USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 103 ASN : amide:sc= -0.253 X(o=-1.4,f=-0.95) USER MOD Set 1.2: A 105 ASN : amide:sc= -1.12 K(o=-1.4,f=-8.9!) USER MOD Set 2.1: A 94 HIS : no HD1:sc= -0.769 X(o=-0.57,f=-0.93) USER MOD Set 2.2: A 113 THR OG1 : rot -45:sc= 0.202 USER MOD Set 3.1: A 44 THR OG1 : rot -70:sc= 0.349 USER MOD Set 3.2: A 91 GLN :FLIP amide:sc= 0.313 F(o=-0.64,f=0.66) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= 1.27 (180deg=0.329) USER MOD Single : A 40 ASN : amide:sc= 0.446 K(o=0.45,f=-4.5!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 0.708 (180deg=0.473) USER MOD Single : A 50 ASN : amide:sc=-0.00778 X(o=-0.0078,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.61 K(o=1.6,f=-2.2) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -160:sc=-0.00304 USER MOD Single : A 66 SER OG : rot -120:sc= 0.0156 USER MOD Single : A 70 ASN : amide:sc= -0.046 X(o=-0.046,f=-0.11) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 89 CYS SG : rot -160:sc= -0.181 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc=-0.00861 X(o=-0.0086,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.566 USER MOD Single : A 114 CYS SG : rot 19:sc= -0.731 USER MOD Single : A 115 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= 0.707 K(o=0.71,f=-2.6!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.906 9.010 -3.323 1.00 0.00 N ATOM 505 CA TRP A 37 7.662 8.449 -3.786 1.00 0.00 C ATOM 506 C TRP A 37 7.955 7.255 -4.648 1.00 0.00 C ATOM 507 O TRP A 37 8.714 7.347 -5.610 1.00 0.00 O ATOM 508 CB TRP A 37 6.860 9.454 -4.609 1.00 0.00 C ATOM 509 CG TRP A 37 6.346 10.640 -3.856 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.810 11.918 -3.926 1.00 0.00 C ATOM 511 CD2 TRP A 37 5.256 10.655 -2.931 1.00 0.00 C ATOM 512 NE1 TRP A 37 6.066 12.730 -3.112 1.00 0.00 N ATOM 513 CE2 TRP A 37 5.108 11.977 -2.485 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.390 9.674 -2.438 1.00 0.00 C ATOM 515 CZ2 TRP A 37 4.127 12.347 -1.571 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.422 10.042 -1.530 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.298 11.367 -1.105 1.00 0.00 C ATOM 0 HA TRP A 37 7.074 8.170 -2.912 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.486 9.809 -5.427 1.00 0.00 H new ATOM 0 HB3 TRP A 37 6.013 8.936 -5.058 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.642 12.243 -4.533 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.203 13.734 -2.992 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.478 8.648 -2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.025 13.371 -1.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.748 9.294 -1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.529 11.622 -0.391 1.00 0.00 H new ATOM 528 N LYS A 38 7.387 6.159 -4.307 1.00 0.00 N ATOM 529 CA LYS A 38 7.579 4.960 -5.050 1.00 0.00 C ATOM 530 C LYS A 38 6.253 4.243 -5.115 1.00 0.00 C ATOM 531 O LYS A 38 5.447 4.354 -4.180 1.00 0.00 O ATOM 532 CB LYS A 38 8.647 4.117 -4.353 1.00 0.00 C ATOM 533 CG LYS A 38 9.128 2.903 -5.133 1.00 0.00 C ATOM 534 CD LYS A 38 10.257 2.181 -4.395 1.00 0.00 C ATOM 535 CE LYS A 38 11.466 3.095 -4.185 1.00 0.00 C ATOM 536 NZ LYS A 38 12.556 2.418 -3.463 1.00 0.00 N ATOM 0 H LYS A 38 6.771 6.062 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 38 7.921 5.160 -6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.505 4.753 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.252 3.780 -3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.296 2.216 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.475 3.215 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.894 1.828 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.559 1.301 -4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.832 3.439 -5.153 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.158 3.980 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.354 3.075 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.216 2.112 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.869 1.588 -4.006 1.00 0.00 H new ATOM 550 N LYS A 39 5.984 3.574 -6.214 1.00 0.00 N ATOM 551 CA LYS A 39 4.745 2.861 -6.356 1.00 0.00 C ATOM 552 C LYS A 39 4.868 1.485 -5.728 1.00 0.00 C ATOM 553 O LYS A 39 5.583 0.614 -6.232 1.00 0.00 O ATOM 554 CB LYS A 39 4.318 2.766 -7.827 1.00 0.00 C ATOM 555 CG LYS A 39 3.021 1.989 -8.047 1.00 0.00 C ATOM 556 CD LYS A 39 2.654 1.887 -9.528 1.00 0.00 C ATOM 557 CE LYS A 39 2.226 3.228 -10.117 1.00 0.00 C ATOM 558 NZ LYS A 39 0.940 3.703 -9.549 1.00 0.00 N ATOM 0 H LYS A 39 6.608 3.512 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 39 3.965 3.415 -5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.199 3.773 -8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.116 2.290 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.124 0.987 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.210 2.477 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.509 1.505 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.846 1.166 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.001 3.970 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.131 3.134 -11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.195 3.633 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.684 3.116 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.038 4.694 -9.248 1.00 0.00 H new ATOM 572 N ASN A 40 4.196 1.320 -4.626 1.00 0.00 N ATOM 573 CA ASN A 40 4.190 0.085 -3.866 1.00 0.00 C ATOM 574 C ASN A 40 3.247 -0.914 -4.558 1.00 0.00 C ATOM 575 O ASN A 40 2.477 -0.516 -5.432 1.00 0.00 O ATOM 576 CB ASN A 40 3.778 0.414 -2.394 1.00 0.00 C ATOM 577 CG ASN A 40 3.764 -0.767 -1.424 1.00 0.00 C ATOM 578 OD1 ASN A 40 4.379 -1.796 -1.666 1.00 0.00 O ATOM 579 ND2 ASN A 40 3.146 -0.583 -0.280 1.00 0.00 N ATOM 0 H ASN A 40 3.620 2.053 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 40 5.175 -0.381 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.462 1.169 -2.006 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.784 0.860 -2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.171 -1.309 0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.641 0.286 -0.107 1.00 0.00 H new ATOM 586 N GLN A 41 3.285 -2.174 -4.149 1.00 0.00 N ATOM 587 CA GLN A 41 2.531 -3.286 -4.783 1.00 0.00 C ATOM 588 C GLN A 41 1.002 -3.071 -4.812 1.00 0.00 C ATOM 589 O GLN A 41 0.281 -3.790 -5.486 1.00 0.00 O ATOM 590 CB GLN A 41 2.849 -4.609 -4.083 1.00 0.00 C ATOM 591 CG GLN A 41 2.483 -4.624 -2.606 1.00 0.00 C ATOM 592 CD GLN A 41 2.716 -5.964 -1.952 1.00 0.00 C ATOM 593 OE1 GLN A 41 2.612 -7.021 -2.593 1.00 0.00 O ATOM 594 NE2 GLN A 41 3.046 -5.944 -0.700 1.00 0.00 N ATOM 0 H GLN A 41 3.847 -2.475 -3.353 1.00 0.00 H new ATOM 0 HA GLN A 41 2.861 -3.314 -5.822 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.316 -5.414 -4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.914 -4.818 -4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.068 -3.866 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.434 -4.350 -2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.121 -5.054 -0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.231 -6.818 -0.207 1.00 0.00 H new ATOM 603 N TYR A 42 0.525 -2.097 -4.085 1.00 0.00 N ATOM 604 CA TYR A 42 -0.893 -1.798 -4.052 1.00 0.00 C ATOM 605 C TYR A 42 -1.228 -0.752 -5.114 1.00 0.00 C ATOM 606 O TYR A 42 -2.356 -0.288 -5.213 1.00 0.00 O ATOM 607 CB TYR A 42 -1.296 -1.287 -2.661 1.00 0.00 C ATOM 608 CG TYR A 42 -1.010 -2.265 -1.540 1.00 0.00 C ATOM 609 CD1 TYR A 42 -1.849 -3.346 -1.299 1.00 0.00 C ATOM 610 CD2 TYR A 42 0.104 -2.110 -0.731 1.00 0.00 C ATOM 611 CE1 TYR A 42 -1.581 -4.243 -0.282 1.00 0.00 C ATOM 612 CE2 TYR A 42 0.379 -3.002 0.282 1.00 0.00 C ATOM 613 CZ TYR A 42 -0.464 -4.065 0.505 1.00 0.00 C ATOM 614 OH TYR A 42 -0.185 -4.955 1.520 1.00 0.00 O ATOM 0 H TYR A 42 1.098 -1.489 -3.501 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.451 -2.710 -4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.768 -0.355 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.361 -1.055 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.724 -3.488 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.769 -1.275 -0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.243 -5.078 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.255 -2.867 0.900 1.00 0.00 H new ATOM 0 HH TYR A 42 0.639 -4.683 1.976 1.00 0.00 H new ATOM 624 N GLY A 43 -0.217 -0.353 -5.880 1.00 0.00 N ATOM 625 CA GLY A 43 -0.380 0.660 -6.911 1.00 0.00 C ATOM 626 C GLY A 43 -0.245 2.053 -6.331 1.00 0.00 C ATOM 627 O GLY A 43 -0.063 3.039 -7.050 1.00 0.00 O ATOM 0 H GLY A 43 0.731 -0.721 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.367 0.513 -7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.357 0.551 -7.381 1.00 0.00 H new ATOM 631 N THR A 44 -0.271 2.099 -5.032 1.00 0.00 N ATOM 632 CA THR A 44 -0.237 3.297 -4.264 1.00 0.00 C ATOM 633 C THR A 44 1.175 3.868 -4.224 1.00 0.00 C ATOM 634 O THR A 44 2.156 3.117 -4.136 1.00 0.00 O ATOM 635 CB THR A 44 -0.674 2.949 -2.839 1.00 0.00 C ATOM 636 OG1 THR A 44 -1.872 2.164 -2.922 1.00 0.00 O ATOM 637 CG2 THR A 44 -0.952 4.201 -2.031 1.00 0.00 C ATOM 0 H THR A 44 -0.319 1.258 -4.456 1.00 0.00 H new ATOM 0 HA THR A 44 -0.898 4.040 -4.711 1.00 0.00 H new ATOM 0 HB THR A 44 0.124 2.398 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.612 2.728 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.260 3.923 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.049 4.809 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.747 4.773 -2.509 1.00 0.00 H new ATOM 645 N TRP A 45 1.271 5.163 -4.309 1.00 0.00 N ATOM 646 CA TRP A 45 2.535 5.839 -4.192 1.00 0.00 C ATOM 647 C TRP A 45 2.734 6.175 -2.745 1.00 0.00 C ATOM 648 O TRP A 45 1.818 6.681 -2.114 1.00 0.00 O ATOM 649 CB TRP A 45 2.531 7.125 -4.998 1.00 0.00 C ATOM 650 CG TRP A 45 2.386 6.939 -6.470 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.227 6.918 -7.192 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.449 6.780 -7.405 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.510 6.757 -8.523 1.00 0.00 N ATOM 654 CE2 TRP A 45 2.872 6.664 -8.679 1.00 0.00 C ATOM 655 CE3 TRP A 45 4.838 6.722 -7.281 1.00 0.00 C ATOM 656 CZ2 TRP A 45 3.642 6.496 -9.825 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.597 6.556 -8.414 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.001 6.444 -9.669 1.00 0.00 C ATOM 0 H TRP A 45 0.476 5.783 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 45 3.333 5.198 -4.568 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.717 7.757 -4.644 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.459 7.662 -4.803 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.235 7.014 -6.776 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.822 6.713 -9.275 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.308 6.806 -6.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.186 6.410 -10.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.673 6.512 -8.331 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.627 6.313 -10.540 1.00 0.00 H new ATOM 669 N TYR A 46 3.873 5.888 -2.207 1.00 0.00 N ATOM 670 CA TYR A 46 4.107 6.182 -0.821 1.00 0.00 C ATOM 671 C TYR A 46 5.480 6.774 -0.652 1.00 0.00 C ATOM 672 O TYR A 46 6.328 6.632 -1.541 1.00 0.00 O ATOM 673 CB TYR A 46 3.994 4.902 0.037 1.00 0.00 C ATOM 674 CG TYR A 46 5.205 3.977 -0.030 1.00 0.00 C ATOM 675 CD1 TYR A 46 5.480 3.218 -1.156 1.00 0.00 C ATOM 676 CD2 TYR A 46 6.071 3.879 1.048 1.00 0.00 C ATOM 677 CE1 TYR A 46 6.584 2.392 -1.202 1.00 0.00 C ATOM 678 CE2 TYR A 46 7.169 3.060 1.011 1.00 0.00 C ATOM 679 CZ TYR A 46 7.424 2.320 -0.113 1.00 0.00 C ATOM 680 OH TYR A 46 8.521 1.500 -0.148 1.00 0.00 O ATOM 0 H TYR A 46 4.655 5.453 -2.697 1.00 0.00 H new ATOM 0 HA TYR A 46 3.353 6.895 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.832 5.191 1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.112 4.346 -0.280 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.821 3.274 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.876 4.461 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.788 1.806 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.830 2.998 1.863 1.00 0.00 H new ATOM 0 HH TYR A 46 9.007 1.568 0.700 1.00 0.00 H new ATOM 690 N LYS A 47 5.678 7.466 0.449 1.00 0.00 N ATOM 691 CA LYS A 47 6.978 7.919 0.840 1.00 0.00 C ATOM 692 C LYS A 47 6.978 8.105 2.350 1.00 0.00 C ATOM 693 O LYS A 47 5.948 8.509 2.920 1.00 0.00 O ATOM 694 CB LYS A 47 7.416 9.232 0.132 1.00 0.00 C ATOM 695 CG LYS A 47 6.927 10.546 0.740 1.00 0.00 C ATOM 696 CD LYS A 47 7.579 11.726 0.025 1.00 0.00 C ATOM 697 CE LYS A 47 7.408 13.031 0.783 1.00 0.00 C ATOM 698 NZ LYS A 47 6.000 13.429 0.963 1.00 0.00 N ATOM 0 H LYS A 47 4.933 7.727 1.095 1.00 0.00 H new ATOM 0 HA LYS A 47 7.704 7.166 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.505 9.256 0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.074 9.189 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.842 10.614 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.167 10.576 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.642 11.524 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.146 11.828 -0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.878 12.937 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.935 13.823 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.959 14.381 1.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.520 13.434 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.526 12.753 1.596 1.00 0.00 H new ATOM 712 N PRO A 48 8.070 7.756 3.035 1.00 0.00 N ATOM 713 CA PRO A 48 8.187 7.991 4.469 1.00 0.00 C ATOM 714 C PRO A 48 8.352 9.485 4.758 1.00 0.00 C ATOM 715 O PRO A 48 9.277 10.142 4.241 1.00 0.00 O ATOM 716 CB PRO A 48 9.456 7.219 4.873 1.00 0.00 C ATOM 717 CG PRO A 48 9.767 6.345 3.706 1.00 0.00 C ATOM 718 CD PRO A 48 9.261 7.076 2.504 1.00 0.00 C ATOM 0 HA PRO A 48 7.305 7.666 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.280 7.900 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.288 6.629 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.839 6.161 3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.283 5.373 3.805 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.995 7.783 2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.013 6.397 1.689 1.00 0.00 H new ATOM 726 N GLU A 49 7.456 10.007 5.547 1.00 0.00 N ATOM 727 CA GLU A 49 7.431 11.397 5.917 1.00 0.00 C ATOM 728 C GLU A 49 6.715 11.480 7.246 1.00 0.00 C ATOM 729 O GLU A 49 5.553 11.073 7.361 1.00 0.00 O ATOM 730 CB GLU A 49 6.709 12.210 4.831 1.00 0.00 C ATOM 731 CG GLU A 49 6.609 13.705 5.084 1.00 0.00 C ATOM 732 CD GLU A 49 5.985 14.420 3.913 1.00 0.00 C ATOM 733 OE1 GLU A 49 4.762 14.390 3.763 1.00 0.00 O ATOM 734 OE2 GLU A 49 6.723 14.986 3.079 1.00 0.00 O ATOM 0 H GLU A 49 6.700 9.463 5.963 1.00 0.00 H new ATOM 0 HA GLU A 49 8.435 11.811 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.225 12.054 3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.701 11.812 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.016 13.885 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.603 14.111 5.273 1.00 0.00 H new ATOM 741 N ASN A 50 7.394 11.997 8.230 1.00 0.00 N ATOM 742 CA ASN A 50 6.885 11.993 9.583 1.00 0.00 C ATOM 743 C ASN A 50 6.402 13.365 9.972 1.00 0.00 C ATOM 744 O ASN A 50 7.184 14.330 10.009 1.00 0.00 O ATOM 745 CB ASN A 50 7.972 11.506 10.554 1.00 0.00 C ATOM 746 CG ASN A 50 7.507 11.404 12.005 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.000 10.372 12.436 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.704 12.448 12.769 1.00 0.00 N ATOM 0 H ASN A 50 8.311 12.432 8.125 1.00 0.00 H new ATOM 0 HA ASN A 50 6.038 11.309 9.635 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.326 10.528 10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.822 12.186 10.502 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.434 12.419 13.752 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.128 13.291 12.381 1.00 0.00 H new ATOM 755 N ALA A 51 5.137 13.467 10.254 1.00 0.00 N ATOM 756 CA ALA A 51 4.536 14.718 10.649 1.00 0.00 C ATOM 757 C ALA A 51 3.343 14.444 11.542 1.00 0.00 C ATOM 758 O ALA A 51 2.964 13.279 11.720 1.00 0.00 O ATOM 759 CB ALA A 51 4.151 15.547 9.434 1.00 0.00 C ATOM 0 H ALA A 51 4.485 12.684 10.218 1.00 0.00 H new ATOM 0 HA ALA A 51 5.263 15.303 11.212 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.700 16.484 9.761 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.041 15.759 8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.435 14.993 8.827 1.00 0.00 H new ATOM 765 N THR A 52 2.751 15.472 12.101 1.00 0.00 N ATOM 766 CA THR A 52 1.666 15.285 13.025 1.00 0.00 C ATOM 767 C THR A 52 0.335 15.823 12.471 1.00 0.00 C ATOM 768 O THR A 52 0.260 16.956 11.992 1.00 0.00 O ATOM 769 CB THR A 52 2.003 15.973 14.354 1.00 0.00 C ATOM 770 OG1 THR A 52 3.288 15.506 14.804 1.00 0.00 O ATOM 771 CG2 THR A 52 0.961 15.659 15.411 1.00 0.00 C ATOM 0 H THR A 52 3.004 16.445 11.930 1.00 0.00 H new ATOM 0 HA THR A 52 1.540 14.214 13.183 1.00 0.00 H new ATOM 0 HB THR A 52 2.018 17.051 14.197 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.515 15.940 15.653 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.225 16.160 16.342 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.015 16.009 15.075 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.923 14.582 15.576 1.00 0.00 H new ATOM 779 N PHE A 53 -0.684 14.999 12.531 1.00 0.00 N ATOM 780 CA PHE A 53 -2.013 15.373 12.127 1.00 0.00 C ATOM 781 C PHE A 53 -2.880 15.519 13.357 1.00 0.00 C ATOM 782 O PHE A 53 -2.864 14.659 14.247 1.00 0.00 O ATOM 783 CB PHE A 53 -2.616 14.319 11.175 1.00 0.00 C ATOM 784 CG PHE A 53 -4.080 14.529 10.851 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.490 15.594 10.070 1.00 0.00 C ATOM 786 CD2 PHE A 53 -5.044 13.656 11.340 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.828 15.789 9.780 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.381 13.847 11.054 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.774 14.914 10.272 1.00 0.00 C ATOM 0 H PHE A 53 -0.610 14.039 12.866 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.968 16.322 11.592 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.047 14.320 10.245 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.494 13.332 11.622 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.755 16.283 9.681 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.744 12.818 11.951 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.132 16.626 9.169 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.120 13.161 11.442 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.819 15.064 10.046 1.00 0.00 H new ATOM 799 N VAL A 54 -3.591 16.602 13.427 1.00 0.00 N ATOM 800 CA VAL A 54 -4.524 16.838 14.493 1.00 0.00 C ATOM 801 C VAL A 54 -5.906 16.849 13.883 1.00 0.00 C ATOM 802 O VAL A 54 -6.212 17.715 13.057 1.00 0.00 O ATOM 803 CB VAL A 54 -4.259 18.195 15.212 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.229 18.396 16.376 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.820 18.283 15.704 1.00 0.00 C ATOM 0 H VAL A 54 -3.542 17.356 12.741 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.420 16.055 15.244 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.422 18.990 14.485 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.023 19.350 16.861 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.253 18.393 16.001 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.104 17.588 17.097 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.663 19.240 16.202 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.625 17.473 16.407 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.140 18.199 14.856 1.00 0.00 H new ATOM 815 N ASN A 55 -6.707 15.868 14.220 1.00 0.00 N ATOM 816 CA ASN A 55 -8.054 15.784 13.679 1.00 0.00 C ATOM 817 C ASN A 55 -8.918 16.874 14.285 1.00 0.00 C ATOM 818 O ASN A 55 -8.825 17.138 15.484 1.00 0.00 O ATOM 819 CB ASN A 55 -8.669 14.395 13.904 1.00 0.00 C ATOM 820 CG ASN A 55 -10.049 14.271 13.275 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.361 14.941 12.297 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.865 13.410 13.801 1.00 0.00 N ATOM 0 H ASN A 55 -6.457 15.117 14.863 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.003 15.935 12.601 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.010 13.635 13.484 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.740 14.199 14.974 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.794 13.277 13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.578 12.866 14.615 1.00 0.00 H new ATOM 829 N GLY A 56 -9.760 17.477 13.462 1.00 0.00 N ATOM 830 CA GLY A 56 -10.530 18.622 13.871 1.00 0.00 C ATOM 831 C GLY A 56 -11.729 18.305 14.752 1.00 0.00 C ATOM 832 O GLY A 56 -11.592 17.772 15.854 1.00 0.00 O ATOM 0 H GLY A 56 -9.923 17.183 12.499 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.875 19.310 14.407 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.880 19.144 12.980 1.00 0.00 H new ATOM 836 N ASN A 57 -12.906 18.619 14.267 1.00 0.00 N ATOM 837 CA ASN A 57 -14.124 18.512 15.085 1.00 0.00 C ATOM 838 C ASN A 57 -15.023 17.379 14.622 1.00 0.00 C ATOM 839 O ASN A 57 -16.154 17.232 15.098 1.00 0.00 O ATOM 840 CB ASN A 57 -14.917 19.837 15.061 1.00 0.00 C ATOM 841 CG ASN A 57 -15.510 20.175 13.691 1.00 0.00 C ATOM 842 OD1 ASN A 57 -16.625 19.780 13.372 1.00 0.00 O ATOM 843 ND2 ASN A 57 -14.784 20.917 12.891 1.00 0.00 N ATOM 0 H ASN A 57 -13.062 18.951 13.315 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.801 18.297 16.104 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.723 19.781 15.792 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.260 20.649 15.373 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.144 21.181 11.974 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.859 21.230 13.185 1.00 0.00 H new ATOM 850 N GLN A 58 -14.525 16.555 13.750 1.00 0.00 N ATOM 851 CA GLN A 58 -15.330 15.503 13.186 1.00 0.00 C ATOM 852 C GLN A 58 -14.585 14.172 13.254 1.00 0.00 C ATOM 853 O GLN A 58 -13.378 14.143 13.061 1.00 0.00 O ATOM 854 CB GLN A 58 -15.679 15.862 11.736 1.00 0.00 C ATOM 855 CG GLN A 58 -14.471 15.985 10.821 1.00 0.00 C ATOM 856 CD GLN A 58 -14.801 16.613 9.496 1.00 0.00 C ATOM 857 OE1 GLN A 58 -14.715 17.832 9.340 1.00 0.00 O ATOM 858 NE2 GLN A 58 -15.193 15.814 8.548 1.00 0.00 N ATOM 0 H GLN A 58 -13.564 16.587 13.410 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.252 15.398 13.758 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.349 15.101 11.336 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.226 16.805 11.728 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.704 16.580 11.318 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.047 14.995 10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.250 14.810 8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.443 16.191 7.634 1.00 0.00 H new ATOM 867 N PRO A 59 -15.264 13.073 13.600 1.00 0.00 N ATOM 868 CA PRO A 59 -14.652 11.745 13.570 1.00 0.00 C ATOM 869 C PRO A 59 -14.407 11.320 12.123 1.00 0.00 C ATOM 870 O PRO A 59 -15.221 11.616 11.233 1.00 0.00 O ATOM 871 CB PRO A 59 -15.707 10.831 14.225 1.00 0.00 C ATOM 872 CG PRO A 59 -16.680 11.757 14.874 1.00 0.00 C ATOM 873 CD PRO A 59 -16.658 13.016 14.062 1.00 0.00 C ATOM 0 HA PRO A 59 -13.690 11.707 14.082 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.198 10.202 13.483 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.250 10.164 14.956 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.679 11.322 14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.399 11.955 15.908 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.360 12.974 13.229 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.924 13.888 14.659 1.00 0.00 H new ATOM 881 N ILE A 60 -13.308 10.676 11.880 1.00 0.00 N ATOM 882 CA ILE A 60 -12.969 10.251 10.543 1.00 0.00 C ATOM 883 C ILE A 60 -12.807 8.747 10.527 1.00 0.00 C ATOM 884 O ILE A 60 -12.046 8.196 11.326 1.00 0.00 O ATOM 885 CB ILE A 60 -11.639 10.897 10.041 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.711 12.430 10.080 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.315 10.424 8.618 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.425 13.112 9.650 1.00 0.00 C ATOM 0 H ILE A 60 -12.620 10.428 12.591 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.775 10.569 9.882 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.843 10.577 10.713 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.523 12.763 9.433 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.959 12.748 11.093 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.385 10.884 8.285 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.206 9.339 8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.124 10.712 7.946 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.551 14.193 9.703 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.613 12.809 10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.185 12.825 8.626 1.00 0.00 H new ATOM 900 N VAL A 61 -13.525 8.074 9.663 1.00 0.00 N ATOM 901 CA VAL A 61 -13.342 6.656 9.534 1.00 0.00 C ATOM 902 C VAL A 61 -12.133 6.387 8.659 1.00 0.00 C ATOM 903 O VAL A 61 -11.888 7.073 7.650 1.00 0.00 O ATOM 904 CB VAL A 61 -14.594 5.883 9.035 1.00 0.00 C ATOM 905 CG1 VAL A 61 -15.763 6.098 9.975 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.961 6.258 7.615 1.00 0.00 C ATOM 0 H VAL A 61 -14.231 8.480 9.048 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.173 6.267 10.538 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.345 4.822 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.630 5.549 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.500 5.739 10.970 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -16.000 7.161 10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.841 5.695 7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.177 7.325 7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.129 6.025 6.950 1.00 0.00 H new ATOM 916 N THR A 62 -11.395 5.424 9.040 1.00 0.00 N ATOM 917 CA THR A 62 -10.132 5.142 8.450 1.00 0.00 C ATOM 918 C THR A 62 -10.079 3.699 7.942 1.00 0.00 C ATOM 919 O THR A 62 -10.935 2.863 8.314 1.00 0.00 O ATOM 920 CB THR A 62 -9.007 5.416 9.486 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.281 4.705 10.703 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.920 6.898 9.818 1.00 0.00 C ATOM 0 H THR A 62 -11.651 4.785 9.793 1.00 0.00 H new ATOM 0 HA THR A 62 -9.984 5.794 7.589 1.00 0.00 H new ATOM 0 HB THR A 62 -8.066 5.084 9.048 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.775 5.109 11.439 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.125 7.062 10.545 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.704 7.462 8.911 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.869 7.233 10.236 1.00 0.00 H new ATOM 930 N ARG A 63 -9.106 3.413 7.101 1.00 0.00 N ATOM 931 CA ARG A 63 -8.968 2.107 6.491 1.00 0.00 C ATOM 932 C ARG A 63 -7.785 1.385 7.103 1.00 0.00 C ATOM 933 O ARG A 63 -6.767 2.006 7.417 1.00 0.00 O ATOM 934 CB ARG A 63 -8.800 2.246 4.976 1.00 0.00 C ATOM 935 CG ARG A 63 -9.919 3.041 4.311 1.00 0.00 C ATOM 936 CD ARG A 63 -11.270 2.377 4.469 1.00 0.00 C ATOM 937 NE ARG A 63 -12.356 3.263 4.045 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.511 2.873 3.500 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.697 1.609 3.133 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.475 3.760 3.308 1.00 0.00 N ATOM 0 H ARG A 63 -8.388 4.081 6.821 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.869 1.522 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.847 2.731 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.757 1.252 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.956 4.041 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.697 3.159 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.297 1.460 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.417 2.092 5.511 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.218 4.265 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.953 0.924 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.584 1.324 2.718 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.333 4.734 3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.360 3.469 2.892 1.00 0.00 H new ATOM 954 N ILE A 64 -7.909 0.098 7.269 1.00 0.00 N ATOM 955 CA ILE A 64 -6.896 -0.676 7.955 1.00 0.00 C ATOM 956 C ILE A 64 -6.063 -1.528 6.985 1.00 0.00 C ATOM 957 O ILE A 64 -6.603 -2.220 6.113 1.00 0.00 O ATOM 958 CB ILE A 64 -7.547 -1.597 9.033 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.403 -0.759 10.008 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.470 -2.376 9.802 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.166 -1.580 11.032 1.00 0.00 C ATOM 0 H ILE A 64 -8.706 -0.446 6.938 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.226 0.035 8.438 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.194 -2.314 8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.754 -0.058 10.532 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.114 -0.166 9.432 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.945 -3.012 10.549 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.902 -2.994 9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.798 -1.675 10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.741 -0.915 11.677 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.843 -2.263 10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.463 -2.153 11.637 1.00 0.00 H new ATOM 973 N GLY A 65 -4.753 -1.428 7.120 1.00 0.00 N ATOM 974 CA GLY A 65 -3.812 -2.285 6.414 1.00 0.00 C ATOM 975 C GLY A 65 -3.476 -1.881 4.987 1.00 0.00 C ATOM 976 O GLY A 65 -2.415 -2.247 4.475 1.00 0.00 O ATOM 0 H GLY A 65 -4.306 -0.743 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.885 -2.321 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.216 -3.297 6.397 1.00 0.00 H new ATOM 980 N SER A 66 -4.328 -1.133 4.334 1.00 0.00 N ATOM 981 CA SER A 66 -4.071 -0.704 2.964 1.00 0.00 C ATOM 982 C SER A 66 -4.869 0.554 2.652 1.00 0.00 C ATOM 983 O SER A 66 -5.977 0.712 3.156 1.00 0.00 O ATOM 984 CB SER A 66 -4.448 -1.822 1.968 1.00 0.00 C ATOM 985 OG SER A 66 -3.693 -3.010 2.208 1.00 0.00 O ATOM 0 H SER A 66 -5.212 -0.802 4.722 1.00 0.00 H new ATOM 0 HA SER A 66 -3.007 -0.488 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.512 -2.042 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.273 -1.478 0.949 1.00 0.00 H new ATOM 0 HG SER A 66 -3.168 -3.231 1.411 1.00 0.00 H new ATOM 991 N PRO A 67 -4.300 1.499 1.888 1.00 0.00 N ATOM 992 CA PRO A 67 -5.032 2.673 1.464 1.00 0.00 C ATOM 993 C PRO A 67 -5.755 2.445 0.116 1.00 0.00 C ATOM 994 O PRO A 67 -5.129 2.191 -0.909 1.00 0.00 O ATOM 995 CB PRO A 67 -3.928 3.717 1.314 1.00 0.00 C ATOM 996 CG PRO A 67 -2.705 2.940 0.928 1.00 0.00 C ATOM 997 CD PRO A 67 -2.901 1.522 1.415 1.00 0.00 C ATOM 0 HA PRO A 67 -5.819 2.957 2.163 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.183 4.454 0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.771 4.262 2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.563 2.959 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.813 3.380 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.738 0.799 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.204 1.275 2.216 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.057 2.576 0.155 1.00 0.00 N ATOM 1006 CA PHE A 68 -7.982 2.436 -0.965 1.00 0.00 C ATOM 1007 C PHE A 68 -9.288 2.953 -0.448 1.00 0.00 C ATOM 1008 O PHE A 68 -9.454 3.071 0.765 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.245 0.956 -1.411 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.086 0.168 -1.956 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -6.632 0.387 -3.243 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.463 -0.805 -1.185 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -5.583 -0.340 -3.752 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -5.412 -1.539 -1.693 1.00 0.00 C ATOM 1015 CZ PHE A 68 -4.970 -1.306 -2.979 1.00 0.00 C ATOM 0 H PHE A 68 -7.541 2.798 1.025 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.560 2.957 -1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.644 0.414 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.027 0.970 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.107 1.139 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.805 -0.989 -0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.237 -0.156 -4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.936 -2.295 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.146 -1.878 -3.380 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.205 3.237 -1.317 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.544 3.605 -0.900 1.00 0.00 C ATOM 1027 C LEU A 69 -12.358 2.322 -0.697 1.00 0.00 C ATOM 1028 O LEU A 69 -13.389 2.311 -0.045 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.194 4.506 -1.951 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.495 5.848 -2.209 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -12.099 6.532 -3.423 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -11.619 6.753 -0.991 1.00 0.00 C ATOM 0 H LEU A 69 -10.062 3.224 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.508 4.162 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.243 3.957 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.221 4.706 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.439 5.655 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.594 7.482 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.978 5.894 -4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.160 6.711 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.118 7.701 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.672 6.936 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.155 6.271 -0.131 1.00 0.00 H new ATOM 1044 N ASN A 70 -11.852 1.242 -1.270 1.00 0.00 N ATOM 1045 CA ASN A 70 -12.457 -0.089 -1.168 1.00 0.00 C ATOM 1046 C ASN A 70 -11.791 -0.885 -0.017 1.00 0.00 C ATOM 1047 O ASN A 70 -12.175 -2.007 0.287 1.00 0.00 O ATOM 1048 CB ASN A 70 -12.275 -0.819 -2.529 1.00 0.00 C ATOM 1049 CG ASN A 70 -12.926 -2.199 -2.620 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -12.311 -3.212 -2.316 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -14.142 -2.248 -3.087 1.00 0.00 N ATOM 0 H ASN A 70 -10.998 1.259 -1.828 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.521 -0.006 -0.944 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.685 -0.189 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.208 -0.924 -2.727 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.606 -3.148 -3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.629 -1.386 -3.332 1.00 0.00 H new ATOM 1058 N ALA A 71 -10.822 -0.256 0.644 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.046 -0.894 1.720 1.00 0.00 C ATOM 1060 C ALA A 71 -10.915 -1.141 2.962 1.00 0.00 C ATOM 1061 O ALA A 71 -11.943 -0.470 3.131 1.00 0.00 O ATOM 1062 CB ALA A 71 -8.860 -0.017 2.084 1.00 0.00 C ATOM 0 H ALA A 71 -10.548 0.708 0.454 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.691 -1.860 1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.287 -0.492 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.223 0.116 1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.217 0.955 2.424 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.523 -2.103 3.847 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.281 -2.426 5.065 1.00 0.00 C ATOM 1070 C PRO A 72 -11.510 -1.209 5.958 1.00 0.00 C ATOM 1071 O PRO A 72 -10.560 -0.546 6.398 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.382 -3.433 5.786 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.599 -4.063 4.698 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.327 -2.969 3.717 1.00 0.00 C ATOM 0 HA PRO A 72 -12.276 -2.801 4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.733 -2.941 6.510 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.969 -4.171 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.671 -4.489 5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.156 -4.877 4.234 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.410 -2.430 3.956 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.215 -3.354 2.703 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.762 -0.932 6.214 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.180 0.164 7.051 1.00 0.00 C ATOM 1084 C VAL A 73 -13.486 -0.414 8.442 1.00 0.00 C ATOM 1085 O VAL A 73 -13.459 -1.634 8.611 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.431 0.885 6.427 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.684 0.023 6.478 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.674 2.275 7.022 1.00 0.00 C ATOM 0 H VAL A 73 -13.539 -1.475 5.837 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.397 0.918 7.132 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.191 1.036 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.518 0.567 6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.515 -0.898 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -15.918 -0.218 7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.550 2.724 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.842 2.187 8.095 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.803 2.905 6.842 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.760 0.418 9.413 1.00 0.00 N ATOM 1099 CA GLY A 74 -14.028 -0.078 10.747 1.00 0.00 C ATOM 1100 C GLY A 74 -13.044 0.461 11.744 1.00 0.00 C ATOM 1101 O GLY A 74 -13.137 0.185 12.941 1.00 0.00 O ATOM 0 H GLY A 74 -13.804 1.432 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.039 0.202 11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.987 -1.167 10.746 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.089 1.212 11.256 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.198 1.915 12.129 1.00 0.00 C ATOM 1107 C GLY A 75 -11.677 3.335 12.233 1.00 0.00 C ATOM 1108 O GLY A 75 -11.913 3.967 11.211 1.00 0.00 O ATOM 0 H GLY A 75 -11.913 1.349 10.261 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.179 1.446 13.113 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.180 1.883 11.741 1.00 0.00 H new ATOM 1112 N ASN A 76 -11.871 3.834 13.416 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.380 5.190 13.571 1.00 0.00 C ATOM 1114 C ASN A 76 -11.359 6.066 14.272 1.00 0.00 C ATOM 1115 O ASN A 76 -10.654 5.610 15.187 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.704 5.185 14.356 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.368 6.561 14.442 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.249 7.391 13.545 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -15.075 6.799 15.507 1.00 0.00 N ATOM 0 H ASN A 76 -11.691 3.339 14.289 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.566 5.599 12.578 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.394 4.486 13.884 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.518 4.817 15.365 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.550 7.695 15.614 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.155 6.089 16.235 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.252 7.287 13.819 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.376 8.263 14.400 1.00 0.00 C ATOM 1128 C LEU A 77 -11.236 9.376 15.005 1.00 0.00 C ATOM 1129 O LEU A 77 -11.933 10.095 14.270 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.443 8.841 13.327 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.386 9.833 13.811 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.395 9.147 14.735 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.670 10.468 12.631 1.00 0.00 C ATOM 0 H LEU A 77 -11.783 7.635 13.020 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.761 7.802 15.173 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.934 8.013 12.834 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.055 9.334 12.572 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.886 10.623 14.372 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.650 9.869 15.070 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.923 8.743 15.599 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.900 8.336 14.200 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.921 11.171 12.995 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.182 9.692 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.392 10.997 12.009 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.245 9.511 16.339 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.054 10.524 17.018 1.00 0.00 C ATOM 1147 C PRO A 78 -11.549 11.962 16.777 1.00 0.00 C ATOM 1148 O PRO A 78 -10.419 12.185 16.304 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.936 10.149 18.498 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.662 9.389 18.604 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.482 8.680 17.294 1.00 0.00 C ATOM 0 HA PRO A 78 -13.079 10.530 16.647 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.919 11.037 19.130 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.784 9.545 18.820 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.825 10.059 18.801 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.702 8.677 19.429 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.430 8.613 17.016 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.866 7.661 17.334 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.396 12.919 17.081 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.084 14.326 16.917 1.00 0.00 C ATOM 1161 C ALA A 79 -11.109 14.785 17.995 1.00 0.00 C ATOM 1162 O ALA A 79 -11.219 14.377 19.153 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.361 15.145 16.977 1.00 0.00 C ATOM 0 H ALA A 79 -13.330 12.744 17.452 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.613 14.472 15.945 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.122 16.201 16.853 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.033 14.829 16.179 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.846 14.993 17.941 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.154 15.612 17.614 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.171 16.110 18.553 1.00 0.00 C ATOM 1171 C GLY A 80 -7.985 15.182 18.692 1.00 0.00 C ATOM 1172 O GLY A 80 -7.043 15.468 19.443 1.00 0.00 O ATOM 0 H GLY A 80 -10.039 15.953 16.659 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.825 17.091 18.227 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.639 16.245 19.528 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.015 14.078 17.972 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.955 13.103 18.045 1.00 0.00 C ATOM 1178 C ALA A 81 -5.706 13.611 17.354 1.00 0.00 C ATOM 1179 O ALA A 81 -5.749 14.051 16.197 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.396 11.778 17.451 1.00 0.00 C ATOM 0 H ALA A 81 -8.768 13.837 17.328 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.719 12.941 19.097 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.579 11.059 17.518 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.257 11.401 18.002 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.669 11.921 16.405 1.00 0.00 H new ATOM 1186 N THR A 82 -4.624 13.588 18.074 1.00 0.00 N ATOM 1187 CA THR A 82 -3.350 13.971 17.562 1.00 0.00 C ATOM 1188 C THR A 82 -2.583 12.698 17.202 1.00 0.00 C ATOM 1189 O THR A 82 -2.300 11.871 18.068 1.00 0.00 O ATOM 1190 CB THR A 82 -2.599 14.769 18.637 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.427 15.879 19.043 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.279 15.291 18.106 1.00 0.00 C ATOM 0 H THR A 82 -4.606 13.296 19.051 1.00 0.00 H new ATOM 0 HA THR A 82 -3.454 14.596 16.675 1.00 0.00 H new ATOM 0 HB THR A 82 -2.388 14.116 19.484 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.962 16.399 19.732 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.768 15.852 18.889 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.655 14.453 17.795 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.463 15.944 17.252 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.296 12.525 15.941 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.655 11.323 15.458 1.00 0.00 C ATOM 1202 C ILE A 83 -0.401 11.675 14.668 1.00 0.00 C ATOM 1203 O ILE A 83 -0.441 12.520 13.771 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.620 10.508 14.537 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.901 10.074 15.283 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.921 9.301 13.928 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.672 9.135 16.462 1.00 0.00 C ATOM 0 H ILE A 83 -2.498 13.212 15.215 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.389 10.717 16.324 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.918 11.174 13.727 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.414 10.966 15.642 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.569 9.586 14.573 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.621 8.757 13.294 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.073 9.635 13.330 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.568 8.645 14.724 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.629 8.887 16.921 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.190 8.222 16.112 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.033 9.624 17.197 1.00 0.00 H new ATOM 1219 N VAL A 84 0.700 11.054 15.007 1.00 0.00 N ATOM 1220 CA VAL A 84 1.914 11.234 14.262 1.00 0.00 C ATOM 1221 C VAL A 84 2.017 10.128 13.195 1.00 0.00 C ATOM 1222 O VAL A 84 1.928 8.927 13.495 1.00 0.00 O ATOM 1223 CB VAL A 84 3.183 11.283 15.186 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.384 9.994 15.979 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.432 11.633 14.387 1.00 0.00 C ATOM 0 H VAL A 84 0.778 10.416 15.799 1.00 0.00 H new ATOM 0 HA VAL A 84 1.879 12.204 13.767 1.00 0.00 H new ATOM 0 HB VAL A 84 3.007 12.075 15.914 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.275 10.084 16.600 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.516 9.818 16.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.505 9.158 15.290 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.294 11.660 15.053 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.593 10.881 13.615 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.304 12.610 13.920 1.00 0.00 H new ATOM 1235 N TYR A 85 2.139 10.528 11.969 1.00 0.00 N ATOM 1236 CA TYR A 85 2.216 9.592 10.878 1.00 0.00 C ATOM 1237 C TYR A 85 3.618 9.547 10.341 1.00 0.00 C ATOM 1238 O TYR A 85 4.317 10.564 10.343 1.00 0.00 O ATOM 1239 CB TYR A 85 1.184 9.910 9.779 1.00 0.00 C ATOM 1240 CG TYR A 85 1.233 11.325 9.240 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.036 11.657 8.157 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.462 12.327 9.814 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.071 12.945 7.672 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.492 13.613 9.330 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.293 13.918 8.265 1.00 0.00 C ATOM 1246 OH TYR A 85 1.325 15.207 7.792 1.00 0.00 O ATOM 0 H TYR A 85 2.188 11.508 11.690 1.00 0.00 H new ATOM 0 HA TYR A 85 1.964 8.600 11.253 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.333 9.217 8.951 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.186 9.723 10.175 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.641 10.895 7.689 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.172 12.092 10.656 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.704 13.192 6.832 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.115 14.379 9.789 1.00 0.00 H new ATOM 0 HH TYR A 85 0.718 15.765 8.321 1.00 0.00 H new ATOM 1256 N ASP A 86 4.027 8.378 9.915 1.00 0.00 N ATOM 1257 CA ASP A 86 5.388 8.152 9.446 1.00 0.00 C ATOM 1258 C ASP A 86 5.450 7.872 7.949 1.00 0.00 C ATOM 1259 O ASP A 86 6.519 7.968 7.337 1.00 0.00 O ATOM 1260 CB ASP A 86 6.060 7.007 10.240 1.00 0.00 C ATOM 1261 CG ASP A 86 5.281 5.701 10.199 1.00 0.00 C ATOM 1262 OD1 ASP A 86 5.427 4.920 9.239 1.00 0.00 O ATOM 1263 OD2 ASP A 86 4.492 5.431 11.145 1.00 0.00 O ATOM 0 H ASP A 86 3.432 7.550 9.880 1.00 0.00 H new ATOM 0 HA ASP A 86 5.939 9.076 9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.060 6.837 9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.180 7.317 11.278 1.00 0.00 H new ATOM 1268 N GLU A 87 4.328 7.554 7.345 1.00 0.00 N ATOM 1269 CA GLU A 87 4.322 7.261 5.938 1.00 0.00 C ATOM 1270 C GLU A 87 3.137 7.935 5.280 1.00 0.00 C ATOM 1271 O GLU A 87 2.047 7.976 5.842 1.00 0.00 O ATOM 1272 CB GLU A 87 4.293 5.750 5.716 1.00 0.00 C ATOM 1273 CG GLU A 87 4.551 5.318 4.284 1.00 0.00 C ATOM 1274 CD GLU A 87 4.644 3.825 4.155 1.00 0.00 C ATOM 1275 OE1 GLU A 87 5.708 3.250 4.501 1.00 0.00 O ATOM 1276 OE2 GLU A 87 3.677 3.191 3.710 1.00 0.00 O ATOM 0 H GLU A 87 3.419 7.493 7.803 1.00 0.00 H new ATOM 0 HA GLU A 87 5.233 7.649 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.039 5.286 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.321 5.369 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.750 5.688 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.477 5.771 3.930 1.00 0.00 H new ATOM 1283 N VAL A 88 3.359 8.490 4.125 1.00 0.00 N ATOM 1284 CA VAL A 88 2.322 9.161 3.382 1.00 0.00 C ATOM 1285 C VAL A 88 2.080 8.383 2.100 1.00 0.00 C ATOM 1286 O VAL A 88 3.036 8.001 1.423 1.00 0.00 O ATOM 1287 CB VAL A 88 2.736 10.621 3.052 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.638 11.339 2.302 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.079 11.381 4.324 1.00 0.00 C ATOM 0 H VAL A 88 4.269 8.492 3.665 1.00 0.00 H new ATOM 0 HA VAL A 88 1.411 9.202 3.978 1.00 0.00 H new ATOM 0 HB VAL A 88 3.620 10.581 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.954 12.359 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.432 10.815 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.735 11.362 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.367 12.402 4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.210 11.401 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.907 10.886 4.832 1.00 0.00 H new ATOM 1299 N CYS A 89 0.833 8.114 1.796 1.00 0.00 N ATOM 1300 CA CYS A 89 0.470 7.341 0.630 1.00 0.00 C ATOM 1301 C CYS A 89 -0.564 8.085 -0.219 1.00 0.00 C ATOM 1302 O CYS A 89 -1.519 8.640 0.304 1.00 0.00 O ATOM 1303 CB CYS A 89 -0.106 5.993 1.066 1.00 0.00 C ATOM 1304 SG CYS A 89 0.999 4.983 2.077 1.00 0.00 S ATOM 0 H CYS A 89 0.037 8.426 2.352 1.00 0.00 H new ATOM 0 HA CYS A 89 1.366 7.185 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.025 6.171 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.379 5.426 0.176 1.00 0.00 H new ATOM 0 HG CYS A 89 0.611 3.743 2.037 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.365 8.098 -1.512 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.301 8.712 -2.423 1.00 0.00 C ATOM 1312 C ILE A 90 -2.119 7.646 -3.128 1.00 0.00 C ATOM 1313 O ILE A 90 -1.578 6.787 -3.849 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.618 9.639 -3.485 1.00 0.00 C ATOM 1315 CG1 ILE A 90 0.089 10.816 -2.798 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.647 10.158 -4.503 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.780 11.770 -3.760 1.00 0.00 C ATOM 0 H ILE A 90 0.450 7.684 -1.965 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.947 9.347 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 90 0.126 9.048 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.642 11.373 -2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.827 10.425 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.148 10.799 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.106 9.314 -5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.417 10.729 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.255 12.573 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.536 11.229 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.044 12.192 -4.445 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.392 7.688 -2.880 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.360 6.837 -3.501 1.00 0.00 C ATOM 1331 C GLN A 91 -5.362 7.798 -4.097 1.00 0.00 C ATOM 1332 O GLN A 91 -5.977 8.555 -3.353 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.991 5.932 -2.424 1.00 0.00 C ATOM 1334 CG GLN A 91 -6.110 5.009 -2.883 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.679 3.959 -3.901 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -4.470 3.468 -3.796 1.00 0.00 O flip ATOM 1337 NE2 GLN A 91 -6.467 3.553 -4.757 1.00 0.00 N flip ATOM 0 H GLN A 91 -3.801 8.342 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.952 6.173 -4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.202 5.320 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.378 6.568 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.529 4.504 -2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.908 5.612 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -7.404 3.952 -4.818 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -6.183 2.818 -5.404 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.520 7.760 -5.414 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.243 8.794 -6.171 1.00 0.00 C ATOM 1348 C ALA A 92 -7.603 9.134 -5.585 1.00 0.00 C ATOM 1349 O ALA A 92 -8.557 8.348 -5.653 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.380 8.386 -7.625 1.00 0.00 C ATOM 0 H ALA A 92 -5.151 7.009 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.644 9.702 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.917 9.161 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.390 8.255 -8.061 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.932 7.448 -7.689 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.652 10.297 -4.967 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.839 10.780 -4.353 1.00 0.00 C ATOM 1358 C GLY A 93 -8.530 11.429 -3.026 1.00 0.00 C ATOM 1359 O GLY A 93 -9.050 12.488 -2.696 1.00 0.00 O ATOM 0 H GLY A 93 -6.854 10.927 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.327 11.500 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.539 9.957 -4.206 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.646 10.822 -2.273 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.276 11.322 -0.952 1.00 0.00 C ATOM 1365 C HIS A 94 -5.841 11.017 -0.668 1.00 0.00 C ATOM 1366 O HIS A 94 -5.271 10.090 -1.244 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.169 10.724 0.166 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.542 11.332 0.266 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.639 10.878 -0.431 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -9.981 12.383 0.986 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.678 11.627 -0.146 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.308 12.547 0.709 1.00 0.00 N ATOM 0 H HIS A 94 -7.158 9.969 -2.548 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.428 12.401 -0.959 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.272 9.652 -0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.661 10.847 1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.391 12.986 1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.672 11.505 -0.549 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.912 13.268 1.104 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.244 11.791 0.177 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.909 11.507 0.578 1.00 0.00 C ATOM 1383 C ILE A 95 -4.020 10.760 1.892 1.00 0.00 C ATOM 1384 O ILE A 95 -4.717 11.186 2.802 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.024 12.797 0.673 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.548 12.440 0.849 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.485 13.734 1.788 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.624 13.639 0.766 1.00 0.00 C ATOM 0 H ILE A 95 -5.658 12.621 0.601 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.395 10.897 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.143 13.330 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.412 11.952 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.263 11.717 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.841 14.613 1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.514 14.043 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.430 13.215 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.408 13.313 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.731 14.114 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.883 14.353 1.548 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.431 9.632 1.959 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.591 8.792 3.097 1.00 0.00 C ATOM 1402 C TRP A 96 -2.372 8.830 3.942 1.00 0.00 C ATOM 1403 O TRP A 96 -1.245 8.759 3.442 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.898 7.352 2.668 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.157 7.226 1.860 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.304 7.504 0.542 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.437 6.785 2.317 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.596 7.281 0.149 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.311 6.836 1.214 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.931 6.358 3.543 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.643 6.476 1.304 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.255 5.999 3.632 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.100 6.061 2.517 1.00 0.00 C ATOM 0 H TRP A 96 -2.822 9.256 1.232 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.433 9.163 3.682 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.061 6.968 2.085 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.981 6.726 3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.514 7.852 -0.107 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.962 7.426 -0.792 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.288 6.309 4.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.296 6.522 0.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.651 5.663 4.579 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.136 5.774 2.622 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.572 8.971 5.201 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.483 8.924 6.108 1.00 0.00 C ATOM 1426 C ILE A 97 -1.442 7.550 6.736 1.00 0.00 C ATOM 1427 O ILE A 97 -2.434 7.081 7.325 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.526 10.039 7.199 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.807 9.963 8.046 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.399 11.414 6.542 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.796 10.849 9.279 1.00 0.00 C ATOM 0 H ILE A 97 -3.485 9.121 5.630 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.570 9.116 5.544 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.684 9.881 7.873 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.657 10.239 7.423 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.962 8.930 8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.430 12.188 7.309 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.453 11.474 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.224 11.562 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.736 10.734 9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.969 10.560 9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.675 11.890 8.978 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.344 6.884 6.550 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.181 5.591 7.092 1.00 0.00 C ATOM 1445 C GLY A 98 0.514 5.690 8.394 1.00 0.00 C ATOM 1446 O GLY A 98 1.683 6.082 8.463 1.00 0.00 O ATOM 0 H GLY A 98 0.455 7.229 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.152 5.113 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.393 4.967 6.407 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.169 5.347 9.421 1.00 0.00 N ATOM 1451 CA TYR A 99 0.372 5.448 10.730 1.00 0.00 C ATOM 1452 C TYR A 99 0.129 4.182 11.473 1.00 0.00 C ATOM 1453 O TYR A 99 -0.806 3.431 11.161 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.245 6.641 11.489 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.758 6.573 11.670 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.611 7.116 10.723 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.326 5.969 12.793 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.976 7.062 10.881 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.695 5.911 12.954 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.516 6.461 11.997 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.888 6.402 12.152 1.00 0.00 O ATOM 0 H TYR A 99 -1.122 4.987 9.381 1.00 0.00 H new ATOM 0 HA TYR A 99 1.446 5.617 10.651 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.221 6.708 12.472 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.002 7.559 10.956 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.197 7.590 9.845 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.684 5.540 13.548 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.624 7.490 10.131 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.120 5.437 13.826 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.103 5.945 12.992 1.00 0.00 H new ATOM 1471 N ASN A 100 0.953 3.926 12.408 1.00 0.00 N ATOM 1472 CA ASN A 100 0.767 2.816 13.264 1.00 0.00 C ATOM 1473 C ASN A 100 -0.072 3.292 14.420 1.00 0.00 C ATOM 1474 O ASN A 100 0.336 4.187 15.164 1.00 0.00 O ATOM 1475 CB ASN A 100 2.112 2.262 13.728 1.00 0.00 C ATOM 1476 CG ASN A 100 1.975 1.167 14.758 1.00 0.00 C ATOM 1477 OD1 ASN A 100 1.822 -0.007 14.424 1.00 0.00 O ATOM 1478 ND2 ASN A 100 2.075 1.526 16.004 1.00 0.00 N ATOM 0 H ASN A 100 1.785 4.482 12.607 1.00 0.00 H new ATOM 0 HA ASN A 100 0.263 1.999 12.748 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.657 1.877 12.866 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.708 3.073 14.145 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.027 0.824 16.742 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.201 2.510 16.243 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.256 2.761 14.529 1.00 0.00 N ATOM 1486 CA ALA A 101 -2.179 3.179 15.544 1.00 0.00 C ATOM 1487 C ALA A 101 -1.824 2.569 16.876 1.00 0.00 C ATOM 1488 O ALA A 101 -1.077 1.592 16.950 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.601 2.811 15.158 1.00 0.00 C ATOM 0 H ALA A 101 -1.609 2.026 13.916 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.113 4.263 15.634 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.286 3.136 15.941 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.862 3.301 14.220 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.677 1.731 15.036 1.00 0.00 H new ATOM 1495 N TYR A 102 -2.410 3.112 17.917 1.00 0.00 N ATOM 1496 CA TYR A 102 -2.196 2.673 19.293 1.00 0.00 C ATOM 1497 C TYR A 102 -2.796 1.285 19.558 1.00 0.00 C ATOM 1498 O TYR A 102 -2.672 0.732 20.645 1.00 0.00 O ATOM 1499 CB TYR A 102 -2.748 3.731 20.269 1.00 0.00 C ATOM 1500 CG TYR A 102 -4.190 4.149 20.028 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -4.497 5.201 19.166 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -5.234 3.505 20.666 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -5.802 5.589 18.951 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -6.543 3.888 20.457 1.00 0.00 C ATOM 1505 CZ TYR A 102 -6.822 4.930 19.597 1.00 0.00 C ATOM 1506 OH TYR A 102 -8.131 5.314 19.382 1.00 0.00 O ATOM 0 H TYR A 102 -3.065 3.890 17.838 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.123 2.574 19.457 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.664 3.343 21.284 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.116 4.617 20.213 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.698 5.721 18.658 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.021 2.688 21.340 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.022 6.406 18.279 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.346 3.374 20.965 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.729 4.747 19.912 1.00 0.00 H new ATOM 1516 N ASN A 103 -3.440 0.751 18.551 1.00 0.00 N ATOM 1517 CA ASN A 103 -4.025 -0.571 18.590 1.00 0.00 C ATOM 1518 C ASN A 103 -3.032 -1.589 17.977 1.00 0.00 C ATOM 1519 O ASN A 103 -3.248 -2.806 18.013 1.00 0.00 O ATOM 1520 CB ASN A 103 -5.381 -0.538 17.843 1.00 0.00 C ATOM 1521 CG ASN A 103 -6.127 -1.864 17.799 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -6.861 -2.206 18.726 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -6.026 -2.567 16.700 1.00 0.00 N ATOM 0 H ASN A 103 -3.577 1.231 17.661 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.218 -0.886 19.616 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.021 0.206 18.317 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.207 -0.203 16.821 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.565 -3.426 16.593 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.408 -2.256 15.950 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.935 -1.069 17.413 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.870 -1.913 16.870 1.00 0.00 C ATOM 1532 C GLY A 104 -0.976 -2.140 15.372 1.00 0.00 C ATOM 1533 O GLY A 104 -0.080 -2.724 14.750 1.00 0.00 O ATOM 0 H GLY A 104 -1.764 -0.068 17.322 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.094 -1.455 17.092 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.889 -2.878 17.377 1.00 0.00 H new ATOM 1537 N ASN A 105 -2.057 -1.702 14.806 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.332 -1.871 13.390 1.00 0.00 C ATOM 1539 C ASN A 105 -1.947 -0.635 12.580 1.00 0.00 C ATOM 1540 O ASN A 105 -1.954 0.493 13.091 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.817 -2.251 13.152 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.828 -1.274 13.770 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -4.565 -0.637 14.795 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.997 -1.185 13.193 1.00 0.00 N ATOM 0 H ASN A 105 -2.792 -1.208 15.312 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.709 -2.693 13.038 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.997 -2.310 12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.995 -3.246 13.560 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.716 -0.579 13.589 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.190 -1.721 12.347 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.598 -0.859 11.339 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.262 0.189 10.406 1.00 0.00 C ATOM 1553 C ARG A 106 -2.559 0.710 9.803 1.00 0.00 C ATOM 1554 O ARG A 106 -3.225 0.020 9.023 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.324 -0.358 9.308 1.00 0.00 C ATOM 1556 CG ARG A 106 0.055 0.643 8.210 1.00 0.00 C ATOM 1557 CD ARG A 106 0.876 1.817 8.731 1.00 0.00 C ATOM 1558 NE ARG A 106 2.180 1.403 9.256 1.00 0.00 N ATOM 1559 CZ ARG A 106 3.243 2.209 9.422 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.184 3.496 9.094 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.364 1.714 9.898 1.00 0.00 N ATOM 0 H ARG A 106 -1.538 -1.795 10.939 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.738 1.000 10.912 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.590 -0.717 9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.802 -1.220 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.621 0.126 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.854 1.022 7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.024 2.537 7.927 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.317 2.326 9.516 1.00 0.00 H new ATOM 0 HE ARG A 106 2.290 0.423 9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.323 3.885 8.710 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.000 4.094 9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.423 0.725 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.175 2.319 10.027 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.927 1.886 10.183 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.165 2.459 9.746 1.00 0.00 C ATOM 1577 C VAL A 107 -3.871 3.618 8.808 1.00 0.00 C ATOM 1578 O VAL A 107 -2.848 4.299 8.953 1.00 0.00 O ATOM 1579 CB VAL A 107 -5.010 2.948 10.953 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.378 3.403 10.510 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -5.142 1.862 11.997 1.00 0.00 C ATOM 0 H VAL A 107 -2.381 2.482 10.806 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.742 1.697 9.223 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.488 3.797 11.395 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.948 3.740 11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.276 4.224 9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.900 2.574 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.738 2.230 12.832 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.631 0.992 11.558 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.152 1.579 12.355 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.731 3.807 7.844 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.595 4.858 6.881 1.00 0.00 C ATOM 1593 C TYR A 108 -5.769 5.811 7.004 1.00 0.00 C ATOM 1594 O TYR A 108 -6.937 5.392 6.936 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.508 4.273 5.461 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.285 3.405 5.238 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -3.275 2.072 5.626 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.139 3.926 4.659 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -2.162 1.285 5.441 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.014 3.140 4.473 1.00 0.00 C ATOM 1601 CZ TYR A 108 -1.036 1.819 4.865 1.00 0.00 C ATOM 1602 OH TYR A 108 0.083 1.039 4.699 1.00 0.00 O ATOM 0 H TYR A 108 -5.557 3.225 7.706 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.674 5.409 7.073 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.403 3.683 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.500 5.090 4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.157 1.645 6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.123 4.960 4.348 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.174 0.250 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.126 3.559 4.024 1.00 0.00 H new ATOM 0 HH TYR A 108 0.791 1.568 4.276 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.467 7.059 7.227 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.487 8.075 7.352 1.00 0.00 C ATOM 1614 C CYS A 109 -6.521 8.906 6.082 1.00 0.00 C ATOM 1615 O CYS A 109 -5.468 9.317 5.590 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.242 8.956 8.589 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.491 10.233 8.878 1.00 0.00 S ATOM 0 H CYS A 109 -4.513 7.405 7.328 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.456 7.595 7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.190 8.314 9.469 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.269 9.437 8.487 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.182 10.909 9.945 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.731 9.136 5.520 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.903 9.878 4.263 1.00 0.00 C ATOM 1625 C PRO A 110 -7.601 11.377 4.367 1.00 0.00 C ATOM 1626 O PRO A 110 -7.462 12.020 3.347 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.374 9.643 3.898 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.050 9.318 5.191 1.00 0.00 C ATOM 1629 CD PRO A 110 -9.025 8.646 6.055 1.00 0.00 C ATOM 0 HA PRO A 110 -7.196 9.527 3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.812 10.528 3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.477 8.826 3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.427 10.222 5.669 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.906 8.664 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.150 8.913 7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.098 7.560 5.991 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.571 11.898 5.623 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.216 13.317 6.035 1.00 0.00 C ATOM 1639 C VAL A 111 -7.741 14.504 5.171 1.00 0.00 C ATOM 1640 O VAL A 111 -8.414 15.403 5.694 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.713 13.515 6.404 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.352 12.678 7.597 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.779 13.197 5.246 1.00 0.00 C ATOM 0 H VAL A 111 -7.804 11.322 6.432 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.820 13.387 6.940 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.584 14.570 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.300 12.827 7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.968 12.972 8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.526 11.626 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.746 13.352 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.915 12.159 4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.006 13.852 4.405 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.404 14.530 3.907 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.807 15.568 2.998 1.00 0.00 C ATOM 1655 C ARG A 112 -7.825 15.011 1.590 1.00 0.00 C ATOM 1656 O ARG A 112 -7.087 14.059 1.270 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.872 16.790 3.074 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.430 16.516 2.701 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.603 17.780 2.762 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.177 17.524 2.540 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.274 18.462 2.222 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.645 19.726 2.049 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -1.006 18.132 2.086 1.00 0.00 N ATOM 0 H ARG A 112 -6.827 13.810 3.472 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.804 15.906 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.260 17.567 2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.900 17.188 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.011 15.771 3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.384 16.096 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.964 18.484 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.738 18.253 3.735 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.848 16.563 2.634 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.624 19.990 2.158 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.951 20.433 1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.713 17.164 2.223 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.317 18.844 1.844 1.00 0.00 H new ATOM 1677 N THR A 113 -8.675 15.553 0.777 1.00 0.00 N ATOM 1678 CA THR A 113 -8.804 15.153 -0.600 1.00 0.00 C ATOM 1679 C THR A 113 -7.524 15.525 -1.372 1.00 0.00 C ATOM 1680 O THR A 113 -6.941 16.579 -1.115 1.00 0.00 O ATOM 1681 CB THR A 113 -10.025 15.872 -1.184 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.125 15.690 -0.272 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.414 15.306 -2.539 1.00 0.00 C ATOM 0 H THR A 113 -9.313 16.300 1.050 1.00 0.00 H new ATOM 0 HA THR A 113 -8.939 14.074 -0.681 1.00 0.00 H new ATOM 0 HB THR A 113 -9.782 16.926 -1.317 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.156 14.755 0.021 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.283 15.841 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.582 15.422 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.656 14.248 -2.436 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.067 14.643 -2.248 1.00 0.00 N ATOM 1692 CA CYS A 114 -5.871 14.869 -3.054 1.00 0.00 C ATOM 1693 C CYS A 114 -5.916 14.065 -4.337 1.00 0.00 C ATOM 1694 O CYS A 114 -6.130 12.848 -4.317 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.569 14.548 -2.287 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.165 15.704 -0.959 1.00 0.00 S ATOM 0 H CYS A 114 -7.516 13.744 -2.423 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.864 15.932 -3.294 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.651 13.546 -1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.742 14.529 -2.996 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.230 16.369 -0.624 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.730 14.736 -5.445 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.700 14.081 -6.722 1.00 0.00 C ATOM 1704 C GLN A 115 -4.417 14.455 -7.413 1.00 0.00 C ATOM 1705 O GLN A 115 -4.117 15.639 -7.583 1.00 0.00 O ATOM 1706 CB GLN A 115 -6.902 14.473 -7.590 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.259 14.099 -7.004 1.00 0.00 C ATOM 1708 CD GLN A 115 -9.424 14.471 -7.911 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -9.213 14.436 -9.205 1.00 0.00 O flip ATOM 1710 NE2 GLN A 115 -10.514 14.777 -7.443 1.00 0.00 N flip ATOM 0 H GLN A 115 -5.596 15.746 -5.485 1.00 0.00 H new ATOM 0 HA GLN A 115 -5.754 13.003 -6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.877 15.550 -7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.799 13.998 -8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.283 13.026 -6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.382 14.596 -6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.648 14.795 -6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -11.288 15.013 -8.064 1.00 0.00 H new ATOM 1719 N GLY A 116 -3.642 13.485 -7.762 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.416 13.760 -8.414 1.00 0.00 C ATOM 1721 C GLY A 116 -1.553 12.560 -8.496 1.00 0.00 C ATOM 1722 O GLY A 116 -1.897 11.496 -7.967 1.00 0.00 O ATOM 0 H GLY A 116 -3.839 12.497 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.615 14.133 -9.419 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -1.889 14.550 -7.879 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.465 12.720 -9.167 1.00 0.00 N ATOM 1727 CA VAL A 117 0.529 11.709 -9.330 1.00 0.00 C ATOM 1728 C VAL A 117 1.831 12.368 -8.950 1.00 0.00 C ATOM 1729 O VAL A 117 2.097 13.489 -9.427 1.00 0.00 O ATOM 1730 CB VAL A 117 0.616 11.200 -10.808 1.00 0.00 C ATOM 1731 CG1 VAL A 117 1.664 10.102 -10.956 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -0.737 10.701 -11.297 1.00 0.00 C ATOM 0 H VAL A 117 -0.231 13.594 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 117 0.293 10.839 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 117 0.917 12.047 -11.424 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.699 9.770 -11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.640 10.489 -10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.402 9.260 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.646 10.354 -12.326 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.072 9.879 -10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.463 11.513 -11.251 1.00 0.00 H new ATOM 1742 N PRO A 118 2.613 11.746 -8.039 1.00 0.00 N ATOM 1743 CA PRO A 118 3.904 12.268 -7.584 1.00 0.00 C ATOM 1744 C PRO A 118 4.763 12.810 -8.722 1.00 0.00 C ATOM 1745 O PRO A 118 4.873 12.186 -9.786 1.00 0.00 O ATOM 1746 CB PRO A 118 4.560 11.049 -6.976 1.00 0.00 C ATOM 1747 CG PRO A 118 3.427 10.310 -6.391 1.00 0.00 C ATOM 1748 CD PRO A 118 2.282 10.487 -7.350 1.00 0.00 C ATOM 0 HA PRO A 118 3.783 13.109 -6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.082 10.456 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.295 11.323 -6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.672 9.255 -6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.174 10.699 -5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.209 9.653 -8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.327 10.552 -6.829 1.00 0.00 H new ATOM 1756 N PRO A 119 5.409 13.959 -8.508 1.00 0.00 N ATOM 1757 CA PRO A 119 5.380 14.678 -7.219 1.00 0.00 C ATOM 1758 C PRO A 119 4.122 15.563 -7.002 1.00 0.00 C ATOM 1759 O PRO A 119 3.800 15.938 -5.853 1.00 0.00 O ATOM 1760 CB PRO A 119 6.628 15.553 -7.311 1.00 0.00 C ATOM 1761 CG PRO A 119 6.796 15.832 -8.770 1.00 0.00 C ATOM 1762 CD PRO A 119 6.256 14.638 -9.505 1.00 0.00 C ATOM 0 HA PRO A 119 5.351 13.984 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.506 16.476 -6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.500 15.041 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 119 6.259 16.737 -9.055 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.846 15.994 -9.014 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.680 14.936 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 119 7.058 13.989 -9.856 1.00 0.00 H new ATOM 1770 N ASN A 120 3.380 15.827 -8.066 1.00 0.00 N ATOM 1771 CA ASN A 120 2.276 16.789 -8.006 1.00 0.00 C ATOM 1772 C ASN A 120 1.014 16.207 -7.381 1.00 0.00 C ATOM 1773 O ASN A 120 0.269 15.455 -8.007 1.00 0.00 O ATOM 1774 CB ASN A 120 1.959 17.342 -9.402 1.00 0.00 C ATOM 1775 CG ASN A 120 3.092 18.148 -9.997 1.00 0.00 C ATOM 1776 OD1 ASN A 120 3.975 17.606 -10.675 1.00 0.00 O ATOM 1777 ND2 ASN A 120 3.075 19.435 -9.775 1.00 0.00 N ATOM 0 H ASN A 120 3.516 15.394 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 120 2.613 17.600 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.723 16.513 -10.069 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.068 17.968 -9.344 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.806 20.030 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 120 2.331 19.845 -9.211 1.00 0.00 H new ATOM 1784 N HIS A 121 0.820 16.532 -6.128 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.365 16.159 -5.376 1.00 0.00 C ATOM 1786 C HIS A 121 -1.279 17.368 -5.148 1.00 0.00 C ATOM 1787 O HIS A 121 -0.896 18.300 -4.427 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.001 15.405 -4.066 1.00 0.00 C ATOM 1789 CG HIS A 121 0.944 16.115 -3.123 1.00 0.00 C ATOM 1790 ND1 HIS A 121 2.304 16.257 -3.367 1.00 0.00 N ATOM 1791 CD2 HIS A 121 0.725 16.691 -1.918 1.00 0.00 C ATOM 1792 CE1 HIS A 121 2.862 16.881 -2.354 1.00 0.00 C ATOM 1793 NE2 HIS A 121 1.929 17.154 -1.468 1.00 0.00 N ATOM 0 H HIS A 121 1.492 17.075 -5.585 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.938 15.451 -5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.924 15.190 -3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.441 14.446 -4.335 1.00 0.00 H new ATOM 0 HD1 HIS A 121 2.792 15.929 -4.200 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.224 16.770 -1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.910 17.128 -2.264 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.453 17.367 -5.757 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.389 18.485 -5.623 1.00 0.00 C ATOM 1804 C ILE A 122 -4.355 18.242 -4.463 1.00 0.00 C ATOM 1805 O ILE A 122 -5.166 17.325 -4.523 1.00 0.00 O ATOM 1806 CB ILE A 122 -4.208 18.699 -6.925 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -3.255 18.901 -8.103 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.153 19.894 -6.778 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -3.937 19.150 -9.433 1.00 0.00 C ATOM 0 H ILE A 122 -2.786 16.607 -6.350 1.00 0.00 H new ATOM 0 HA ILE A 122 -2.797 19.379 -5.428 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.817 17.814 -7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.600 19.744 -7.883 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.620 18.020 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.718 20.027 -7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.843 19.713 -5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.573 20.794 -6.575 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.183 19.282 -10.209 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.570 18.298 -9.682 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.549 20.049 -9.365 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.271 19.052 -3.400 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.115 18.906 -2.222 1.00 0.00 C ATOM 1823 C PRO A 123 -6.483 19.594 -2.363 1.00 0.00 C ATOM 1824 O PRO A 123 -6.715 20.393 -3.291 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.291 19.573 -1.129 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.537 20.654 -1.831 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.341 20.192 -3.257 1.00 0.00 C ATOM 0 HA PRO A 123 -5.360 17.862 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.929 19.980 -0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.615 18.863 -0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.089 21.593 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.577 20.833 -1.347 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.571 20.985 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.310 19.890 -3.440 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.384 19.235 -1.478 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.691 19.822 -1.421 1.00 0.00 C ATOM 1837 C GLY A 124 -9.090 20.109 0.011 1.00 0.00 C ATOM 1838 O GLY A 124 -8.296 20.661 0.774 1.00 0.00 O ATOM 0 H GLY A 124 -7.222 18.518 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.705 20.746 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.417 19.149 -1.878 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.282 19.693 0.386 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.811 19.938 1.727 1.00 0.00 C ATOM 1844 C VAL A 125 -10.130 19.043 2.765 1.00 0.00 C ATOM 1845 O VAL A 125 -10.089 17.810 2.610 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.356 19.724 1.777 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.905 19.959 3.185 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.052 20.648 0.788 1.00 0.00 C ATOM 0 H VAL A 125 -10.916 19.176 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.597 20.979 1.969 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.556 18.689 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.984 19.802 3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.436 19.262 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.687 20.981 3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.129 20.486 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.829 21.685 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.697 20.435 -0.220 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.531 19.677 3.759 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.909 18.993 4.870 1.00 0.00 C ATOM 1860 C ALA A 126 -9.881 18.884 6.032 1.00 0.00 C ATOM 1861 O ALA A 126 -10.719 19.770 6.233 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.650 19.720 5.300 1.00 0.00 C ATOM 0 H ALA A 126 -9.465 20.693 3.814 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.635 17.988 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.193 19.193 6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.948 19.755 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.902 20.736 5.605 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.785 17.818 6.797 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.665 17.640 7.943 1.00 0.00 C ATOM 1870 C TRP A 127 -9.924 17.842 9.264 1.00 0.00 C ATOM 1871 O TRP A 127 -10.466 17.575 10.345 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.324 16.263 7.907 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.098 16.020 6.656 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.052 16.825 6.119 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.001 14.887 5.793 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.540 16.275 4.970 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -12.916 15.086 4.745 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.223 13.730 5.797 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.080 14.171 3.719 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.388 12.824 4.776 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.307 13.050 3.751 1.00 0.00 C ATOM 0 H TRP A 127 -9.114 17.064 6.652 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.441 18.403 7.880 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.556 15.496 8.007 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.989 16.162 8.765 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.377 17.765 6.541 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.258 16.688 4.375 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.507 13.549 6.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -13.792 14.339 2.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.795 11.921 4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.408 12.318 2.963 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.722 18.357 9.186 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.945 18.565 10.375 1.00 0.00 C ATOM 1894 C GLY A 128 -6.829 19.537 10.142 1.00 0.00 C ATOM 1895 O GLY A 128 -6.797 20.203 9.100 1.00 0.00 O ATOM 0 H GLY A 128 -8.266 18.637 8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.590 18.935 11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.535 17.613 10.713 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.929 19.616 11.084 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.799 20.521 11.030 1.00 0.00 C ATOM 1901 C VAL A 129 -3.522 19.686 10.874 1.00 0.00 C ATOM 1902 O VAL A 129 -3.395 18.619 11.489 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.716 21.387 12.326 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.634 22.443 12.212 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -6.062 22.036 12.641 1.00 0.00 C ATOM 0 H VAL A 129 -5.955 19.045 11.929 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.916 21.199 10.185 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.456 20.720 13.148 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.600 23.030 13.130 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.670 21.960 12.055 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.853 23.099 11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.974 22.633 13.549 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.359 22.678 11.812 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.814 21.261 12.788 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.598 20.149 10.058 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.391 19.394 9.759 1.00 0.00 C ATOM 1917 C PHE A 130 -0.143 20.145 10.204 1.00 0.00 C ATOM 1918 O PHE A 130 0.082 21.288 9.788 1.00 0.00 O ATOM 1919 CB PHE A 130 -1.275 19.160 8.248 1.00 0.00 C ATOM 1920 CG PHE A 130 -2.388 18.383 7.616 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.332 17.004 7.542 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -3.477 19.035 7.066 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.341 16.292 6.934 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -4.485 18.331 6.464 1.00 0.00 C ATOM 1925 CZ PHE A 130 -4.422 16.957 6.395 1.00 0.00 C ATOM 0 H PHE A 130 -2.658 21.051 9.585 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.463 18.448 10.296 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.210 20.130 7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -0.338 18.639 8.052 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -1.488 16.480 7.965 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -3.533 20.113 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -3.286 15.215 6.879 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.331 18.854 6.043 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.217 16.402 5.920 1.00 0.00 H new ATOM 1935 N LYS A 131 0.652 19.526 11.038 1.00 0.00 N ATOM 1936 CA LYS A 131 1.934 20.060 11.392 1.00 0.00 C ATOM 1937 C LYS A 131 3.005 18.993 11.236 1.00 0.00 C ATOM 1938 O LYS A 131 3.392 18.324 12.221 1.00 0.00 O ATOM 1939 CB LYS A 131 1.988 20.787 12.766 1.00 0.00 C ATOM 1940 CG LYS A 131 1.423 20.056 13.977 1.00 0.00 C ATOM 1941 CD LYS A 131 1.869 20.768 15.258 1.00 0.00 C ATOM 1942 CE LYS A 131 1.175 20.240 16.503 1.00 0.00 C ATOM 1943 NZ LYS A 131 -0.228 20.708 16.596 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.434 18.772 10.085 1.00 0.00 O ATOM 0 H LYS A 131 0.426 18.639 11.488 1.00 0.00 H new ATOM 0 HA LYS A 131 2.139 20.864 10.685 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.030 21.029 12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.455 21.732 12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.335 20.029 13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.768 19.022 13.984 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.947 20.655 15.374 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.669 21.835 15.162 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.194 19.150 16.494 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.724 20.561 17.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -0.665 20.326 17.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.246 21.747 16.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.759 20.380 15.764 1.00 0.00 H new