 0.00 O ATOM 0 H GLY A 90 9.354 10.405 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 90 9.713 9.573 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.000 9.791 -2.883 1.00 0.00 H new ATOM 1424 N GLN A 91 11.345 12.421 -2.195 1.00 0.00 N ATOM 1425 CA GLN A 91 11.934 13.561 -1.503 1.00 0.00 C ATOM 1426 C GLN A 91 11.034 14.030 -0.364 1.00 0.00 C ATOM 1427 O GLN A 91 11.489 14.214 0.765 1.00 0.00 O ATOM 1428 CB GLN A 91 12.177 14.710 -2.483 1.00 0.00 C ATOM 1429 CG GLN A 91 13.282 14.429 -3.488 1.00 0.00 C ATOM 1430 CD GLN A 91 14.664 14.699 -2.926 1.00 0.00 C ATOM 1431 OE1 GLN A 91 15.242 15.762 -3.154 1.00 0.00 O ATOM 1432 NE2 GLN A 91 15.202 13.736 -2.187 1.00 0.00 N ATOM 0 H GLN A 91 11.427 12.456 -3.211 1.00 0.00 H new ATOM 0 HA GLN A 91 12.888 13.245 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.252 14.919 -3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.429 15.609 -1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 91 13.221 13.389 -3.808 1.00 0.00 H new ATOM 0 HG3 GLN A 91 13.127 15.045 -4.374 1.00 0.00 H new ATOM 0 HE21 GLN A 91 14.687 12.871 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN A 91 16.130 13.862 -1.783 1.00 0.00 H new ATOM 1441 N ARG A 92 9.754 14.223 -0.668 1.00 0.00 N ATOM 1442 CA ARG A 92 8.791 14.672 0.329 1.00 0.00 C ATOM 1443 C ARG A 92 8.765 13.725 1.525 1.00 0.00 C ATOM 1444 O ARG A 92 9.043 14.127 2.655 1.00 0.00 O ATOM 1445 CB ARG A 92 7.395 14.770 -0.288 1.00 0.00 C ATOM 1446 CG ARG A 92 7.152 16.067 -1.042 1.00 0.00 C ATOM 1447 CD ARG A 92 5.728 16.148 -1.568 1.00 0.00 C ATOM 1448 NE ARG A 92 4.764 16.404 -0.501 1.00 0.00 N ATOM 1449 CZ ARG A 92 4.194 15.445 0.220 1.00 0.00 C ATOM 1450 NH1 ARG A 92 4.490 14.173 -0.010 1.00 0.00 N ATOM 1451 NH2 ARG A 92 3.326 15.757 1.174 1.00 0.00 N ATOM 0 H ARG A 92 9.361 14.075 -1.597 1.00 0.00 H new ATOM 0 HA ARG A 92 9.098 15.659 0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 92 7.248 13.931 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.650 14.674 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.346 16.914 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.853 16.142 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.662 16.940 -2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.473 15.215 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 92 4.515 17.372 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.157 13.929 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.051 13.439 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.096 16.734 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.889 15.020 1.727 1.00 0.00 H new ATOM 1465 N TYR A 93 8.429 12.466 1.268 1.00 0.00 N ATOM 1466 CA TYR A 93 8.363 11.462 2.324 1.00 0.00 C ATOM 1467 C TYR A 93 9.524 11.622 3.301 1.00 0.00 C ATOM 1468 O TYR A 93 9.319 11.778 4.505 1.00 0.00 O ATOM 1469 CB TYR A 93 8.380 10.056 1.721 1.00 0.00 C ATOM 1470 CG TYR A 93 8.235 8.955 2.748 1.00 0.00 C ATOM 1471 CD1 TYR A 93 7.054 8.795 3.461 1.00 0.00 C ATOM 1472 CD2 TYR A 93 9.279 8.075 3.003 1.00 0.00 C ATOM 1473 CE1 TYR A 93 6.917 7.791 4.400 1.00 0.00 C ATOM 1474 CE2 TYR A 93 9.151 7.067 3.940 1.00 0.00 C ATOM 1475 CZ TYR A 93 7.968 6.930 4.636 1.00 0.00 C ATOM 1476 OH TYR A 93 7.836 5.928 5.570 1.00 0.00 O ATOM 0 H TYR A 93 8.198 12.116 0.338 1.00 0.00 H new ATOM 0 HA TYR A 93 7.430 11.606 2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.572 9.972 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 93 9.314 9.914 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 93 6.229 9.467 3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 93 10.207 8.180 2.460 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.992 7.681 4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 93 9.972 6.391 4.126 1.00 0.00 H new ATOM 0 HH TYR A 93 8.667 5.410 5.614 1.00 0.00 H new ATOM 1486 N ILE A 94 10.743 11.584 2.773 1.00 0.00 N ATOM 1487 CA ILE A 94 11.936 11.726 3.598 1.00 0.00 C ATOM 1488 C ILE A 94 11.801 12.899 4.563 1.00 0.00 C ATOM 1489 O ILE A 94 11.870 12.725 5.779 1.00 0.00 O ATOM 1490 CB ILE A 94 13.195 11.929 2.734 1.00 0.00 C ATOM 1491 CG1 ILE A 94 13.411 10.724 1.817 1.00 0.00 C ATOM 1492 CG2 ILE A 94 14.413 12.153 3.619 1.00 0.00 C ATOM 1493 CD1 ILE A 94 14.144 11.062 0.538 1.00 0.00 C ATOM 0 H ILE A 94 10.930 11.456 1.778 1.00 0.00 H new ATOM 0 HA ILE A 94 12.039 10.802 4.166 1.00 0.00 H new ATOM 0 HB ILE A 94 13.053 12.813 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 94 13.973 9.962 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.443 10.289 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 94 15.295 12.295 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.258 13.039 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.560 11.286 4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 94 14.262 10.160 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 94 13.573 11.801 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 94 15.126 11.469 0.778 1.00 0.00 H new ATOM 1505 N GLN A 95 11.605 14.093 4.011 1.00 0.00 N ATOM 1506 CA GLN A 95 11.459 15.294 4.824 1.00 0.00 C ATOM 1507 C GLN A 95 10.335 15.130 5.842 1.00 0.00 C ATOM 1508 O GLN A 95 10.438 15.594 6.977 1.00 0.00 O ATOM 1509 CB GLN A 95 11.183 16.507 3.934 1.00 0.00 C ATOM 1510 CG GLN A 95 12.252 16.743 2.879 1.00 0.00 C ATOM 1511 CD GLN A 95 13.648 16.810 3.467 1.00 0.00 C ATOM 1512 OE1 GLN A 95 14.202 15.798 3.897 1.00 0.00 O ATOM 1513 NE2 GLN A 95 14.224 18.006 3.490 1.00 0.00 N ATOM 0 H GLN A 95 11.544 14.254 3.006 1.00 0.00 H new ATOM 0 HA GLN A 95 12.393 15.452 5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.220 16.374 3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.100 17.395 4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.211 15.942 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.039 17.673 2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.728 18.818 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 95 15.163 18.113 3.875 1.00 0.00 H new ATOM 1522 N PHE A 96 9.261 14.466 5.427 1.00 0.00 N ATOM 1523 CA PHE A 96 8.116 14.241 6.302 1.00 0.00 C ATOM 1524 C PHE A 96 8.572 13.871 7.710 1.00 0.00 C ATOM 1525 O PHE A 96 8.275 14.576 8.676 1.00 0.00 O ATOM 1526 CB PHE A 96 7.224 13.134 5.736 1.00 0.00 C ATOM 1527 CG PHE A 96 5.807 13.193 6.232 1.00 0.00 C ATOM 1528 CD1 PHE A 96 5.538 13.323 7.585 1.00 0.00 C ATOM 1529 CD2 PHE A 96 4.745 13.118 5.346 1.00 0.00 C ATOM 1530 CE1 PHE A 96 4.236 13.378 8.045 1.00 0.00 C ATOM 1531 CE2 PHE A 96 3.441 13.173 5.800 1.00 0.00 C ATOM 1532 CZ PHE A 96 3.186 13.302 7.151 1.00 0.00 C ATOM 0 H PHE A 96 9.160 14.074 4.491 1.00 0.00 H new ATOM 0 HA PHE A 96 7.544 15.167 6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.223 13.200 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.651 12.166 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.355 13.382 8.288 1.00 0.00 H new ATOM 0 HD2 PHE A 96 4.938 13.015 4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.040 13.480 9.102 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.622 13.115 5.099 1.00 0.00 H new ATOM 0 HZ PHE A 96 2.167 13.343 7.508 1.00 0.00 H new ATOM 1542 N TYR A 97 9.295 12.762 7.819 1.00 0.00 N ATOM 1543 CA TYR A 97 9.790 12.296 9.109 1.00 0.00 C ATOM 1544 C TYR A 97 11.310 12.399 9.178 1.00 0.00 C ATOM 1545 O TYR A 97 11.945 11.812 10.055 1.00 0.00 O ATOM 1546 CB TYR A 97 9.354 10.851 9.354 1.00 0.00 C ATOM 1547 CG TYR A 97 7.856 10.653 9.304 1.00 0.00 C ATOM 1548 CD1 TYR A 97 7.193 10.526 8.089 1.00 0.00 C ATOM 1549 CD2 TYR A 97 7.103 10.595 10.470 1.00 0.00 C ATOM 1550 CE1 TYR A 97 5.824 10.346 8.038 1.00 0.00 C ATOM 1551 CE2 TYR A 97 5.734 10.414 10.428 1.00 0.00 C ATOM 1552 CZ TYR A 97 5.099 10.290 9.210 1.00 0.00 C ATOM 1553 OH TYR A 97 3.736 10.111 9.164 1.00 0.00 O ATOM 0 H TYR A 97 9.551 12.169 7.030 1.00 0.00 H new ATOM 0 HA TYR A 97 9.365 12.933 9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 97 9.822 10.208 8.609 1.00 0.00 H new ATOM 0 HB3 TYR A 97 9.722 10.530 10.328 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.757 10.569 7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.596 10.693 11.426 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.324 10.250 7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.164 10.370 11.344 1.00 0.00 H new ATOM 0 HH TYR A 97 3.312 10.920 8.809 1.00 0.00 H new ATOM 1563 N LYS A 98 11.889 13.151 8.248 1.00 0.00 N ATOM 1564 CA LYS A 98 13.334 13.335 8.202 1.00 0.00 C ATOM 1565 C LYS A 98 14.052 11.991 8.134 1.00 0.00 C ATOM 1566 O LYS A 98 15.078 11.789 8.785 1.00 0.00 O ATOM 1567 CB LYS A 98 13.809 14.117 9.429 1.00 0.00 C ATOM 1568 CG LYS A 98 13.172 15.490 9.559 1.00 0.00 C ATOM 1569 CD LYS A 98 11.888 15.434 10.369 1.00 0.00 C ATOM 1570 CE LYS A 98 11.585 16.773 11.025 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.241 17.817 10.021 1.00 0.00 N ATOM 0 H LYS A 98 11.378 13.643 7.515 1.00 0.00 H new ATOM 0 HA LYS A 98 13.574 13.901 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 98 13.590 13.538 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.892 14.231 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.874 16.174 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.961 15.889 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.059 15.149 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.973 14.663 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.758 16.656 11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.449 17.097 11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.041 18.714 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.040 17.948 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.401 17.520 9.485 1.00 0.00 H new ATOM 1585 N LEU A 99 13.508 11.074 7.341 1.00 0.00 N ATOM 1586 CA LEU A 99 14.097 9.749 7.186 1.00 0.00 C ATOM 1587 C LEU A 99 15.542 9.848 6.707 1.00 0.00 C ATOM 1588 O LEU A 99 15.931 10.829 6.075 1.00 0.00 O ATOM 1589 CB LEU A 99 13.276 8.916 6.200 1.00 0.00 C ATOM 1590 CG LEU A 99 13.940 7.638 5.686 1.00 0.00 C ATOM 1591 CD1 LEU A 99 12.889 6.617 5.278 1.00 0.00 C ATOM 1592 CD2 LEU A 99 14.864 7.950 4.517 1.00 0.00 C ATOM 0 H LEU A 99 12.659 11.224 6.795 1.00 0.00 H new ATOM 0 HA LEU A 99 14.089 9.259 8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.335 8.645 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.029 9.543 5.343 1.00 0.00 H new ATOM 0 HG LEU A 99 14.537 7.212 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 99 13.380 5.714 4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.268 6.371 6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.265 7.033 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 99 15.328 7.029 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.288 8.399 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 99 15.638 8.645 4.841 1.00 0.00 H new ATOM 1604 N GLY A 100 16.333 8.823 7.011 1.00 0.00 N ATOM 1605 CA GLY A 100 17.725 8.813 6.602 1.00 0.00 C ATOM 1606 C GLY A 100 18.403 7.487 6.883 1.00 0.00 C ATOM 1607 O GLY A 100 19.567 7.449 7.280 1.00 0.00 O ATOM 0 H GLY A 100 16.034 7.999 7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 100 17.789 9.031 5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.259 9.608 7.123 1.00 0.00 H new ATOM 1611 N ASP A 101 17.672 6.396 6.679 1.00 0.00 N ATOM 1612 CA ASP A 101 18.210 5.061 6.914 1.00 0.00 C ATOM 1613 C ASP A 101 17.413 4.011 6.146 1.00 0.00 C ATOM 1614 O ASP A 101 16.257 4.236 5.785 1.00 0.00 O ATOM 1615 CB ASP A 101 18.195 4.738 8.409 1.00 0.00 C ATOM 1616 CG ASP A 101 19.343 5.390 9.154 1.00 0.00 C ATOM 1617 OD1 ASP A 101 20.499 4.961 8.956 1.00 0.00 O ATOM 1618 OD2 ASP A 101 19.086 6.331 9.934 1.00 0.00 O ATOM 0 H ASP A 101 16.706 6.410 6.352 1.00 0.00 H new ATOM 0 HA ASP A 101 19.240 5.043 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.251 5.070 8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.245 3.658 8.545 1.00 0.00 H new ATOM 1623 N PHE A 102 18.038 2.865 5.898 1.00 0.00 N ATOM 1624 CA PHE A 102 17.388 1.781 5.171 1.00 0.00 C ATOM 1625 C PHE A 102 17.895 0.424 5.650 1.00 0.00 C ATOM 1626 O PHE A 102 19.019 0.289 6.135 1.00 0.00 O ATOM 1627 CB PHE A 102 17.633 1.928 3.668 1.00 0.00 C ATOM 1628 CG PHE A 102 17.030 3.173 3.082 1.00 0.00 C ATOM 1629 CD1 PHE A 102 15.666 3.400 3.157 1.00 0.00 C ATOM 1630 CD2 PHE A 102 17.829 4.116 2.455 1.00 0.00 C ATOM 1631 CE1 PHE A 102 15.108 4.544 2.618 1.00 0.00 C ATOM 1632 CE2 PHE A 102 17.277 5.263 1.916 1.00 0.00 C ATOM 1633 CZ PHE A 102 15.915 5.476 1.996 1.00 0.00 C ATOM 0 H PHE A 102 18.994 2.663 6.190 1.00 0.00 H new ATOM 0 HA PHE A 102 16.317 1.838 5.365 1.00 0.00 H new ATOM 0 HB2 PHE A 102 18.707 1.931 3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 102 17.223 1.059 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 102 15.030 2.674 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 102 18.894 3.953 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.043 4.709 2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.911 5.992 1.433 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.482 6.370 1.573 1.00 0.00 H new ATOM 1643 N PRO A 103 17.048 -0.606 5.512 1.00 0.00 N ATOM 1644 CA PRO A 103 15.708 -0.457 4.936 1.00 0.00 C ATOM 1645 C PRO A 103 14.767 0.321 5.850 1.00 0.00 C ATOM 1646 O PRO A 103 14.925 0.312 7.071 1.00 0.00 O ATOM 1647 CB PRO A 103 15.227 -1.902 4.778 1.00 0.00 C ATOM 1648 CG PRO A 103 15.992 -2.670 5.800 1.00 0.00 C ATOM 1649 CD PRO A 103 17.332 -1.996 5.907 1.00 0.00 C ATOM 0 HA PRO A 103 15.726 0.105 4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.153 -1.982 4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 103 15.422 -2.277 3.773 1.00 0.00 H new ATOM 0 HG2 PRO A 103 15.475 -2.665 6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 103 16.102 -3.713 5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 103 17.730 -2.052 6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 103 18.068 -2.458 5.249 1.00 0.00 H new ATOM 1657 N TYR A 104 13.790 0.992 5.252 1.00 0.00 N ATOM 1658 CA TYR A 104 12.825 1.776 6.013 1.00 0.00 C ATOM 1659 C TYR A 104 11.406 1.539 5.503 1.00 0.00 C ATOM 1660 O TYR A 104 11.133 1.673 4.310 1.00 0.00 O ATOM 1661 CB TYR A 104 13.167 3.265 5.929 1.00 0.00 C ATOM 1662 CG TYR A 104 12.694 4.063 7.123 1.00 0.00 C ATOM 1663 CD1 TYR A 104 11.338 4.232 7.377 1.00 0.00 C ATOM 1664 CD2 TYR A 104 13.602 4.649 7.995 1.00 0.00 C ATOM 1665 CE1 TYR A 104 10.901 4.961 8.466 1.00 0.00 C ATOM 1666 CE2 TYR A 104 13.174 5.379 9.088 1.00 0.00 C ATOM 1667 CZ TYR A 104 11.822 5.532 9.318 1.00 0.00 C ATOM 1668 OH TYR A 104 11.392 6.259 10.405 1.00 0.00 O ATOM 0 H TYR A 104 13.645 1.009 4.242 1.00 0.00 H new ATOM 0 HA TYR A 104 12.875 1.456 7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 104 14.247 3.376 5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.722 3.681 5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.614 3.786 6.712 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.661 4.532 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.844 5.083 8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.893 5.827 9.758 1.00 0.00 H new ATOM 0 HH TYR A 104 12.167 6.592 10.903 1.00 0.00 H new ATOM 1678 N VAL A 105 10.507 1.187 6.416 1.00 0.00 N ATOM 1679 CA VAL A 105 9.116 0.933 6.061 1.00 0.00 C ATOM 1680 C VAL A 105 8.179 1.312 7.202 1.00 0.00 C ATOM 1681 O VAL A 105 8.354 0.867 8.336 1.00 0.00 O ATOM 1682 CB VAL A 105 8.891 -0.547 5.697 1.00 0.00 C ATOM 1683 CG1 VAL A 105 7.417 -0.814 5.433 1.00 0.00 C ATOM 1684 CG2 VAL A 105 9.736 -0.933 4.492 1.00 0.00 C ATOM 0 H VAL A 105 10.717 1.071 7.407 1.00 0.00 H new ATOM 0 HA VAL A 105 8.894 1.552 5.192 1.00 0.00 H new ATOM 0 HB VAL A 105 9.201 -1.162 6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.278 -1.864 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.839 -0.578 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.077 -0.191 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.565 -1.982 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.459 -0.313 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.790 -0.782 4.723 1.00 0.00 H new ATOM 1694 N SER A 106 7.184 2.137 6.894 1.00 0.00 N ATOM 1695 CA SER A 106 6.220 2.580 7.895 1.00 0.00 C ATOM 1696 C SER A 106 4.820 2.673 7.297 1.00 0.00 C ATOM 1697 O SER A 106 4.659 2.811 6.084 1.00 0.00 O ATOM 1698 CB SER A 106 6.634 3.937 8.467 1.00 0.00 C ATOM 1699 OG SER A 106 5.665 4.423 9.380 1.00 0.00 O ATOM 0 H SER A 106 7.024 2.512 5.959 1.00 0.00 H new ATOM 0 HA SER A 106 6.204 1.844 8.699 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.597 3.845 8.969 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.765 4.653 7.655 1.00 0.00 H new ATOM 0 HG SER A 106 5.493 3.745 10.066 1.00 0.00 H new ATOM 1705 N ILE A 107 3.810 2.596 8.157 1.00 0.00 N ATOM 1706 CA ILE A 107 2.423 2.672 7.714 1.00 0.00 C ATOM 1707 C ILE A 107 1.767 3.966 8.183 1.00 0.00 C ATOM 1708 O ILE A 107 1.766 4.278 9.375 1.00 0.00 O ATOM 1709 CB ILE A 107 1.601 1.476 8.231 1.00 0.00 C ATOM 1710 CG1 ILE A 107 2.180 0.164 7.700 1.00 0.00 C ATOM 1711 CG2 ILE A 107 0.142 1.621 7.823 1.00 0.00 C ATOM 1712 CD1 ILE A 107 1.787 -1.045 8.520 1.00 0.00 C ATOM 0 H ILE A 107 3.926 2.481 9.164 1.00 0.00 H new ATOM 0 HA ILE A 107 2.437 2.649 6.624 1.00 0.00 H new ATOM 0 HB ILE A 107 1.654 1.460 9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.848 0.019 6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.267 0.239 7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.426 0.769 8.195 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.264 2.540 8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.070 1.658 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.233 -1.940 8.086 1.00 0.00 H new ATOM 0 HD12 ILE A 107 2.143 -0.922 9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.702 -1.145 8.523 1.00 0.00 H new ATOM 1724 N LEU A 108 1.208 4.715 7.239 1.00 0.00 N ATOM 1725 CA LEU A 108 0.546 5.976 7.555 1.00 0.00 C ATOM 1726 C LEU A 108 -0.967 5.847 7.413 1.00 0.00 C ATOM 1727 O LEU A 108 -1.462 4.962 6.715 1.00 0.00 O ATOM 1728 CB LEU A 108 1.063 7.089 6.642 1.00 0.00 C ATOM 1729 CG LEU A 108 2.579 7.287 6.617 1.00 0.00 C ATOM 1730 CD1 LEU A 108 2.962 8.347 5.595 1.00 0.00 C ATOM 1731 CD2 LEU A 108 3.090 7.667 7.999 1.00 0.00 C ATOM 0 H LEU A 108 1.200 4.471 6.249 1.00 0.00 H new ATOM 0 HA LEU A 108 0.775 6.229 8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.727 6.883 5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.599 8.027 6.948 1.00 0.00 H new ATOM 0 HG LEU A 108 3.044 6.345 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 108 4.045 8.474 5.591 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.630 8.035 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.486 9.292 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.171 7.804 7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.617 8.596 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.849 6.874 8.707 1.00 0.00 H new ATOM 1743 N ASP A 109 -1.696 6.738 8.076 1.00 0.00 N ATOM 1744 CA ASP A 109 -3.154 6.726 8.021 1.00 0.00 C ATOM 1745 C ASP A 109 -3.667 7.739 7.003 1.00 0.00 C ATOM 1746 O ASP A 109 -3.299 8.914 7.019 1.00 0.00 O ATOM 1747 CB ASP A 109 -3.740 7.028 9.401 1.00 0.00 C ATOM 1748 CG ASP A 109 -5.189 6.601 9.520 1.00 0.00 C ATOM 1749 OD1 ASP A 109 -5.995 6.984 8.646 1.00 0.00 O ATOM 1750 OD2 ASP A 109 -5.519 5.883 10.488 1.00 0.00 O ATOM 0 H ASP A 109 -1.302 7.477 8.658 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.474 5.732 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.150 6.518 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.662 8.097 9.600 1.00 0.00 H new ATOM 1755 N PRO A 110 -4.538 7.276 6.094 1.00 0.00 N ATOM 1756 CA PRO A 110 -5.120 8.126 5.050 1.00 0.00 C ATOM 1757 C PRO A 110 -6.102 9.146 5.615 1.00 0.00 C ATOM 1758 O PRO A 110 -6.584 10.022 4.896 1.00 0.00 O ATOM 1759 CB PRO A 110 -5.847 7.128 4.145 1.00 0.00 C ATOM 1760 CG PRO A 110 -6.154 5.969 5.029 1.00 0.00 C ATOM 1761 CD PRO A 110 -5.021 5.887 6.014 1.00 0.00 C ATOM 0 HA PRO A 110 -4.362 8.716 4.535 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.757 7.561 3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.222 6.829 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.106 6.110 5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.236 5.048 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.358 5.522 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.239 5.209 5.672 1.00 0.00 H new ATOM 1769 N ARG A 111 -6.395 9.028 6.906 1.00 0.00 N ATOM 1770 CA ARG A 111 -7.320 9.940 7.567 1.00 0.00 C ATOM 1771 C ARG A 111 -6.567 11.068 8.264 1.00 0.00 C ATOM 1772 O ARG A 111 -6.857 12.247 8.055 1.00 0.00 O ATOM 1773 CB ARG A 111 -8.179 9.183 8.581 1.00 0.00 C ATOM 1774 CG ARG A 111 -9.127 8.178 7.947 1.00 0.00 C ATOM 1775 CD ARG A 111 -9.853 7.355 9.000 1.00 0.00 C ATOM 1776 NE ARG A 111 -10.694 6.321 8.404 1.00 0.00 N ATOM 1777 CZ ARG A 111 -12.000 6.458 8.209 1.00 0.00 C ATOM 1778 NH1 ARG A 111 -12.613 7.580 8.561 1.00 0.00 N ATOM 1779 NH2 ARG A 111 -12.697 5.471 7.660 1.00 0.00 N ATOM 0 H ARG A 111 -6.005 8.309 7.515 1.00 0.00 H new ATOM 0 HA ARG A 111 -7.967 10.375 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.526 8.662 9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.759 9.901 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.855 8.703 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -8.568 7.515 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -9.123 6.891 9.663 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -10.468 8.013 9.614 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.254 5.445 8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -12.081 8.341 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -13.617 7.682 8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -12.229 4.606 7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.700 5.577 7.511 1.00 0.00 H new ATOM 1793 N THR A 112 -5.596 10.700 9.095 1.00 0.00 N ATOM 1794 CA THR A 112 -4.802 11.680 9.825 1.00 0.00 C ATOM 1795 C THR A 112 -3.515 12.011 9.077 1.00 0.00 C ATOM 1796 O THR A 112 -3.143 13.177 8.949 1.00 0.00 O ATOM 1797 CB THR A 112 -4.447 11.177 11.237 1.00 0.00 C ATOM 1798 OG1 THR A 112 -3.626 10.007 11.148 1.00 0.00 O ATOM 1799 CG2 THR A 112 -5.706 10.860 12.030 1.00 0.00 C ATOM 0 H THR A 112 -5.341 9.730 9.279 1.00 0.00 H new ATOM 0 HA THR A 112 -5.411 12.580 9.911 1.00 0.00 H new ATOM 0 HB THR A 112 -3.900 11.966 11.753 1.00 0.00 H new ATOM 0 HG1 THR A 112 -3.403 9.694 12.050 1.00 0.00 H new ATOM 0 HG21 THR A 112 -5.431 10.507 13.024 1.00 0.00 H new ATOM 0 HG22 THR A 112 -6.315 11.759 12.121 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.275 10.087 11.515 1.00 0.00 H new ATOM 1807 N GLY A 113 -2.839 10.978 8.585 1.00 0.00 N ATOM 1808 CA GLY A 113 -1.601 11.181 7.855 1.00 0.00 C ATOM 1809 C GLY A 113 -0.386 11.167 8.761 1.00 0.00 C ATOM 1810 O GLY A 113 0.564 11.918 8.546 1.00 0.00 O ATOM 0 H GLY A 113 -3.126 10.004 8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.496 10.402 7.099 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.646 12.133 7.327 1.00 0.00 H new ATOM 1814 N GLN A 114 -0.417 10.311 9.777 1.00 0.00 N ATOM 1815 CA GLN A 114 0.690 10.204 10.720 1.00 0.00 C ATOM 1816 C GLN A 114 1.253 8.787 10.741 1.00 0.00 C ATOM 1817 O GLN A 114 0.709 7.882 10.109 1.00 0.00 O ATOM 1818 CB GLN A 114 0.233 10.605 12.124 1.00 0.00 C ATOM 1819 CG GLN A 114 -0.530 9.510 12.851 1.00 0.00 C ATOM 1820 CD GLN A 114 -1.388 10.047 13.980 1.00 0.00 C ATOM 1821 OE1 GLN A 114 -1.594 11.255 14.098 1.00 0.00 O ATOM 1822 NE2 GLN A 114 -1.893 9.149 14.818 1.00 0.00 N ATOM 0 H GLN A 114 -1.196 9.682 9.968 1.00 0.00 H new ATOM 0 HA GLN A 114 1.478 10.883 10.394 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.105 10.883 12.716 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -0.399 11.490 12.052 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -1.163 8.980 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 114 0.177 8.784 13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -1.696 8.157 14.682 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.478 9.451 15.597 1.00 0.00 H new ATOM 1831 N LYS A 115 2.347 8.601 11.473 1.00 0.00 N ATOM 1832 CA LYS A 115 2.984 7.294 11.578 1.00 0.00 C ATOM 1833 C LYS A 115 2.263 6.417 12.597 1.00 0.00 C ATOM 1834 O LYS A 115 2.137 6.783 13.766 1.00 0.00 O ATOM 1835 CB LYS A 115 4.454 7.451 11.974 1.00 0.00 C ATOM 1836 CG LYS A 115 5.233 6.147 11.950 1.00 0.00 C ATOM 1837 CD LYS A 115 5.154 5.426 13.285 1.00 0.00 C ATOM 1838 CE LYS A 115 6.108 6.032 14.304 1.00 0.00 C ATOM 1839 NZ LYS A 115 5.853 5.516 15.677 1.00 0.00 N ATOM 0 H LYS A 115 2.811 9.340 12.002 1.00 0.00 H new ATOM 0 HA LYS A 115 2.926 6.810 10.603 1.00 0.00 H new ATOM 0 HB2 LYS A 115 4.930 8.161 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.508 7.879 12.975 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.841 5.502 11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.276 6.349 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.134 5.475 13.666 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.392 4.372 13.145 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.136 5.809 14.017 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.004 7.117 14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.523 5.953 16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.881 5.751 15.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.977 4.483 15.688 1.00 0.00 H new ATOM 1853 N LEU A 116 1.794 5.259 12.147 1.00 0.00 N ATOM 1854 CA LEU A 116 1.086 4.329 13.020 1.00 0.00 C ATOM 1855 C LEU A 116 2.042 3.288 13.594 1.00 0.00 C ATOM 1856 O LEU A 116 1.998 2.981 14.786 1.00 0.00 O ATOM 1857 CB LEU A 116 -0.041 3.636 12.253 1.00 0.00 C ATOM 1858 CG LEU A 116 -1.021 4.555 11.524 1.00 0.00 C ATOM 1859 CD1 LEU A 116 -1.940 3.747 10.621 1.00 0.00 C ATOM 1860 CD2 LEU A 116 -1.831 5.370 12.521 1.00 0.00 C ATOM 0 H LEU A 116 1.891 4.941 11.183 1.00 0.00 H new ATOM 0 HA LEU A 116 0.658 4.897 13.846 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.405 2.961 11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.605 3.020 12.953 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.449 5.244 10.902 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.631 4.418 10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.344 3.209 9.883 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.505 3.034 11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.523 6.018 11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.393 4.698 13.169 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.158 5.979 13.125 1.00 0.00 H new ATOM 1872 N VAL A 117 2.906 2.750 12.740 1.00 0.00 N ATOM 1873 CA VAL A 117 3.874 1.745 13.162 1.00 0.00 C ATOM 1874 C VAL A 117 5.212 1.941 12.458 1.00 0.00 C ATOM 1875 O VAL A 117 5.261 2.380 11.309 1.00 0.00 O ATOM 1876 CB VAL A 117 3.363 0.320 12.882 1.00 0.00 C ATOM 1877 CG1 VAL A 117 1.977 0.123 13.477 1.00 0.00 C ATOM 1878 CG2 VAL A 117 3.356 0.041 11.387 1.00 0.00 C ATOM 0 H VAL A 117 2.956 2.994 11.751 1.00 0.00 H new ATOM 0 HA VAL A 117 4.010 1.869 14.236 1.00 0.00 H new ATOM 0 HB VAL A 117 4.040 -0.390 13.357 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.632 -0.890 13.269 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.018 0.278 14.555 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.286 0.840 13.034 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.992 -0.971 11.207 1.00 0.00 H new ATOM 0 HG22 VAL A 117 2.703 0.756 10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.368 0.138 10.994 1.00 0.00 H new ATOM 1888 N GLU A 118 6.295 1.613 13.155 1.00 0.00 N ATOM 1889 CA GLU A 118 7.634 1.753 12.595 1.00 0.00 C ATOM 1890 C GLU A 118 8.366 0.414 12.591 1.00 0.00 C ATOM 1891 O GLU A 118 8.543 -0.211 13.636 1.00 0.00 O ATOM 1892 CB GLU A 118 8.439 2.783 13.391 1.00 0.00 C ATOM 1893 CG GLU A 118 8.854 2.298 14.769 1.00 0.00 C ATOM 1894 CD GLU A 118 10.205 1.608 14.762 1.00 0.00 C ATOM 1895 OE1 GLU A 118 10.581 1.053 13.709 1.00 0.00 O ATOM 1896 OE2 GLU A 118 10.884 1.623 15.810 1.00 0.00 O ATOM 0 H GLU A 118 6.272 1.249 14.107 1.00 0.00 H new ATOM 0 HA GLU A 118 7.534 2.096 11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.331 3.050 12.825 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.846 3.691 13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.886 3.145 15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.100 1.609 15.150 1.00 0.00 H new ATOM 1903 N TRP A 119 8.787 -0.019 11.408 1.00 0.00 N ATOM 1904 CA TRP A 119 9.498 -1.285 11.267 1.00 0.00 C ATOM 1905 C TRP A 119 10.734 -1.120 10.389 1.00 0.00 C ATOM 1906 O TRP A 119 10.642 -0.656 9.252 1.00 0.00 O ATOM 1907 CB TRP A 119 8.574 -2.350 10.674 1.00 0.00 C ATOM 1908 CG TRP A 119 7.312 -2.545 11.458 1.00 0.00 C ATOM 1909 CD1 TRP A 119 7.179 -2.513 12.817 1.00 0.00 C ATOM 1910 CD2 TRP A 119 6.007 -2.805 10.931 1.00 0.00 C ATOM 1911 NE1 TRP A 119 5.869 -2.737 13.166 1.00 0.00 N ATOM 1912 CE2 TRP A 119 5.130 -2.918 12.027 1.00 0.00 C ATOM 1913 CE3 TRP A 119 5.493 -2.951 9.640 1.00 0.00 C ATOM 1914 CZ2 TRP A 119 3.770 -3.172 11.869 1.00 0.00 C ATOM 1915 CZ3 TRP A 119 4.144 -3.203 9.484 1.00 0.00 C ATOM 1916 CH2 TRP A 119 3.294 -3.311 10.593 1.00 0.00 C ATOM 0 H TRP A 119 8.649 0.487 10.533 1.00 0.00 H new ATOM 0 HA TRP A 119 9.819 -1.605 12.258 1.00 0.00 H new ATOM 0 HB2 TRP A 119 8.319 -2.071 9.652 1.00 0.00 H new ATOM 0 HB3 TRP A 119 9.110 -3.297 10.621 1.00 0.00 H new ATOM 0 HD1 TRP A 119 7.985 -2.338 13.514 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.506 -2.764 14.119 1.00 0.00 H new ATOM 0 HE3 TRP A 119 6.139 -2.868 8.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.114 -3.256 12.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.737 -3.319 8.490 1.00 0.00 H new ATOM 0 HH2 TRP A 119 2.243 -3.508 10.438 1.00 0.00 H new ATOM 1927 N HIS A 120 11.889 -1.502 10.923 1.00 0.00 N ATOM 1928 CA HIS A 120 13.144 -1.397 10.186 1.00 0.00 C ATOM 1929 C HIS A 120 13.429 -2.681 9.413 1.00 0.00 C ATOM 1930 O HIS A 120 13.699 -2.645 8.213 1.00 0.00 O ATOM 1931 CB HIS A 120 14.298 -1.097 11.143 1.00 0.00 C ATOM 1932 CG HIS A 120 15.416 -0.326 10.511 1.00 0.00 C ATOM 1933 ND1 HIS A 120 15.322 1.014 10.197 1.00 0.00 N ATOM 1934 CD2 HIS A 120 16.657 -0.713 10.136 1.00 0.00 C ATOM 1935 CE1 HIS A 120 16.457 1.416 9.654 1.00 0.00 C ATOM 1936 NE2 HIS A 120 17.284 0.388 9.606 1.00 0.00 N ATOM 0 H HIS A 120 11.983 -1.887 11.863 1.00 0.00 H new ATOM 0 HA HIS A 120 13.051 -0.578 9.473 1.00 0.00 H new ATOM 0 HB2 HIS A 120 13.916 -0.534 11.995 1.00 0.00 H new ATOM 0 HB3 HIS A 120 14.690 -2.037 11.532 1.00 0.00 H new ATOM 0 HD2 HIS A 120 17.076 -1.703 10.235 1.00 0.00 H new ATOM 0 HE1 HIS A 120 16.672 2.416 9.308 1.00 0.00 H new ATOM 0 HE2 HIS A 120 18.234 0.408 9.236 1.00 0.00 H new ATOM 1945 N GLN A 121 13.368 -3.811 10.109 1.00 0.00 N ATOM 1946 CA GLN A 121 13.621 -5.105 9.487 1.00 0.00 C ATOM 1947 C GLN A 121 12.314 -5.797 9.118 1.00 0.00 C ATOM 1948 O GLN A 121 11.447 -6.004 9.968 1.00 0.00 O ATOM 1949 CB GLN A 121 14.436 -5.996 10.427 1.00 0.00 C ATOM 1950 CG GLN A 121 14.741 -7.369 9.851 1.00 0.00 C ATOM 1951 CD GLN A 121 15.851 -8.082 10.598 1.00 0.00 C ATOM 1952 OE1 GLN A 121 16.297 -7.628 11.652 1.00 0.00 O ATOM 1953 NE2 GLN A 121 16.305 -9.205 10.054 1.00 0.00 N ATOM 0 H GLN A 121 13.146 -3.857 11.103 1.00 0.00 H new ATOM 0 HA GLN A 121 14.191 -4.935 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 121 15.374 -5.495 10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.891 -6.117 11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 121 13.838 -7.980 9.880 1.00 0.00 H new ATOM 0 HG3 GLN A 121 15.022 -7.265 8.803 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.906 -9.545 9.179 1.00 0.00 H new ATOM 0 HE22 GLN A 121 17.052 -9.727 10.511 1.00 0.00 H new ATOM 1962 N LEU A 122 12.177 -6.153 7.845 1.00 0.00 N ATOM 1963 CA LEU A 122 10.973 -6.822 7.363 1.00 0.00 C ATOM 1964 C LEU A 122 11.324 -8.120 6.642 1.00 0.00 C ATOM 1965 O LEU A 122 11.875 -8.101 5.541 1.00 0.00 O ATOM 1966 CB LEU A 122 10.194 -5.899 6.425 1.00 0.00 C ATOM 1967 CG LEU A 122 9.042 -5.117 7.058 1.00 0.00 C ATOM 1968 CD1 LEU A 122 9.490 -4.463 8.356 1.00 0.00 C ATOM 1969 CD2 LEU A 122 8.511 -4.071 6.088 1.00 0.00 C ATOM 0 H LEU A 122 12.884 -5.990 7.128 1.00 0.00 H new ATOM 0 HA LEU A 122 10.351 -7.063 8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 122 10.892 -5.187 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 122 9.794 -6.498 5.607 1.00 0.00 H new ATOM 0 HG LEU A 122 8.237 -5.815 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 122 8.657 -3.911 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 122 9.822 -5.231 9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 122 10.313 -3.777 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 122 7.692 -3.524 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 122 9.310 -3.376 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 122 8.150 -4.563 5.184 1.00 0.00 H new ATOM 1981 N ASP A 123 10.999 -9.245 7.269 1.00 0.00 N ATOM 1982 CA ASP A 123 11.276 -10.553 6.686 1.00 0.00 C ATOM 1983 C ASP A 123 9.980 -11.283 6.348 1.00 0.00 C ATOM 1984 O ASP A 123 8.946 -11.058 6.977 1.00 0.00 O ATOM 1985 CB ASP A 123 12.115 -11.396 7.647 1.00 0.00 C ATOM 1986 CG ASP A 123 13.018 -10.549 8.523 1.00 0.00 C ATOM 1987 OD1 ASP A 123 13.505 -9.507 8.039 1.00 0.00 O ATOM 1988 OD2 ASP A 123 13.237 -10.930 9.692 1.00 0.00 O ATOM 0 H ASP A 123 10.543 -9.278 8.181 1.00 0.00 H new ATOM 0 HA ASP A 123 11.837 -10.401 5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.453 -11.989 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.722 -12.097 7.075 1.00 0.00 H new ATOM 1993 N VAL A 124 10.043 -12.158 5.349 1.00 0.00 N ATOM 1994 CA VAL A 124 8.874 -12.921 4.927 1.00 0.00 C ATOM 1995 C VAL A 124 8.078 -13.416 6.129 1.00 0.00 C ATOM 1996 O VAL A 124 6.847 -13.400 6.119 1.00 0.00 O ATOM 1997 CB VAL A 124 9.277 -14.128 4.059 1.00 0.00 C ATOM 1998 CG1 VAL A 124 8.050 -14.943 3.676 1.00 0.00 C ATOM 1999 CG2 VAL A 124 10.028 -13.667 2.819 1.00 0.00 C ATOM 0 H VAL A 124 10.891 -12.356 4.817 1.00 0.00 H new ATOM 0 HA VAL A 124 8.252 -12.249 4.336 1.00 0.00 H new ATOM 0 HB VAL A 124 9.942 -14.766 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 124 8.354 -15.792 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.557 -15.305 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.359 -14.317 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 124 10.305 -14.533 2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 124 9.390 -13.007 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 124 10.928 -13.130 3.118 1.00 0.00 H new ATOM 2009 N SER A 125 8.788 -13.854 7.163 1.00 0.00 N ATOM 2010 CA SER A 125 8.147 -14.357 8.372 1.00 0.00 C ATOM 2011 C SER A 125 7.750 -13.208 9.295 1.00 0.00 C ATOM 2012 O SER A 125 6.572 -13.018 9.596 1.00 0.00 O ATOM 2013 CB SER A 125 9.083 -15.318 9.109 1.00 0.00 C ATOM 2014 OG SER A 125 8.363 -16.138 10.012 1.00 0.00 O ATOM 0 H SER A 125 9.808 -13.871 7.188 1.00 0.00 H new ATOM 0 HA SER A 125 7.244 -14.893 8.079 1.00 0.00 H new ATOM 0 HB2 SER A 125 9.610 -15.942 8.387 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.839 -14.750 9.652 1.00 0.00 H new ATOM 0 HG SER A 125 8.983 -16.744 10.469 1.00 0.00 H new ATOM 2020 N SER A 126 8.744 -12.445 9.740 1.00 0.00 N ATOM 2021 CA SER A 126 8.500 -11.317 10.631 1.00 0.00 C ATOM 2022 C SER A 126 7.458 -10.373 10.040 1.00 0.00 C ATOM 2023 O SER A 126 6.397 -10.155 10.625 1.00 0.00 O ATOM 2024 CB SER A 126 9.802 -10.558 10.895 1.00 0.00 C ATOM 2025 OG SER A 126 10.742 -11.376 11.570 1.00 0.00 O ATOM 0 H SER A 126 9.725 -12.588 9.498 1.00 0.00 H new ATOM 0 HA SER A 126 8.117 -11.707 11.574 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.225 -10.216 9.950 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.594 -9.670 11.491 1.00 0.00 H new ATOM 0 HG SER A 126 11.600 -11.348 11.097 1.00 0.00 H new ATOM 2031 N PHE A 127 7.769 -9.813 8.875 1.00 0.00 N ATOM 2032 CA PHE A 127 6.861 -8.891 8.204 1.00 0.00 C ATOM 2033 C PHE A 127 5.408 -9.301 8.423 1.00 0.00 C ATOM 2034 O PHE A 127 4.631 -8.571 9.039 1.00 0.00 O ATOM 2035 CB PHE A 127 7.168 -8.840 6.706 1.00 0.00 C ATOM 2036 CG PHE A 127 6.264 -7.917 5.940 1.00 0.00 C ATOM 2037 CD1 PHE A 127 4.922 -8.221 5.773 1.00 0.00 C ATOM 2038 CD2 PHE A 127 6.755 -6.746 5.386 1.00 0.00 C ATOM 2039 CE1 PHE A 127 4.088 -7.374 5.068 1.00 0.00 C ATOM 2040 CE2 PHE A 127 5.926 -5.894 4.680 1.00 0.00 C ATOM 2041 CZ PHE A 127 4.590 -6.209 4.522 1.00 0.00 C ATOM 0 H PHE A 127 8.643 -9.982 8.377 1.00 0.00 H new ATOM 0 HA PHE A 127 7.008 -7.900 8.633 1.00 0.00 H new ATOM 0 HB2 PHE A 127 8.201 -8.523 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.084 -9.845 6.292 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.524 -9.130 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 127 7.799 -6.495 5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 127 3.044 -7.623 4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.322 -4.984 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 127 3.939 -5.545 3.972 1.00 0.00 H new ATOM 2051 N LEU A 128 5.048 -10.474 7.914 1.00 0.00 N ATOM 2052 CA LEU A 128 3.688 -10.984 8.053 1.00 0.00 C ATOM 2053 C LEU A 128 3.283 -11.061 9.521 1.00 0.00 C ATOM 2054 O LEU A 128 2.320 -10.420 9.944 1.00 0.00 O ATOM 2055 CB LEU A 128 3.572 -12.365 7.407 1.00 0.00 C ATOM 2056 CG LEU A 128 3.715 -12.409 5.885 1.00 0.00 C ATOM 2057 CD1 LEU A 128 3.989 -13.829 5.415 1.00 0.00 C ATOM 2058 CD2 LEU A 128 2.465 -11.856 5.216 1.00 0.00 C ATOM 0 H LEU A 128 5.679 -11.090 7.401 1.00 0.00 H new ATOM 0 HA LEU A 128 3.014 -10.294 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 128 4.333 -13.013 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 128 2.603 -12.788 7.673 1.00 0.00 H new ATOM 0 HG LEU A 128 4.562 -11.785 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 128 4.088 -13.840 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 128 4.913 -14.190 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 128 3.163 -14.476 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 128 2.584 -11.895 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.601 -12.454 5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 128 2.313 -10.823 5.527 1.00 0.00 H new ATOM 2070 N ASP A 129 4.024 -11.847 10.294 1.00 0.00 N ATOM 2071 CA ASP A 129 3.744 -12.005 11.716 1.00 0.00 C ATOM 2072 C ASP A 129 3.299 -10.682 12.333 1.00 0.00 C ATOM 2073 O ASP A 129 2.319 -10.633 13.075 1.00 0.00 O ATOM 2074 CB ASP A 129 4.981 -12.531 12.446 1.00 0.00 C ATOM 2075 CG ASP A 129 4.631 -13.255 13.731 1.00 0.00 C ATOM 2076 OD1 ASP A 129 4.337 -14.467 13.667 1.00 0.00 O ATOM 2077 OD2 ASP A 129 4.653 -12.611 14.800 1.00 0.00 O ATOM 0 H ASP A 129 4.824 -12.385 9.959 1.00 0.00 H new ATOM 0 HA ASP A 129 2.934 -12.726 11.823 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.527 -13.207 11.788 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.648 -11.699 12.671 1.00 0.00 H new ATOM 2082 N GLN A 130 4.026 -9.615 12.019 1.00 0.00 N ATOM 2083 CA GLN A 130 3.706 -8.293 12.545 1.00 0.00 C ATOM 2084 C GLN A 130 2.460 -7.726 11.870 1.00 0.00 C ATOM 2085 O GLN A 130 1.454 -7.459 12.527 1.00 0.00 O ATOM 2086 CB GLN A 130 4.886 -7.341 12.344 1.00 0.00 C ATOM 2087 CG GLN A 130 6.089 -7.673 13.212 1.00 0.00 C ATOM 2088 CD GLN A 130 7.384 -7.116 12.653 1.00 0.00 C ATOM 2089 OE1 GLN A 130 8.215 -7.991 12.098 1.00 0.00 O flip ATOM 2090 NE2 GLN A 130 7.635 -5.912 12.718 1.00 0.00 N flip ATOM 0 H GLN A 130 4.839 -9.640 11.404 1.00 0.00 H new ATOM 0 HA GLN A 130 3.507 -8.393 13.612 1.00 0.00 H new ATOM 0 HB2 GLN A 130 5.187 -7.364 11.297 1.00 0.00 H new ATOM 0 HB3 GLN A 130 4.562 -6.323 12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 130 5.930 -7.275 14.214 1.00 0.00 H new ATOM 0 HG3 GLN A 130 6.175 -8.755 13.308 1.00 0.00 H new ATOM 0 HE21 GLN A 130 6.968 -5.275 13.153 1.00 0.00 H new ATOM 0 HE22 GLN A 130 8.510 -5.552 12.337 1.00 0.00 H new ATOM 2099 N VAL A 131 2.536 -7.544 10.556 1.00 0.00 N ATOM 2100 CA VAL A 131 1.414 -7.010 9.792 1.00 0.00 C ATOM 2101 C VAL A 131 0.149 -7.826 10.031 1.00 0.00 C ATOM 2102 O VAL A 131 -0.837 -7.320 10.569 1.00 0.00 O ATOM 2103 CB VAL A 131 1.722 -6.990 8.283 1.00 0.00 C ATOM 2104 CG1 VAL A 131 0.517 -6.492 7.499 1.00 0.00 C ATOM 2105 CG2 VAL A 131 2.945 -6.130 8.000 1.00 0.00 C ATOM 0 H VAL A 131 3.362 -7.758 9.998 1.00 0.00 H new ATOM 0 HA VAL A 131 1.254 -5.988 10.136 1.00 0.00 H new ATOM 0 HB VAL A 131 1.940 -8.008 7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.753 -6.485 6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.332 -7.152 7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.265 -5.482 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.148 -6.127 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.758 -5.110 8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.806 -6.536 8.531 1.00 0.00 H new ATOM 2115 N THR A 132 0.182 -9.092 9.627 1.00 0.00 N ATOM 2116 CA THR A 132 -0.962 -9.978 9.797 1.00 0.00 C ATOM 2117 C THR A 132 -1.713 -9.667 11.086 1.00 0.00 C ATOM 2118 O THR A 132 -2.914 -9.403 11.068 1.00 0.00 O ATOM 2119 CB THR A 132 -0.530 -11.457 9.812 1.00 0.00 C ATOM 2120 OG1 THR A 132 0.522 -11.669 8.864 1.00 0.00 O ATOM 2121 CG2 THR A 132 -1.704 -12.367 9.485 1.00 0.00 C ATOM 0 H THR A 132 0.989 -9.527 9.180 1.00 0.00 H new ATOM 0 HA THR A 132 -1.622 -9.808 8.946 1.00 0.00 H new ATOM 0 HB THR A 132 -0.172 -11.698 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 132 0.792 -12.611 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 132 -1.375 -13.406 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 132 -2.492 -12.224 10.224 1.00 0.00 H new ATOM 0 HG23 THR A 132 -2.088 -12.124 8.494 1.00 0.00 H new ATOM 2129 N GLY A 133 -0.996 -9.699 12.206 1.00 0.00 N ATOM 2130 CA GLY A 133 -1.612 -9.418 13.489 1.00 0.00 C ATOM 2131 C GLY A 133 -2.139 -7.999 13.581 1.00 0.00 C ATOM 2132 O GLY A 133 -3.299 -7.782 13.929 1.00 0.00 O ATOM 0 H GLY A 133 0.000 -9.915 12.247 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.431 -10.118 13.657 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -0.883 -9.584 14.283 1.00 0.00 H new ATOM 2136 N PHE A 134 -1.284 -7.031 13.269 1.00 0.00 N ATOM 2137 CA PHE A 134 -1.669 -5.625 13.321 1.00 0.00 C ATOM 2138 C PHE A 134 -3.117 -5.441 12.876 1.00 0.00 C ATOM 2139 O PHE A 134 -3.907 -4.783 13.554 1.00 0.00 O ATOM 2140 CB PHE A 134 -0.742 -4.788 12.437 1.00 0.00 C ATOM 2141 CG PHE A 134 -1.143 -3.343 12.347 1.00 0.00 C ATOM 2142 CD1 PHE A 134 -2.075 -2.926 11.411 1.00 0.00 C ATOM 2143 CD2 PHE A 134 -0.588 -2.403 13.200 1.00 0.00 C ATOM 2144 CE1 PHE A 134 -2.445 -1.597 11.326 1.00 0.00 C ATOM 2145 CE2 PHE A 134 -0.954 -1.072 13.119 1.00 0.00 C ATOM 2146 CZ PHE A 134 -1.885 -0.669 12.182 1.00 0.00 C ATOM 0 H PHE A 134 -0.320 -7.194 12.978 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.579 -5.287 14.353 1.00 0.00 H new ATOM 0 HB2 PHE A 134 0.274 -4.851 12.827 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -0.726 -5.215 11.434 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -2.518 -3.647 10.740 1.00 0.00 H new ATOM 0 HD2 PHE A 134 0.139 -2.713 13.936 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -3.172 -1.284 10.591 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -0.512 -0.348 13.788 1.00 0.00 H new ATOM 0 HZ PHE A 134 -2.175 0.370 12.119 1.00 0.00 H new ATOM 2156 N LEU A 135 -3.458 -6.027 11.734 1.00 0.00 N ATOM 2157 CA LEU A 135 -4.810 -5.928 11.197 1.00 0.00 C ATOM 2158 C LEU A 135 -5.818 -6.582 12.137 1.00 0.00 C ATOM 2159 O LEU A 135 -6.891 -6.035 12.390 1.00 0.00 O ATOM 2160 CB LEU A 135 -4.882 -6.586 9.818 1.00 0.00 C ATOM 2161 CG LEU A 135 -3.909 -6.050 8.767 1.00 0.00 C ATOM 2162 CD1 LEU A 135 -3.842 -6.989 7.573 1.00 0.00 C ATOM 2163 CD2 LEU A 135 -4.317 -4.652 8.326 1.00 0.00 C ATOM 0 H LEU A 135 -2.816 -6.576 11.162 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.060 -4.871 11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -4.704 -7.655 9.938 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -5.897 -6.473 9.436 1.00 0.00 H new ATOM 0 HG LEU A 135 -2.917 -5.993 9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.145 -6.591 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -3.502 -7.971 7.901 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -4.832 -7.079 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -3.613 -4.287 7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.319 -4.684 7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -4.312 -3.983 9.187 1.00 0.00 H new ATOM 2175 N GLY A 136 -5.464 -7.754 12.654 1.00 0.00 N ATOM 2176 CA GLY A 136 -6.348 -8.462 13.563 1.00 0.00 C ATOM 2177 C GLY A 136 -6.747 -7.618 14.757 1.00 0.00 C ATOM 2178 O GLY A 136 -7.898 -7.650 15.190 1.00 0.00 O ATOM 0 H GLY A 136 -4.581 -8.226 12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.244 -8.773 13.026 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -5.855 -9.369 13.912 1.00 0.00 H new ATOM 2182 N GLU A 137 -5.792 -6.863 15.292 1.00 0.00 N ATOM 2183 CA GLU A 137 -6.051 -6.010 16.446 1.00 0.00 C ATOM 2184 C GLU A 137 -6.761 -4.727 16.025 1.00 0.00 C ATOM 2185 O GLU A 137 -7.877 -4.449 16.465 1.00 0.00 O ATOM 2186 CB GLU A 137 -4.742 -5.671 17.161 1.00 0.00 C ATOM 2187 CG GLU A 137 -4.940 -5.096 18.554 1.00 0.00 C ATOM 2188 CD GLU A 137 -5.072 -3.585 18.548 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -4.134 -2.909 18.076 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -6.113 -3.080 19.016 1.00 0.00 O ATOM 0 H GLU A 137 -4.834 -6.825 14.945 1.00 0.00 H new ATOM 0 HA GLU A 137 -6.700 -6.556 17.131 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.133 -6.572 17.232 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.183 -4.955 16.558 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -5.833 -5.533 19.000 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -4.097 -5.381 19.184 1.00 0.00 H new ATOM 2197 N HIS A 138 -6.105 -3.947 15.171 1.00 0.00 N ATOM 2198 CA HIS A 138 -6.673 -2.693 14.691 1.00 0.00 C ATOM 2199 C HIS A 138 -7.872 -2.951 13.783 1.00 0.00 C ATOM 2200 O HIS A 138 -8.975 -2.472 14.043 1.00 0.00 O ATOM 2201 CB HIS A 138 -5.615 -1.884 13.939 1.00 0.00 C ATOM 2202 CG HIS A 138 -4.603 -1.241 14.837 1.00 0.00 C ATOM 2203 ND1 HIS A 138 -3.591 -1.778 15.558 1.00 0.00 N flip ATOM 2204 CD2 HIS A 138 -4.563 0.116 15.075 1.00 0.00 C flip ATOM 2205 CE1 HIS A 138 -2.964 -0.746 16.211 1.00 0.00 C flip ATOM 2206 NE2 HIS A 138 -3.569 0.387 15.902 1.00 0.00 N flip ATOM 0 H HIS A 138 -5.180 -4.162 14.798 1.00 0.00 H new ATOM 0 HA HIS A 138 -7.011 -2.122 15.556 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -5.101 -2.539 13.236 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -6.110 -1.111 13.351 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -5.239 0.844 14.651 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -2.114 -0.844 16.870 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -3.312 1.313 16.244 1.00 0.00 H new ATOM 2215 N GLY A 139 -7.647 -3.712 12.716 1.00 0.00 N ATOM 2216 CA GLY A 139 -8.718 -4.020 11.786 1.00 0.00 C ATOM 2217 C GLY A 139 -8.528 -3.348 10.441 1.00 0.00 C ATOM 2218 O GLY A 139 -7.480 -3.490 9.812 1.00 0.00 O ATOM 0 H GLY A 139 -6.743 -4.120 12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -8.773 -5.099 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -9.669 -3.705 12.215 1.00 0.00 H new ATOM 2222 N GLN A 140 -9.545 -2.616 9.998 1.00 0.00 N ATOM 2223 CA GLN A 140 -9.486 -1.922 8.717 1.00 0.00 C ATOM 2224 C GLN A 140 -9.017 -0.483 8.899 1.00 0.00 C ATOM 2225 O GLN A 140 -7.919 -0.118 8.476 1.00 0.00 O ATOM 2226 CB GLN A 140 -10.857 -1.942 8.038 1.00 0.00 C ATOM 2227 CG GLN A 140 -11.215 -3.289 7.431 1.00 0.00 C ATOM 2228 CD GLN A 140 -10.273 -3.694 6.314 1.00 0.00 C ATOM 2229 OE1 GLN A 140 -9.394 -4.536 6.503 1.00 0.00 O ATOM 2230 NE2 GLN A 140 -10.452 -3.097 5.142 1.00 0.00 N ATOM 0 H GLN A 140 -10.420 -2.488 10.507 1.00 0.00 H new ATOM 0 HA GLN A 140 -8.767 -2.442 8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -11.619 -1.668 8.768 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -10.877 -1.183 7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -11.197 -4.051 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -12.234 -3.251 7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -11.193 -2.405 5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -9.849 -3.330 4.353 1.00 0.00 H new ATOM 2239 N LEU A 141 -9.854 0.332 9.531 1.00 0.00 N ATOM 2240 CA LEU A 141 -9.525 1.733 9.769 1.00 0.00 C ATOM 2241 C LEU A 141 -10.340 2.294 10.930 1.00 0.00 C ATOM 2242 O LEU A 141 -11.367 1.731 11.311 1.00 0.00 O ATOM 2243 CB LEU A 141 -9.780 2.559 8.507 1.00 0.00 C ATOM 2244 CG LEU A 141 -8.577 2.763 7.585 1.00 0.00 C ATOM 2245 CD1 LEU A 141 -9.028 2.866 6.136 1.00 0.00 C ATOM 2246 CD2 LEU A 141 -7.797 4.004 7.992 1.00 0.00 C ATOM 0 H LEU A 141 -10.766 0.047 9.888 1.00 0.00 H new ATOM 0 HA LEU A 141 -8.468 1.793 10.028 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -10.573 2.077 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -10.153 3.538 8.807 1.00 0.00 H new ATOM 0 HG LEU A 141 -7.920 1.899 7.680 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -8.159 3.011 5.494 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -9.542 1.949 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -9.706 3.712 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -6.945 4.133 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -8.445 4.878 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -7.442 3.891 9.016 1.00 0.00 H new