USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 816 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 102 CYS SG : rot -28:sc= -0.144 USER MOD Set 1.2: A 105 CYS SG : rot 84:sc= -0.651 USER MOD Set 1.3: A 123 CYS SG : rot -168:sc= 0.367 USER MOD Set 1.4: A 126 CYS SG : rot 51:sc= -0.242 USER MOD Set 2.1: A 68 THR OG1 : rot -30:sc= -3.33! USER MOD Set 2.2: A 80 GLN : amide:sc= -3.24! K(o=-6.6!,f=-4.3) USER MOD Set 3.1: A 32 SER OG : rot 127:sc= -0.643! USER MOD Set 3.2: A 39 THR OG1 : rot -180:sc= 1.65 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.0097) USER MOD Single : A 37 ASN : amide:sc= 0.748 K(o=0.75,f=-0.096) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 43 ASN : amide:sc= -0.0777 K(o=-0.078,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.78) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.5) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 58:sc= 0.639 USER MOD Single : A 85 HIS : no HE2:sc= -2.89! C(o=-2.9!,f=-10!) USER MOD Single : A 89 ASN : amide:sc= -0.819 K(o=-0.82,f=-2.5!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.9!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.9!) USER MOD Single : A 110 THR OG1 : rot -110:sc= -0.334 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 137:sc= 0.225 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 505 N TYR A 31 -8.433 -1.420 1.058 1.00 0.00 N ATOM 506 CA TYR A 31 -8.962 -0.625 2.153 1.00 0.00 C ATOM 507 C TYR A 31 -9.239 -1.515 3.356 1.00 0.00 C ATOM 508 O TYR A 31 -9.475 -2.715 3.208 1.00 0.00 O ATOM 509 CB TYR A 31 -10.239 0.106 1.730 1.00 0.00 C ATOM 510 CG TYR A 31 -11.167 -0.710 0.855 1.00 0.00 C ATOM 511 CD1 TYR A 31 -10.913 -0.866 -0.501 1.00 0.00 C ATOM 512 CD2 TYR A 31 -12.302 -1.313 1.384 1.00 0.00 C ATOM 513 CE1 TYR A 31 -11.763 -1.600 -1.307 1.00 0.00 C ATOM 514 CE2 TYR A 31 -13.156 -2.051 0.585 1.00 0.00 C ATOM 515 CZ TYR A 31 -12.882 -2.191 -0.759 1.00 0.00 C ATOM 516 OH TYR A 31 -13.731 -2.921 -1.560 1.00 0.00 O ATOM 0 HA TYR A 31 -8.217 0.123 2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.780 0.414 2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.963 1.015 1.196 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.037 -0.406 -0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -12.521 -1.203 2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.552 -1.710 -2.360 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -14.033 -2.515 1.011 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.470 -3.271 -1.020 1.00 0.00 H new ATOM 526 N SER A 32 -9.207 -0.932 4.547 1.00 0.00 N ATOM 527 CA SER A 32 -9.458 -1.695 5.761 1.00 0.00 C ATOM 528 C SER A 32 -10.948 -1.715 6.080 1.00 0.00 C ATOM 529 O SER A 32 -11.774 -1.358 5.239 1.00 0.00 O ATOM 530 CB SER A 32 -8.658 -1.125 6.934 1.00 0.00 C ATOM 531 OG SER A 32 -9.191 0.111 7.375 1.00 0.00 O ATOM 0 H SER A 32 -9.012 0.058 4.698 1.00 0.00 H new ATOM 0 HA SER A 32 -9.130 -2.721 5.596 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.661 -1.838 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.619 -0.988 6.635 1.00 0.00 H new ATOM 0 HG SER A 32 -9.363 0.068 8.339 1.00 0.00 H new ATOM 537 N VAL A 33 -11.293 -2.145 7.287 1.00 0.00 N ATOM 538 CA VAL A 33 -12.696 -2.221 7.690 1.00 0.00 C ATOM 539 C VAL A 33 -12.939 -1.532 9.027 1.00 0.00 C ATOM 540 O VAL A 33 -12.183 -1.718 9.980 1.00 0.00 O ATOM 541 CB VAL A 33 -13.181 -3.685 7.794 1.00 0.00 C ATOM 542 CG1 VAL A 33 -14.542 -3.846 7.138 1.00 0.00 C ATOM 543 CG2 VAL A 33 -12.172 -4.644 7.176 1.00 0.00 C ATOM 0 H VAL A 33 -10.629 -2.445 8.001 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.261 -1.707 6.913 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.275 -3.932 8.851 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -14.866 -4.883 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.265 -3.199 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.473 -3.571 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.540 -5.666 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -12.033 -4.398 6.123 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.219 -4.556 7.698 1.00 0.00 H new ATOM 553 N ILE A 34 -14.006 -0.737 9.091 1.00 0.00 N ATOM 554 CA ILE A 34 -14.351 -0.027 10.312 1.00 0.00 C ATOM 555 C ILE A 34 -15.157 -0.916 11.247 1.00 0.00 C ATOM 556 O ILE A 34 -16.301 -1.266 10.958 1.00 0.00 O ATOM 557 CB ILE A 34 -15.156 1.265 10.040 1.00 0.00 C ATOM 558 CG1 ILE A 34 -16.022 1.149 8.784 1.00 0.00 C ATOM 559 CG2 ILE A 34 -14.222 2.453 9.928 1.00 0.00 C ATOM 560 CD1 ILE A 34 -17.115 2.196 8.717 1.00 0.00 C ATOM 0 H ILE A 34 -14.642 -0.571 8.311 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.405 0.249 10.778 1.00 0.00 H new ATOM 0 HB ILE A 34 -15.827 1.415 10.885 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -15.387 1.238 7.903 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.474 0.158 8.752 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.803 3.355 9.736 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.668 2.569 10.859 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.523 2.290 9.108 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -17.694 2.060 7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -17.771 2.093 9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.667 3.190 8.718 1.00 0.00 H new ATOM 572 N GLN A 35 -14.556 -1.267 12.374 1.00 0.00 N ATOM 573 CA GLN A 35 -15.220 -2.104 13.362 1.00 0.00 C ATOM 574 C GLN A 35 -15.227 -1.411 14.718 1.00 0.00 C ATOM 575 O GLN A 35 -14.295 -1.556 15.509 1.00 0.00 O ATOM 576 CB GLN A 35 -14.533 -3.467 13.462 1.00 0.00 C ATOM 577 CG GLN A 35 -15.247 -4.441 14.386 1.00 0.00 C ATOM 578 CD GLN A 35 -16.555 -4.947 13.805 1.00 0.00 C ATOM 579 OE1 GLN A 35 -16.596 -5.993 13.157 1.00 0.00 O ATOM 580 NE2 GLN A 35 -17.633 -4.205 14.035 1.00 0.00 N ATOM 0 H GLN A 35 -13.609 -0.985 12.627 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.251 -2.263 13.045 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.467 -3.905 12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.512 -3.325 13.816 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.593 -5.289 14.590 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.443 -3.953 15.341 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.554 -3.345 14.577 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.540 -4.496 13.669 1.00 0.00 H new ATOM 589 N GLY A 36 -16.282 -0.645 14.972 1.00 0.00 N ATOM 590 CA GLY A 36 -16.391 0.072 16.226 1.00 0.00 C ATOM 591 C GLY A 36 -15.395 1.209 16.326 1.00 0.00 C ATOM 592 O GLY A 36 -15.762 2.378 16.209 1.00 0.00 O ATOM 0 H GLY A 36 -17.063 -0.509 14.331 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.402 0.467 16.330 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.233 -0.620 17.053 1.00 0.00 H new ATOM 596 N ASN A 37 -14.128 0.866 16.539 1.00 0.00 N ATOM 597 CA ASN A 37 -13.072 1.865 16.652 1.00 0.00 C ATOM 598 C ASN A 37 -11.712 1.261 16.315 1.00 0.00 C ATOM 599 O ASN A 37 -10.684 1.693 16.836 1.00 0.00 O ATOM 600 CB ASN A 37 -13.046 2.451 18.067 1.00 0.00 C ATOM 601 CG ASN A 37 -13.230 3.956 18.077 1.00 0.00 C ATOM 602 OD1 ASN A 37 -12.508 4.676 18.767 1.00 0.00 O ATOM 603 ND2 ASN A 37 -14.199 4.441 17.308 1.00 0.00 N ATOM 0 H ASN A 37 -13.808 -0.098 16.637 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.282 2.662 15.939 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -13.833 1.988 18.663 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.098 2.201 18.543 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -14.368 5.446 17.274 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.774 3.808 16.752 1.00 0.00 H new ATOM 610 N ARG A 38 -11.713 0.255 15.445 1.00 0.00 N ATOM 611 CA ARG A 38 -10.475 -0.408 15.047 1.00 0.00 C ATOM 612 C ARG A 38 -10.491 -0.765 13.566 1.00 0.00 C ATOM 613 O ARG A 38 -11.552 -0.920 12.960 1.00 0.00 O ATOM 614 CB ARG A 38 -10.241 -1.682 15.875 1.00 0.00 C ATOM 615 CG ARG A 38 -11.427 -2.105 16.730 1.00 0.00 C ATOM 616 CD ARG A 38 -10.983 -2.936 17.923 1.00 0.00 C ATOM 617 NE ARG A 38 -11.967 -3.956 18.271 1.00 0.00 N ATOM 618 CZ ARG A 38 -13.157 -3.686 18.803 1.00 0.00 C ATOM 619 NH1 ARG A 38 -13.502 -2.433 19.072 1.00 0.00 N ATOM 620 NH2 ARG A 38 -14.003 -4.671 19.071 1.00 0.00 N ATOM 0 H ARG A 38 -12.554 -0.118 15.004 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.661 0.293 15.232 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.987 -2.498 15.199 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.379 -1.526 16.524 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.960 -1.220 17.079 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.127 -2.680 16.124 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.029 -3.413 17.698 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.819 -2.283 18.780 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.729 -4.932 18.096 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.854 -1.671 18.871 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.415 -2.232 19.480 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.742 -5.636 18.870 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.915 -4.464 19.479 1.00 0.00 H new ATOM 634 N THR A 39 -9.300 -0.904 12.999 1.00 0.00 N ATOM 635 CA THR A 39 -9.152 -1.258 11.596 1.00 0.00 C ATOM 636 C THR A 39 -8.679 -2.705 11.473 1.00 0.00 C ATOM 637 O THR A 39 -7.636 -3.071 12.012 1.00 0.00 O ATOM 638 CB THR A 39 -8.190 -0.269 10.905 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.857 0.390 9.851 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.934 -0.879 10.308 1.00 0.00 C ATOM 0 H THR A 39 -8.418 -0.776 13.494 1.00 0.00 H new ATOM 0 HA THR A 39 -10.115 -1.185 11.091 1.00 0.00 H new ATOM 0 HB THR A 39 -7.878 0.398 11.708 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.242 1.017 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.332 -0.095 9.849 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.357 -1.366 11.094 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.210 -1.614 9.552 1.00 0.00 H new ATOM 648 N PHE A 40 -9.463 -3.528 10.779 1.00 0.00 N ATOM 649 CA PHE A 40 -9.125 -4.938 10.607 1.00 0.00 C ATOM 650 C PHE A 40 -8.407 -5.169 9.286 1.00 0.00 C ATOM 651 O PHE A 40 -8.985 -5.699 8.338 1.00 0.00 O ATOM 652 CB PHE A 40 -10.383 -5.805 10.673 1.00 0.00 C ATOM 653 CG PHE A 40 -10.946 -5.941 12.056 1.00 0.00 C ATOM 654 CD1 PHE A 40 -11.194 -4.822 12.836 1.00 0.00 C ATOM 655 CD2 PHE A 40 -11.220 -7.192 12.578 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.705 -4.952 14.112 1.00 0.00 C ATOM 657 CE2 PHE A 40 -11.733 -7.329 13.852 1.00 0.00 C ATOM 658 CZ PHE A 40 -11.975 -6.207 14.621 1.00 0.00 C ATOM 0 H PHE A 40 -10.333 -3.244 10.329 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.456 -5.222 11.420 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -11.144 -5.377 10.020 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.151 -6.797 10.285 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.985 -3.839 12.441 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.030 -8.072 11.982 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.893 -4.073 14.711 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.945 -8.312 14.247 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.375 -6.311 15.619 1.00 0.00 H new ATOM 668 N ILE A 41 -7.145 -4.765 9.228 1.00 0.00 N ATOM 669 CA ILE A 41 -6.356 -4.927 8.018 1.00 0.00 C ATOM 670 C ILE A 41 -6.164 -6.407 7.686 1.00 0.00 C ATOM 671 O ILE A 41 -5.762 -7.201 8.540 1.00 0.00 O ATOM 672 CB ILE A 41 -4.992 -4.198 8.146 1.00 0.00 C ATOM 673 CG1 ILE A 41 -5.001 -2.927 7.310 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.820 -5.070 7.722 1.00 0.00 C ATOM 675 CD1 ILE A 41 -4.184 -1.811 7.919 1.00 0.00 C ATOM 0 H ILE A 41 -6.649 -4.324 10.003 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.902 -4.470 7.193 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.860 -3.958 9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.615 -3.151 6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.030 -2.589 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.891 -4.510 7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.783 -5.960 8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.944 -5.365 6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.231 -0.933 7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.584 -1.562 8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.147 -2.132 8.020 1.00 0.00 H new ATOM 687 N GLN A 42 -6.455 -6.768 6.438 1.00 0.00 N ATOM 688 CA GLN A 42 -6.317 -8.148 5.983 1.00 0.00 C ATOM 689 C GLN A 42 -5.177 -8.274 4.977 1.00 0.00 C ATOM 690 O GLN A 42 -4.468 -9.280 4.951 1.00 0.00 O ATOM 691 CB GLN A 42 -7.625 -8.638 5.355 1.00 0.00 C ATOM 692 CG GLN A 42 -8.446 -9.523 6.278 1.00 0.00 C ATOM 693 CD GLN A 42 -9.605 -8.782 6.914 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.607 -8.523 8.118 1.00 0.00 O ATOM 695 NE2 GLN A 42 -10.601 -8.439 6.106 1.00 0.00 N ATOM 0 H GLN A 42 -6.789 -6.122 5.723 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.087 -8.769 6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.224 -7.775 5.064 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.397 -9.190 4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.829 -10.374 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.801 -9.923 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.557 -8.674 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.410 -7.940 6.477 1.00 0.00 H new ATOM 704 N ASN A 43 -5.010 -7.247 4.151 1.00 0.00 N ATOM 705 CA ASN A 43 -3.958 -7.241 3.143 1.00 0.00 C ATOM 706 C ASN A 43 -2.857 -6.245 3.504 1.00 0.00 C ATOM 707 O ASN A 43 -2.411 -5.467 2.661 1.00 0.00 O ATOM 708 CB ASN A 43 -4.538 -6.904 1.766 1.00 0.00 C ATOM 709 CG ASN A 43 -5.892 -7.547 1.529 1.00 0.00 C ATOM 710 OD1 ASN A 43 -6.181 -8.623 2.053 1.00 0.00 O ATOM 711 ND2 ASN A 43 -6.730 -6.890 0.736 1.00 0.00 N ATOM 0 H ASN A 43 -5.590 -6.408 4.160 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.521 -8.239 3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.632 -5.822 1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.843 -7.233 0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.654 -7.274 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.450 -6.001 0.322 1.00 0.00 H new ATOM 718 N PHE A 44 -2.422 -6.272 4.764 1.00 0.00 N ATOM 719 CA PHE A 44 -1.373 -5.367 5.236 1.00 0.00 C ATOM 720 C PHE A 44 -0.209 -5.299 4.250 1.00 0.00 C ATOM 721 O PHE A 44 0.493 -4.298 4.180 1.00 0.00 O ATOM 722 CB PHE A 44 -0.837 -5.827 6.599 1.00 0.00 C ATOM 723 CG PHE A 44 -0.566 -7.307 6.685 1.00 0.00 C ATOM 724 CD1 PHE A 44 0.438 -7.890 5.926 1.00 0.00 C ATOM 725 CD2 PHE A 44 -1.314 -8.113 7.531 1.00 0.00 C ATOM 726 CE1 PHE A 44 0.689 -9.248 6.009 1.00 0.00 C ATOM 727 CE2 PHE A 44 -1.066 -9.470 7.618 1.00 0.00 C ATOM 728 CZ PHE A 44 -0.064 -10.039 6.856 1.00 0.00 C ATOM 0 H PHE A 44 -2.779 -6.910 5.476 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.820 -4.377 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.084 -5.286 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.556 -5.555 7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.030 -7.277 5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.100 -7.675 8.129 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.473 -9.690 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.655 -10.085 8.282 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.130 -11.099 6.922 1.00 0.00 H new ATOM 738 N ARG A 45 -0.003 -6.371 3.502 1.00 0.00 N ATOM 739 CA ARG A 45 1.087 -6.425 2.538 1.00 0.00 C ATOM 740 C ARG A 45 0.803 -5.563 1.311 1.00 0.00 C ATOM 741 O ARG A 45 1.620 -4.729 0.920 1.00 0.00 O ATOM 742 CB ARG A 45 1.329 -7.864 2.105 1.00 0.00 C ATOM 743 CG ARG A 45 2.528 -8.018 1.193 1.00 0.00 C ATOM 744 CD ARG A 45 3.796 -8.242 1.995 1.00 0.00 C ATOM 745 NE ARG A 45 3.832 -9.582 2.576 1.00 0.00 N ATOM 746 CZ ARG A 45 4.361 -9.869 3.763 1.00 0.00 C ATOM 747 NH1 ARG A 45 4.926 -8.921 4.499 1.00 0.00 N ATOM 748 NH2 ARG A 45 4.328 -11.115 4.214 1.00 0.00 N ATOM 0 H ARG A 45 -0.575 -7.215 3.543 1.00 0.00 H new ATOM 0 HA ARG A 45 1.977 -6.031 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.472 -8.484 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.441 -8.237 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.369 -8.857 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.637 -7.126 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.664 -8.100 1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.862 -7.498 2.789 1.00 0.00 H new ATOM 0 HE ARG A 45 3.426 -10.347 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.958 -7.961 4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.328 -9.152 5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.898 -11.850 3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.732 -11.339 5.123 1.00 0.00 H new ATOM 762 N GLU A 46 -0.361 -5.773 0.712 1.00 0.00 N ATOM 763 CA GLU A 46 -0.762 -5.024 -0.472 1.00 0.00 C ATOM 764 C GLU A 46 -1.255 -3.635 -0.094 1.00 0.00 C ATOM 765 O GLU A 46 -0.895 -2.641 -0.726 1.00 0.00 O ATOM 766 CB GLU A 46 -1.853 -5.778 -1.223 1.00 0.00 C ATOM 767 CG GLU A 46 -2.034 -5.325 -2.660 1.00 0.00 C ATOM 768 CD GLU A 46 -3.034 -6.183 -3.406 1.00 0.00 C ATOM 769 OE1 GLU A 46 -4.250 -5.940 -3.261 1.00 0.00 O ATOM 770 OE2 GLU A 46 -2.602 -7.097 -4.140 1.00 0.00 O ATOM 0 H GLU A 46 -1.047 -6.459 1.028 1.00 0.00 H new ATOM 0 HA GLU A 46 0.109 -4.915 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.618 -6.842 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.797 -5.656 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.366 -4.287 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.073 -5.359 -3.174 1.00 0.00 H new ATOM 777 N VAL A 47 -2.075 -3.572 0.947 1.00 0.00 N ATOM 778 CA VAL A 47 -2.608 -2.304 1.415 1.00 0.00 C ATOM 779 C VAL A 47 -1.482 -1.381 1.850 1.00 0.00 C ATOM 780 O VAL A 47 -1.545 -0.173 1.637 1.00 0.00 O ATOM 781 CB VAL A 47 -3.584 -2.499 2.591 1.00 0.00 C ATOM 782 CG1 VAL A 47 -4.192 -1.170 3.022 1.00 0.00 C ATOM 783 CG2 VAL A 47 -4.670 -3.494 2.220 1.00 0.00 C ATOM 0 H VAL A 47 -2.384 -4.384 1.481 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.151 -1.856 0.583 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.024 -2.900 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.877 -1.336 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.399 -0.492 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.736 -0.731 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.351 -3.620 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.224 -3.123 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.216 -4.454 1.974 1.00 0.00 H new ATOM 793 N ALA A 48 -0.451 -1.953 2.463 1.00 0.00 N ATOM 794 CA ALA A 48 0.677 -1.160 2.921 1.00 0.00 C ATOM 795 C ALA A 48 1.467 -0.603 1.744 1.00 0.00 C ATOM 796 O ALA A 48 1.753 0.584 1.685 1.00 0.00 O ATOM 797 CB ALA A 48 1.583 -1.967 3.836 1.00 0.00 C ATOM 0 H ALA A 48 -0.376 -2.953 2.651 1.00 0.00 H new ATOM 0 HA ALA A 48 0.278 -0.322 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.417 -1.346 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.017 -2.300 4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.965 -2.834 3.297 1.00 0.00 H new ATOM 803 N ASP A 49 1.831 -1.467 0.809 1.00 0.00 N ATOM 804 CA ASP A 49 2.601 -1.033 -0.353 1.00 0.00 C ATOM 805 C ASP A 49 1.959 0.192 -1.012 1.00 0.00 C ATOM 806 O ASP A 49 2.541 1.276 -1.013 1.00 0.00 O ATOM 807 CB ASP A 49 2.720 -2.180 -1.359 1.00 0.00 C ATOM 808 CG ASP A 49 3.944 -2.055 -2.245 1.00 0.00 C ATOM 809 OD1 ASP A 49 3.851 -1.383 -3.294 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.994 -2.634 -1.895 1.00 0.00 O ATOM 0 H ASP A 49 1.610 -2.463 0.828 1.00 0.00 H new ATOM 0 HA ASP A 49 3.599 -0.749 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.761 -3.127 -0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.826 -2.206 -1.982 1.00 0.00 H new ATOM 815 N ALA A 50 0.773 0.014 -1.587 1.00 0.00 N ATOM 816 CA ALA A 50 0.079 1.110 -2.263 1.00 0.00 C ATOM 817 C ALA A 50 -0.089 2.346 -1.363 1.00 0.00 C ATOM 818 O ALA A 50 0.153 3.468 -1.805 1.00 0.00 O ATOM 819 CB ALA A 50 -1.263 0.630 -2.798 1.00 0.00 C ATOM 0 H ALA A 50 0.272 -0.875 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 50 0.701 1.424 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.771 1.454 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.103 -0.182 -3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.878 0.274 -1.971 1.00 0.00 H new ATOM 825 N LEU A 51 -0.495 2.147 -0.104 1.00 0.00 N ATOM 826 CA LEU A 51 -0.681 3.260 0.816 1.00 0.00 C ATOM 827 C LEU A 51 0.666 3.917 1.118 1.00 0.00 C ATOM 828 O LEU A 51 0.737 5.097 1.463 1.00 0.00 O ATOM 829 CB LEU A 51 -1.334 2.776 2.125 1.00 0.00 C ATOM 830 CG LEU A 51 -1.002 3.621 3.358 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.437 5.051 3.125 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.644 3.054 4.624 1.00 0.00 C ATOM 0 H LEU A 51 -0.698 1.230 0.293 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.340 3.991 0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.416 2.762 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.023 1.748 2.312 1.00 0.00 H new ATOM 0 HG LEU A 51 0.077 3.595 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.200 5.651 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.913 5.454 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.512 5.080 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.384 3.682 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.727 3.034 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.279 2.041 4.795 1.00 0.00 H new ATOM 844 N ASN A 52 1.728 3.133 0.991 1.00 0.00 N ATOM 845 CA ASN A 52 3.075 3.607 1.256 1.00 0.00 C ATOM 846 C ASN A 52 4.091 2.508 0.956 1.00 0.00 C ATOM 847 O ASN A 52 4.227 1.553 1.722 1.00 0.00 O ATOM 848 CB ASN A 52 3.189 4.039 2.718 1.00 0.00 C ATOM 849 CG ASN A 52 4.129 5.207 2.920 1.00 0.00 C ATOM 850 OD1 ASN A 52 5.188 5.283 2.299 1.00 0.00 O ATOM 851 ND2 ASN A 52 3.744 6.122 3.802 1.00 0.00 N ATOM 0 H ASN A 52 1.678 2.156 0.703 1.00 0.00 H new ATOM 0 HA ASN A 52 3.284 4.460 0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.200 4.308 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.535 3.195 3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.336 6.931 3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.856 6.015 4.293 1.00 0.00 H new ATOM 858 N ARG A 53 4.797 2.645 -0.164 1.00 0.00 N ATOM 859 CA ARG A 53 5.802 1.666 -0.575 1.00 0.00 C ATOM 860 C ARG A 53 6.664 1.235 0.609 1.00 0.00 C ATOM 861 O ARG A 53 6.882 0.044 0.833 1.00 0.00 O ATOM 862 CB ARG A 53 6.683 2.254 -1.681 1.00 0.00 C ATOM 863 CG ARG A 53 6.772 1.376 -2.919 1.00 0.00 C ATOM 864 CD ARG A 53 8.204 0.949 -3.202 1.00 0.00 C ATOM 865 NE ARG A 53 9.104 2.095 -3.309 1.00 0.00 N ATOM 866 CZ ARG A 53 10.351 2.018 -3.767 1.00 0.00 C ATOM 867 NH1 ARG A 53 10.853 0.853 -4.159 1.00 0.00 N ATOM 868 NH2 ARG A 53 11.099 3.111 -3.832 1.00 0.00 N ATOM 0 H ARG A 53 4.691 3.430 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 53 5.285 0.785 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.291 3.230 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.687 2.416 -1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.148 0.492 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.377 1.917 -3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.550 0.289 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.235 0.375 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 53 8.756 3.008 -3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.282 0.009 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.810 0.802 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.718 4.008 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.055 3.055 -4.183 1.00 0.00 H new ATOM 882 N ASP A 54 7.140 2.215 1.368 1.00 0.00 N ATOM 883 CA ASP A 54 7.967 1.945 2.535 1.00 0.00 C ATOM 884 C ASP A 54 7.096 1.528 3.718 1.00 0.00 C ATOM 885 O ASP A 54 6.167 2.242 4.092 1.00 0.00 O ATOM 886 CB ASP A 54 8.782 3.186 2.904 1.00 0.00 C ATOM 887 CG ASP A 54 10.222 3.093 2.440 1.00 0.00 C ATOM 888 OD1 ASP A 54 10.445 2.750 1.260 1.00 0.00 O ATOM 889 OD2 ASP A 54 11.127 3.363 3.257 1.00 0.00 O ATOM 0 H ASP A 54 6.966 3.205 1.195 1.00 0.00 H new ATOM 0 HA ASP A 54 8.649 1.130 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.317 4.067 2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.760 3.323 3.985 1.00 0.00 H new ATOM 894 N PRO A 55 7.382 0.367 4.328 1.00 0.00 N ATOM 895 CA PRO A 55 6.612 -0.123 5.471 1.00 0.00 C ATOM 896 C PRO A 55 6.887 0.687 6.733 1.00 0.00 C ATOM 897 O PRO A 55 6.011 0.852 7.578 1.00 0.00 O ATOM 898 CB PRO A 55 7.100 -1.563 5.638 1.00 0.00 C ATOM 899 CG PRO A 55 8.480 -1.561 5.077 1.00 0.00 C ATOM 900 CD PRO A 55 8.474 -0.555 3.958 1.00 0.00 C ATOM 0 HA PRO A 55 5.537 -0.044 5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.099 -1.863 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.457 -2.264 5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.210 -1.291 5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.753 -2.550 4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.429 -0.035 3.881 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.290 -1.029 2.994 1.00 0.00 H new ATOM 908 N GLN A 56 8.108 1.200 6.851 1.00 0.00 N ATOM 909 CA GLN A 56 8.498 1.995 8.007 1.00 0.00 C ATOM 910 C GLN A 56 7.648 3.258 8.123 1.00 0.00 C ATOM 911 O GLN A 56 7.264 3.661 9.221 1.00 0.00 O ATOM 912 CB GLN A 56 9.976 2.375 7.912 1.00 0.00 C ATOM 913 CG GLN A 56 10.867 1.251 7.406 1.00 0.00 C ATOM 914 CD GLN A 56 12.212 1.217 8.103 1.00 0.00 C ATOM 915 OE1 GLN A 56 12.813 2.258 8.368 1.00 0.00 O ATOM 916 NE2 GLN A 56 12.693 0.017 8.403 1.00 0.00 N ATOM 0 H GLN A 56 8.845 1.078 6.157 1.00 0.00 H new ATOM 0 HA GLN A 56 8.336 1.389 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.079 3.234 7.249 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.325 2.688 8.896 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.361 0.297 7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.020 1.368 6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.161 -0.820 8.165 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.595 -0.068 8.872 1.00 0.00 H new ATOM 925 N HIS A 57 7.353 3.875 6.983 1.00 0.00 N ATOM 926 CA HIS A 57 6.544 5.088 6.967 1.00 0.00 C ATOM 927 C HIS A 57 5.097 4.758 7.288 1.00 0.00 C ATOM 928 O HIS A 57 4.541 5.248 8.271 1.00 0.00 O ATOM 929 CB HIS A 57 6.642 5.787 5.608 1.00 0.00 C ATOM 930 CG HIS A 57 6.993 7.238 5.712 1.00 0.00 C ATOM 931 ND1 HIS A 57 8.058 7.803 5.046 1.00 0.00 N ATOM 932 CD2 HIS A 57 6.415 8.244 6.413 1.00 0.00 C ATOM 933 CE1 HIS A 57 8.124 9.090 5.330 1.00 0.00 C ATOM 934 NE2 HIS A 57 7.137 9.385 6.157 1.00 0.00 N ATOM 0 H HIS A 57 7.660 3.557 6.064 1.00 0.00 H new ATOM 0 HA HIS A 57 6.927 5.767 7.729 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.393 5.281 5.001 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.690 5.687 5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.549 8.164 7.053 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.860 9.784 4.951 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.942 10.309 6.543 1.00 0.00 H new ATOM 942 N LEU A 58 4.498 3.916 6.458 1.00 0.00 N ATOM 943 CA LEU A 58 3.116 3.498 6.649 1.00 0.00 C ATOM 944 C LEU A 58 2.839 3.185 8.111 1.00 0.00 C ATOM 945 O LEU A 58 1.819 3.590 8.667 1.00 0.00 O ATOM 946 CB LEU A 58 2.835 2.253 5.817 1.00 0.00 C ATOM 947 CG LEU A 58 1.366 2.008 5.481 1.00 0.00 C ATOM 948 CD1 LEU A 58 1.227 1.664 4.012 1.00 0.00 C ATOM 949 CD2 LEU A 58 0.790 0.894 6.350 1.00 0.00 C ATOM 0 H LEU A 58 4.951 3.507 5.641 1.00 0.00 H new ATOM 0 HA LEU A 58 2.469 4.316 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.396 2.325 4.885 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.217 1.384 6.353 1.00 0.00 H new ATOM 0 HG LEU A 58 0.803 2.918 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.177 1.490 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.602 2.490 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.802 0.764 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.258 0.737 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.348 -0.027 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.868 1.175 7.400 1.00 0.00 H new ATOM 961 N LEU A 59 3.753 2.443 8.718 1.00 0.00 N ATOM 962 CA LEU A 59 3.612 2.046 10.108 1.00 0.00 C ATOM 963 C LEU A 59 3.681 3.252 11.042 1.00 0.00 C ATOM 964 O LEU A 59 2.886 3.374 11.973 1.00 0.00 O ATOM 965 CB LEU A 59 4.676 1.009 10.465 1.00 0.00 C ATOM 966 CG LEU A 59 4.571 -0.312 9.694 1.00 0.00 C ATOM 967 CD1 LEU A 59 5.765 -1.203 9.990 1.00 0.00 C ATOM 968 CD2 LEU A 59 3.276 -1.038 10.028 1.00 0.00 C ATOM 0 H LEU A 59 4.602 2.103 8.267 1.00 0.00 H new ATOM 0 HA LEU A 59 2.628 1.595 10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.660 1.442 10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.612 0.797 11.532 1.00 0.00 H new ATOM 0 HG LEU A 59 4.567 -0.078 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.670 -2.135 9.433 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.682 -0.694 9.692 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.801 -1.420 11.057 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.227 -1.972 9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.245 -1.254 11.096 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.427 -0.409 9.760 1.00 0.00 H new ATOM 980 N LYS A 60 4.619 4.152 10.784 1.00 0.00 N ATOM 981 CA LYS A 60 4.756 5.346 11.605 1.00 0.00 C ATOM 982 C LYS A 60 3.499 6.204 11.509 1.00 0.00 C ATOM 983 O LYS A 60 3.193 6.977 12.416 1.00 0.00 O ATOM 984 CB LYS A 60 5.977 6.158 11.171 1.00 0.00 C ATOM 985 CG LYS A 60 7.069 6.213 12.223 1.00 0.00 C ATOM 986 CD LYS A 60 8.157 5.190 11.946 1.00 0.00 C ATOM 987 CE LYS A 60 9.387 5.839 11.335 1.00 0.00 C ATOM 988 NZ LYS A 60 10.646 5.233 11.849 1.00 0.00 N ATOM 0 H LYS A 60 5.291 4.080 10.020 1.00 0.00 H new ATOM 0 HA LYS A 60 4.892 5.035 12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.385 5.727 10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.662 7.174 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.504 7.212 12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.638 6.030 13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.432 4.689 12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.775 4.424 11.271 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.351 5.737 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.382 6.907 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.463 5.703 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.693 5.353 12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.663 4.219 11.617 1.00 0.00 H new ATOM 1002 N PHE A 61 2.776 6.066 10.400 1.00 0.00 N ATOM 1003 CA PHE A 61 1.560 6.836 10.188 1.00 0.00 C ATOM 1004 C PHE A 61 0.385 6.262 10.989 1.00 0.00 C ATOM 1005 O PHE A 61 -0.364 7.017 11.608 1.00 0.00 O ATOM 1006 CB PHE A 61 1.229 6.916 8.692 1.00 0.00 C ATOM 1007 CG PHE A 61 0.900 8.312 8.224 1.00 0.00 C ATOM 1008 CD1 PHE A 61 1.854 9.318 8.286 1.00 0.00 C ATOM 1009 CD2 PHE A 61 -0.357 8.619 7.722 1.00 0.00 C ATOM 1010 CE1 PHE A 61 1.561 10.600 7.857 1.00 0.00 C ATOM 1011 CE2 PHE A 61 -0.654 9.900 7.293 1.00 0.00 C ATOM 1012 CZ PHE A 61 0.306 10.891 7.360 1.00 0.00 C ATOM 0 H PHE A 61 3.013 5.430 9.639 1.00 0.00 H new ATOM 0 HA PHE A 61 1.734 7.848 10.553 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.077 6.539 8.119 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.384 6.261 8.479 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.837 9.097 8.674 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.112 7.849 7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.313 11.373 7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.637 10.125 6.906 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.075 11.891 7.024 1.00 0.00 H new ATOM 1022 N LEU A 62 0.219 4.934 10.992 1.00 0.00 N ATOM 1023 CA LEU A 62 -0.880 4.326 11.747 1.00 0.00 C ATOM 1024 C LEU A 62 -0.788 4.694 13.225 1.00 0.00 C ATOM 1025 O LEU A 62 -1.800 4.980 13.860 1.00 0.00 O ATOM 1026 CB LEU A 62 -0.923 2.793 11.576 1.00 0.00 C ATOM 1027 CG LEU A 62 0.218 1.994 12.228 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -0.158 1.533 13.627 1.00 0.00 C ATOM 1029 CD2 LEU A 62 0.577 0.792 11.368 1.00 0.00 C ATOM 0 H LEU A 62 0.816 4.275 10.493 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.809 4.726 11.340 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.867 2.431 11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.929 2.569 10.509 1.00 0.00 H new ATOM 0 HG LEU A 62 1.083 2.653 12.307 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.670 0.971 14.060 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.373 2.401 14.251 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.041 0.896 13.575 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.386 0.235 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.295 0.146 11.263 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.898 1.132 10.383 1.00 0.00 H new ATOM 1041 N LEU A 63 0.425 4.694 13.770 1.00 0.00 N ATOM 1042 CA LEU A 63 0.622 5.037 15.178 1.00 0.00 C ATOM 1043 C LEU A 63 0.459 6.539 15.410 1.00 0.00 C ATOM 1044 O LEU A 63 -0.024 6.967 16.458 1.00 0.00 O ATOM 1045 CB LEU A 63 2.005 4.586 15.649 1.00 0.00 C ATOM 1046 CG LEU A 63 2.170 4.498 17.169 1.00 0.00 C ATOM 1047 CD1 LEU A 63 2.638 3.109 17.575 1.00 0.00 C ATOM 1048 CD2 LEU A 63 3.146 5.557 17.664 1.00 0.00 C ATOM 0 H LEU A 63 1.280 4.463 13.265 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.141 4.516 15.756 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.219 3.608 15.217 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.750 5.278 15.256 1.00 0.00 H new ATOM 0 HG LEU A 63 1.200 4.683 17.631 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.750 3.065 18.658 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.903 2.370 17.256 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.597 2.895 17.102 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.250 5.479 18.746 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.118 5.404 17.194 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.770 6.547 17.407 1.00 0.00 H new ATOM 1060 N ARG A 64 0.876 7.327 14.428 1.00 0.00 N ATOM 1061 CA ARG A 64 0.788 8.782 14.522 1.00 0.00 C ATOM 1062 C ARG A 64 -0.663 9.241 14.670 1.00 0.00 C ATOM 1063 O ARG A 64 -0.935 10.269 15.291 1.00 0.00 O ATOM 1064 CB ARG A 64 1.429 9.437 13.296 1.00 0.00 C ATOM 1065 CG ARG A 64 2.929 9.662 13.442 1.00 0.00 C ATOM 1066 CD ARG A 64 3.277 11.144 13.472 1.00 0.00 C ATOM 1067 NE ARG A 64 4.257 11.459 14.511 1.00 0.00 N ATOM 1068 CZ ARG A 64 5.552 11.156 14.429 1.00 0.00 C ATOM 1069 NH1 ARG A 64 6.028 10.530 13.360 1.00 0.00 N ATOM 1070 NH2 ARG A 64 6.373 11.480 15.419 1.00 0.00 N ATOM 0 H ARG A 64 1.279 6.985 13.556 1.00 0.00 H new ATOM 0 HA ARG A 64 1.333 9.093 15.413 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.247 8.811 12.422 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.942 10.394 13.109 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.281 9.187 14.358 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.451 9.183 12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.671 11.443 12.501 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.371 11.725 13.641 1.00 0.00 H new ATOM 0 HE ARG A 64 3.929 11.940 15.349 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.402 10.278 12.595 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.020 10.301 13.303 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.013 11.961 16.243 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.364 11.248 15.356 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.592 8.477 14.100 1.00 0.00 N ATOM 1085 CA GLU A 65 -3.011 8.818 14.178 1.00 0.00 C ATOM 1086 C GLU A 65 -3.745 7.921 15.178 1.00 0.00 C ATOM 1087 O GLU A 65 -4.816 8.275 15.671 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.659 8.710 12.793 1.00 0.00 C ATOM 1089 CG GLU A 65 -4.092 10.052 12.219 1.00 0.00 C ATOM 1090 CD GLU A 65 -2.917 10.940 11.859 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -1.851 10.398 11.496 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -3.061 12.178 11.940 1.00 0.00 O ATOM 0 H GLU A 65 -1.390 7.622 13.582 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.090 9.847 14.529 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.954 8.240 12.107 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.527 8.054 12.857 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.701 9.883 11.331 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.722 10.567 12.944 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.165 6.762 15.472 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.765 5.817 16.410 1.00 0.00 C ATOM 1101 C LEU A 66 -3.757 6.366 17.835 1.00 0.00 C ATOM 1102 O LEU A 66 -2.729 6.341 18.512 1.00 0.00 O ATOM 1103 CB LEU A 66 -3.006 4.489 16.370 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.632 3.382 15.511 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.204 3.937 14.209 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.605 2.305 15.218 1.00 0.00 C ATOM 0 H LEU A 66 -2.278 6.453 15.074 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.801 5.660 16.109 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.998 4.680 16.002 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.908 4.118 17.390 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.457 2.947 16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.639 3.124 13.627 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.975 4.674 14.435 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.408 4.410 13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.060 1.525 14.608 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.763 2.741 14.680 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.253 1.874 16.155 1.00 0.00 H new ATOM 1118 N GLY A 67 -4.908 6.846 18.291 1.00 0.00 N ATOM 1119 CA GLY A 67 -5.002 7.372 19.640 1.00 0.00 C ATOM 1120 C GLY A 67 -5.181 6.271 20.674 1.00 0.00 C ATOM 1121 O GLY A 67 -5.122 6.528 21.876 1.00 0.00 O ATOM 0 H GLY A 67 -5.774 6.881 17.754 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.101 7.941 19.870 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.841 8.065 19.700 1.00 0.00 H new ATOM 1125 N THR A 68 -5.397 5.041 20.205 1.00 0.00 N ATOM 1126 CA THR A 68 -5.580 3.897 21.095 1.00 0.00 C ATOM 1127 C THR A 68 -4.325 3.023 21.117 1.00 0.00 C ATOM 1128 O THR A 68 -3.403 3.228 20.328 1.00 0.00 O ATOM 1129 CB THR A 68 -6.819 3.067 20.705 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.482 1.996 19.842 1.00 0.00 O ATOM 1131 CG2 THR A 68 -7.907 3.874 20.026 1.00 0.00 C ATOM 0 H THR A 68 -5.449 4.813 19.212 1.00 0.00 H new ATOM 0 HA THR A 68 -5.748 4.284 22.100 1.00 0.00 H new ATOM 0 HB THR A 68 -7.201 2.695 21.656 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.709 2.248 19.294 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.745 3.222 19.782 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.245 4.665 20.696 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.514 4.317 19.111 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.299 2.068 22.044 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.165 1.149 22.222 1.00 0.00 C ATOM 1141 C ALA A 69 -2.316 1.000 20.958 1.00 0.00 C ATOM 1142 O ALA A 69 -1.135 1.347 20.951 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.670 -0.209 22.686 1.00 0.00 C ATOM 0 H ALA A 69 -5.065 1.905 22.698 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.515 1.582 22.983 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.826 -0.886 22.816 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.195 -0.097 23.635 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.351 -0.618 21.940 1.00 0.00 H new ATOM 1149 N GLY A 70 -2.920 0.483 19.894 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.196 0.304 18.648 1.00 0.00 C ATOM 1151 C GLY A 70 -1.354 -0.960 18.632 1.00 0.00 C ATOM 1152 O GLY A 70 -0.213 -0.962 19.094 1.00 0.00 O ATOM 0 H GLY A 70 -3.895 0.185 19.871 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.906 0.272 17.822 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.551 1.167 18.481 1.00 0.00 H new ATOM 1156 N ASN A 71 -1.916 -2.033 18.083 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.213 -3.308 17.990 1.00 0.00 C ATOM 1158 C ASN A 71 -1.909 -4.232 16.999 1.00 0.00 C ATOM 1159 O ASN A 71 -3.017 -3.948 16.548 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.135 -3.981 19.361 1.00 0.00 C ATOM 1161 CG ASN A 71 0.011 -3.453 20.201 1.00 0.00 C ATOM 1162 OD1 ASN A 71 1.115 -3.237 19.700 1.00 0.00 O ATOM 1163 ND2 ASN A 71 -0.246 -3.244 21.486 1.00 0.00 N ATOM 0 H ASN A 71 -2.859 -2.044 17.695 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.201 -3.111 17.637 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.073 -3.825 19.893 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.019 -5.057 19.228 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.486 -2.890 22.102 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.176 -3.437 21.858 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.259 -5.338 16.664 1.00 0.00 N ATOM 1171 CA LEU A 72 -1.828 -6.296 15.725 1.00 0.00 C ATOM 1172 C LEU A 72 -2.791 -7.243 16.435 1.00 0.00 C ATOM 1173 O LEU A 72 -2.381 -8.033 17.285 1.00 0.00 O ATOM 1174 CB LEU A 72 -0.719 -7.098 15.039 1.00 0.00 C ATOM 1175 CG LEU A 72 0.585 -6.334 14.792 1.00 0.00 C ATOM 1176 CD1 LEU A 72 1.614 -6.679 15.858 1.00 0.00 C ATOM 1177 CD2 LEU A 72 1.131 -6.641 13.404 1.00 0.00 C ATOM 0 H LEU A 72 -0.341 -5.594 17.027 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.381 -5.739 14.969 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.497 -7.974 15.648 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.095 -7.461 14.082 1.00 0.00 H new ATOM 0 HG LEU A 72 0.374 -5.266 14.849 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.535 -6.127 15.667 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.226 -6.408 16.840 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.820 -7.749 15.832 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.058 -6.089 13.247 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.326 -7.710 13.318 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.400 -6.344 12.652 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.069 -7.172 16.073 1.00 0.00 N ATOM 1190 CA GLU A 73 -5.078 -8.039 16.673 1.00 0.00 C ATOM 1191 C GLU A 73 -5.444 -9.158 15.705 1.00 0.00 C ATOM 1192 O GLU A 73 -5.274 -9.020 14.492 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.329 -7.238 17.048 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.079 -7.791 18.251 1.00 0.00 C ATOM 1195 CD GLU A 73 -6.672 -7.124 19.549 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -6.493 -5.888 19.551 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -6.533 -7.837 20.565 1.00 0.00 O ATOM 0 H GLU A 73 -4.429 -6.526 15.370 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.663 -8.473 17.583 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.040 -6.208 17.255 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.003 -7.214 16.192 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.150 -7.658 18.099 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.898 -8.863 18.326 1.00 0.00 H new ATOM 1204 N GLY A 74 -5.940 -10.265 16.244 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.316 -11.390 15.408 1.00 0.00 C ATOM 1206 C GLY A 74 -5.114 -12.091 14.802 1.00 0.00 C ATOM 1207 O GLY A 74 -4.124 -12.341 15.489 1.00 0.00 O ATOM 0 H GLY A 74 -6.089 -10.404 17.243 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.888 -12.104 16.001 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.971 -11.042 14.609 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.199 -12.413 13.513 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.101 -13.091 12.844 1.00 0.00 C ATOM 1213 C GLY A 75 -3.502 -12.269 11.718 1.00 0.00 C ATOM 1214 O GLY A 75 -2.356 -12.488 11.324 1.00 0.00 O ATOM 0 H GLY A 75 -6.006 -12.217 12.921 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.324 -13.321 13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.456 -14.041 12.445 1.00 0.00 H new ATOM 1218 N ARG A 76 -4.275 -11.321 11.198 1.00 0.00 N ATOM 1219 CA ARG A 76 -3.808 -10.465 10.116 1.00 0.00 C ATOM 1220 C ARG A 76 -3.134 -9.213 10.684 1.00 0.00 C ATOM 1221 O ARG A 76 -1.965 -9.257 11.069 1.00 0.00 O ATOM 1222 CB ARG A 76 -4.977 -10.097 9.191 1.00 0.00 C ATOM 1223 CG ARG A 76 -5.458 -11.255 8.330 1.00 0.00 C ATOM 1224 CD ARG A 76 -6.213 -12.289 9.153 1.00 0.00 C ATOM 1225 NE ARG A 76 -7.294 -12.913 8.392 1.00 0.00 N ATOM 1226 CZ ARG A 76 -7.099 -13.707 7.342 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -5.868 -13.990 6.934 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -8.138 -14.225 6.700 1.00 0.00 N ATOM 0 H ARG A 76 -5.227 -11.127 11.509 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.068 -11.006 9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.808 -9.735 9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.672 -9.275 8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.105 -10.877 7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.604 -11.728 7.845 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.519 -13.058 9.494 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.624 -11.813 10.043 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.254 -12.729 8.683 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.065 -13.598 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.725 -14.599 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.086 -14.015 7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.988 -14.834 5.895 1.00 0.00 H new ATOM 1242 N ALA A 77 -3.869 -8.106 10.754 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.327 -6.866 11.295 1.00 0.00 C ATOM 1244 C ALA A 77 -4.450 -5.909 11.674 1.00 0.00 C ATOM 1245 O ALA A 77 -4.668 -4.890 11.019 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.374 -6.218 10.300 1.00 0.00 C ATOM 0 H ALA A 77 -4.839 -8.044 10.443 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.765 -7.102 12.198 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.980 -5.294 10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.551 -6.900 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.908 -5.996 9.376 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.165 -6.245 12.740 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.264 -5.416 13.207 1.00 0.00 C ATOM 1254 C ILE A 78 -5.767 -4.393 14.221 1.00 0.00 C ATOM 1255 O ILE A 78 -5.732 -4.664 15.421 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.377 -6.266 13.848 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.721 -7.462 12.956 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.612 -5.420 14.113 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -8.154 -8.685 13.733 1.00 0.00 C ATOM 0 H ILE A 78 -5.002 -7.085 13.296 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.675 -4.901 12.338 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.013 -6.645 14.803 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.517 -7.176 12.269 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.852 -7.715 12.349 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.387 -6.039 14.566 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.356 -4.605 14.790 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.980 -5.009 13.173 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.383 -9.494 13.040 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.350 -8.995 14.401 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.042 -8.448 14.319 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.378 -3.216 13.733 1.00 0.00 N ATOM 1272 CA LEU A 79 -4.879 -2.162 14.610 1.00 0.00 C ATOM 1273 C LEU A 79 -6.033 -1.427 15.284 1.00 0.00 C ATOM 1274 O LEU A 79 -7.200 -1.697 15.003 1.00 0.00 O ATOM 1275 CB LEU A 79 -3.992 -1.182 13.835 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.686 -0.407 12.715 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.239 0.911 13.238 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.722 -0.165 11.561 1.00 0.00 C ATOM 0 H LEU A 79 -5.399 -2.971 12.743 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.272 -2.628 15.386 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.570 -0.466 14.540 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.158 -1.737 13.406 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.521 -1.004 12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.729 1.448 12.426 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.961 0.714 14.030 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.423 1.517 13.633 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.231 0.388 10.772 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.868 0.412 11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.376 -1.122 11.169 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.705 -0.512 16.188 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.726 0.235 16.909 1.00 0.00 C ATOM 1292 C GLN A 80 -6.317 1.693 17.100 1.00 0.00 C ATOM 1293 O GLN A 80 -5.321 1.988 17.762 1.00 0.00 O ATOM 1294 CB GLN A 80 -6.988 -0.431 18.261 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.461 -0.648 18.557 1.00 0.00 C ATOM 1296 CD GLN A 80 -8.835 -0.257 19.973 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -8.899 -1.101 20.866 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -9.082 1.030 20.184 1.00 0.00 N ATOM 0 H GLN A 80 -4.746 -0.271 16.438 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.642 0.227 16.319 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.475 -1.392 18.288 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.554 0.184 19.050 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.058 -0.067 17.854 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.709 -1.697 18.396 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.017 1.695 19.413 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.337 1.354 21.117 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.097 2.598 16.512 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.810 4.018 16.621 1.00 0.00 C ATOM 1309 C GLY A 81 -7.701 4.864 15.728 1.00 0.00 C ATOM 1310 O GLY A 81 -8.912 4.937 15.940 1.00 0.00 O ATOM 0 H GLY A 81 -7.925 2.371 15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.937 4.332 17.657 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.767 4.195 16.360 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.099 5.509 14.729 1.00 0.00 N ATOM 1315 CA LYS A 82 -7.846 6.360 13.805 1.00 0.00 C ATOM 1316 C LYS A 82 -7.567 5.990 12.343 1.00 0.00 C ATOM 1317 O LYS A 82 -7.949 6.723 11.430 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.499 7.832 14.046 1.00 0.00 C ATOM 1319 CG LYS A 82 -8.691 8.770 13.928 1.00 0.00 C ATOM 1320 CD LYS A 82 -8.313 10.071 13.235 1.00 0.00 C ATOM 1321 CE LYS A 82 -9.027 10.225 11.901 1.00 0.00 C ATOM 1322 NZ LYS A 82 -8.502 11.380 11.122 1.00 0.00 N ATOM 0 H LYS A 82 -6.098 5.458 14.540 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.908 6.201 13.994 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.064 7.935 15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.735 8.138 13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.488 8.278 13.370 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.084 8.987 14.921 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.562 10.913 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.235 10.099 13.076 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.910 9.311 11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -10.095 10.359 12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.014 11.452 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.636 12.256 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.488 11.241 10.935 1.00 0.00 H new ATOM 1336 N PHE A 83 -6.911 4.847 12.122 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.600 4.389 10.764 1.00 0.00 C ATOM 1338 C PHE A 83 -7.749 3.554 10.209 1.00 0.00 C ATOM 1339 O PHE A 83 -7.550 2.451 9.700 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.297 3.584 10.752 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.157 4.325 10.121 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -3.986 5.681 10.347 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.262 3.667 9.295 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -2.942 6.367 9.761 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.217 4.348 8.704 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.057 5.699 8.938 1.00 0.00 C ATOM 0 H PHE A 83 -6.586 4.224 12.862 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.468 5.264 10.127 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.030 3.320 11.775 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.458 2.650 10.214 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.677 6.207 10.989 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.383 2.610 9.111 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.817 7.424 9.946 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.526 3.825 8.060 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.239 6.234 8.477 1.00 0.00 H new ATOM 1356 N THR A 84 -8.953 4.099 10.322 1.00 0.00 N ATOM 1357 CA THR A 84 -10.160 3.435 9.852 1.00 0.00 C ATOM 1358 C THR A 84 -10.316 3.589 8.341 1.00 0.00 C ATOM 1359 O THR A 84 -11.220 4.271 7.864 1.00 0.00 O ATOM 1360 CB THR A 84 -11.363 4.033 10.571 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.429 5.430 10.350 1.00 0.00 O ATOM 1362 CG2 THR A 84 -11.330 3.805 12.067 1.00 0.00 C ATOM 0 H THR A 84 -9.120 5.013 10.742 1.00 0.00 H new ATOM 0 HA THR A 84 -10.090 2.369 10.071 1.00 0.00 H new ATOM 0 HB THR A 84 -12.236 3.527 10.160 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.480 5.607 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.213 4.254 12.523 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.320 2.734 12.272 1.00 0.00 H new ATOM 0 HG23 THR A 84 -10.433 4.262 12.485 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.409 2.958 7.602 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.399 3.023 6.142 1.00 0.00 C ATOM 1372 C HIS A 85 -9.584 4.460 5.668 1.00 0.00 C ATOM 1373 O HIS A 85 -10.213 4.718 4.642 1.00 0.00 O ATOM 1374 CB HIS A 85 -10.500 2.129 5.555 1.00 0.00 C ATOM 1375 CG HIS A 85 -11.891 2.624 5.823 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -12.366 3.829 5.350 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -12.912 2.073 6.524 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -13.612 4.001 5.747 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -13.968 2.950 6.461 1.00 0.00 N ATOM 0 H HIS A 85 -8.661 2.388 7.996 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.432 2.662 5.792 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.354 2.049 4.478 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -10.397 1.125 5.966 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -11.835 4.487 4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.898 1.122 7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -14.234 4.856 5.526 1.00 0.00 H new ATOM 1387 N PHE A 86 -8.999 5.390 6.411 1.00 0.00 N ATOM 1388 CA PHE A 86 -9.067 6.800 6.063 1.00 0.00 C ATOM 1389 C PHE A 86 -7.872 7.186 5.207 1.00 0.00 C ATOM 1390 O PHE A 86 -7.982 7.331 3.990 1.00 0.00 O ATOM 1391 CB PHE A 86 -9.124 7.665 7.324 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.507 8.159 7.644 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -11.591 7.298 7.587 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.723 9.479 8.006 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -12.864 7.742 7.885 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.995 9.930 8.304 1.00 0.00 C ATOM 1397 CZ PHE A 86 -13.067 9.060 8.244 1.00 0.00 C ATOM 0 H PHE A 86 -8.471 5.191 7.261 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.978 6.972 5.490 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.747 7.089 8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.460 8.520 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.438 6.266 7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.888 10.163 8.056 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.700 7.060 7.837 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.151 10.961 8.584 1.00 0.00 H new ATOM 0 HZ PHE A 86 -14.062 9.410 8.477 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.725 7.333 5.860 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.492 7.684 5.177 1.00 0.00 C ATOM 1409 C LEU A 87 -5.060 6.556 4.247 1.00 0.00 C ATOM 1410 O LEU A 87 -4.486 6.799 3.185 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.385 7.972 6.199 1.00 0.00 C ATOM 1412 CG LEU A 87 -4.232 9.442 6.600 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -3.868 10.292 5.392 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -5.509 9.956 7.250 1.00 0.00 C ATOM 0 H LEU A 87 -6.626 7.213 6.868 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.668 8.580 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.581 7.386 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.436 7.623 5.791 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.423 9.515 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.764 11.333 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.926 9.941 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.653 10.211 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.380 11.002 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.337 9.867 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.726 9.368 8.142 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.331 5.321 4.659 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.956 4.153 3.867 1.00 0.00 C ATOM 1428 C ILE A 88 -5.585 4.197 2.472 1.00 0.00 C ATOM 1429 O ILE A 88 -4.875 4.239 1.468 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.371 2.844 4.577 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.863 2.820 6.027 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.849 1.633 3.816 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -5.527 1.754 6.878 1.00 0.00 C ATOM 0 H ILE A 88 -5.808 5.103 5.534 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.871 4.174 3.762 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.460 2.803 4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.786 2.654 6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.034 3.796 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.151 0.721 4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.260 1.633 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.761 1.677 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.123 1.792 7.890 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.602 1.931 6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.334 0.772 6.447 1.00 0.00 H new ATOM 1445 N ASN A 89 -6.914 4.165 2.413 1.00 0.00 N ATOM 1446 CA ASN A 89 -7.620 4.178 1.131 1.00 0.00 C ATOM 1447 C ASN A 89 -7.265 5.413 0.300 1.00 0.00 C ATOM 1448 O ASN A 89 -7.097 5.322 -0.915 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.135 4.112 1.342 1.00 0.00 C ATOM 1450 CG ASN A 89 -9.858 3.476 0.168 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -9.338 2.566 -0.481 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -11.066 3.953 -0.109 1.00 0.00 N ATOM 0 H ASN A 89 -7.522 4.130 3.231 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.298 3.294 0.580 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.348 3.543 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.521 5.119 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.602 3.565 -0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.458 4.707 0.455 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.165 6.572 0.952 1.00 0.00 N ATOM 1460 CA GLU A 90 -6.842 7.820 0.256 1.00 0.00 C ATOM 1461 C GLU A 90 -5.533 7.716 -0.524 1.00 0.00 C ATOM 1462 O GLU A 90 -5.495 7.947 -1.734 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.731 8.969 1.262 1.00 0.00 C ATOM 1464 CG GLU A 90 -6.741 10.346 0.617 1.00 0.00 C ATOM 1465 CD GLU A 90 -8.132 10.791 0.214 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -8.965 9.917 -0.107 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -8.390 12.013 0.221 1.00 0.00 O ATOM 0 H GLU A 90 -7.302 6.674 1.958 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.649 8.013 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.557 8.902 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.811 8.852 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.319 11.072 1.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.098 10.336 -0.263 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.463 7.375 0.184 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.142 7.250 -0.422 1.00 0.00 C ATOM 1476 C ARG A 91 -3.112 6.161 -1.494 1.00 0.00 C ATOM 1477 O ARG A 91 -2.648 6.387 -2.614 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.109 6.953 0.662 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.340 8.178 1.124 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.034 8.332 0.365 1.00 0.00 C ATOM 1481 NE ARG A 91 -0.250 8.782 -1.009 1.00 0.00 N ATOM 1482 CZ ARG A 91 0.294 8.207 -2.080 1.00 0.00 C ATOM 1483 NH1 ARG A 91 1.096 7.156 -1.950 1.00 0.00 N ATOM 1484 NH2 ARG A 91 0.035 8.688 -3.288 1.00 0.00 N ATOM 0 H ARG A 91 -4.485 7.179 1.185 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.901 8.195 -0.910 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.613 6.507 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.403 6.212 0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.952 9.069 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.135 8.099 2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.605 9.046 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.495 7.379 0.356 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.857 9.589 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.300 6.782 -1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.507 6.723 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.579 9.496 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.450 8.251 -4.111 1.00 0.00 H new ATOM 1498 N ILE A 92 -3.609 4.977 -1.154 1.00 0.00 N ATOM 1499 CA ILE A 92 -3.626 3.871 -2.106 1.00 0.00 C ATOM 1500 C ILE A 92 -4.397 4.248 -3.370 1.00 0.00 C ATOM 1501 O ILE A 92 -3.866 4.178 -4.478 1.00 0.00 O ATOM 1502 CB ILE A 92 -4.259 2.602 -1.506 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.391 2.068 -0.373 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -4.441 1.540 -2.584 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -4.032 0.938 0.399 1.00 0.00 C ATOM 0 H ILE A 92 -4.001 4.759 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.585 3.663 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.240 2.856 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.442 1.723 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.163 2.883 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.889 0.649 -2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.093 1.925 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.471 1.285 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.357 0.609 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.967 1.283 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.235 0.106 -0.275 1.00 0.00 H new ATOM 1517 N GLU A 93 -5.651 4.656 -3.191 1.00 0.00 N ATOM 1518 CA GLU A 93 -6.499 5.051 -4.311 1.00 0.00 C ATOM 1519 C GLU A 93 -5.811 6.115 -5.163 1.00 0.00 C ATOM 1520 O GLU A 93 -6.080 6.239 -6.360 1.00 0.00 O ATOM 1521 CB GLU A 93 -7.847 5.563 -3.795 1.00 0.00 C ATOM 1522 CG GLU A 93 -8.645 4.506 -3.047 1.00 0.00 C ATOM 1523 CD GLU A 93 -9.891 4.069 -3.793 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -9.953 4.283 -5.022 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -10.804 3.512 -3.148 1.00 0.00 O ATOM 0 H GLU A 93 -6.102 4.722 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.673 4.177 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.676 6.414 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.437 5.925 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.011 3.637 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.931 4.897 -2.071 1.00 0.00 H new ATOM 1532 N ASP A 94 -4.912 6.868 -4.540 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.171 7.907 -5.237 1.00 0.00 C ATOM 1534 C ASP A 94 -3.229 7.291 -6.266 1.00 0.00 C ATOM 1535 O ASP A 94 -3.122 7.777 -7.392 1.00 0.00 O ATOM 1536 CB ASP A 94 -3.374 8.745 -4.236 1.00 0.00 C ATOM 1537 CG ASP A 94 -2.764 9.983 -4.864 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -1.723 9.853 -5.541 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -3.324 11.083 -4.674 1.00 0.00 O ATOM 0 H ASP A 94 -4.680 6.776 -3.551 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.881 8.551 -5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.028 9.043 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.581 8.133 -3.806 1.00 0.00 H new ATOM 1544 N TYR A 95 -2.542 6.220 -5.871 1.00 0.00 N ATOM 1545 CA TYR A 95 -1.606 5.544 -6.767 1.00 0.00 C ATOM 1546 C TYR A 95 -2.301 4.492 -7.633 1.00 0.00 C ATOM 1547 O TYR A 95 -2.261 4.571 -8.860 1.00 0.00 O ATOM 1548 CB TYR A 95 -0.467 4.897 -5.974 1.00 0.00 C ATOM 1549 CG TYR A 95 0.487 4.098 -6.838 1.00 0.00 C ATOM 1550 CD1 TYR A 95 1.278 4.725 -7.793 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.589 2.719 -6.704 1.00 0.00 C ATOM 1552 CE1 TYR A 95 2.144 4.000 -8.591 1.00 0.00 C ATOM 1553 CE2 TYR A 95 1.454 1.987 -7.497 1.00 0.00 C ATOM 1554 CZ TYR A 95 2.228 2.632 -8.439 1.00 0.00 C ATOM 1555 OH TYR A 95 3.089 1.908 -9.232 1.00 0.00 O ATOM 0 H TYR A 95 -2.615 5.804 -4.943 1.00 0.00 H new ATOM 0 HA TYR A 95 -1.194 6.305 -7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.091 5.675 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.890 4.243 -5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 95 1.215 5.796 -7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -0.017 2.210 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.751 4.503 -9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.523 0.916 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 95 3.029 0.958 -8.998 1.00 0.00 H new ATOM 1565 N VAL A 96 -2.925 3.498 -6.997 1.00 0.00 N ATOM 1566 CA VAL A 96 -3.603 2.437 -7.738 1.00 0.00 C ATOM 1567 C VAL A 96 -4.564 3.016 -8.774 1.00 0.00 C ATOM 1568 O VAL A 96 -4.594 2.570 -9.920 1.00 0.00 O ATOM 1569 CB VAL A 96 -4.362 1.461 -6.807 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -3.387 0.646 -5.967 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -5.343 2.202 -5.911 1.00 0.00 C ATOM 0 H VAL A 96 -2.974 3.407 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.823 1.873 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.931 0.778 -7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.943 -0.033 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.735 0.070 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.784 1.317 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.860 1.489 -5.269 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -4.802 2.919 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.071 2.730 -6.527 1.00 0.00 H new ATOM 1581 N ASN A 97 -5.332 4.025 -8.374 1.00 0.00 N ATOM 1582 CA ASN A 97 -6.270 4.674 -9.280 1.00 0.00 C ATOM 1583 C ASN A 97 -5.809 6.096 -9.597 1.00 0.00 C ATOM 1584 O ASN A 97 -6.586 7.045 -9.498 1.00 0.00 O ATOM 1585 CB ASN A 97 -7.677 4.692 -8.677 1.00 0.00 C ATOM 1586 CG ASN A 97 -8.522 3.525 -9.152 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -8.315 2.999 -10.245 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -9.484 3.114 -8.332 1.00 0.00 N ATOM 0 H ASN A 97 -5.322 4.410 -7.429 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.300 4.104 -10.208 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.604 4.666 -7.590 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.171 5.627 -8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.084 2.334 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.622 3.578 -7.434 1.00 0.00 H new ATOM 1595 N LYS A 98 -4.545 6.238 -9.986 1.00 0.00 N ATOM 1596 CA LYS A 98 -3.998 7.548 -10.326 1.00 0.00 C ATOM 1597 C LYS A 98 -4.372 7.955 -11.746 1.00 0.00 C ATOM 1598 O LYS A 98 -4.154 9.094 -12.148 1.00 0.00 O ATOM 1599 CB LYS A 98 -2.478 7.559 -10.184 1.00 0.00 C ATOM 1600 CG LYS A 98 -1.898 8.964 -10.184 1.00 0.00 C ATOM 1601 CD LYS A 98 -0.609 9.045 -9.383 1.00 0.00 C ATOM 1602 CE LYS A 98 0.463 9.818 -10.133 1.00 0.00 C ATOM 1603 NZ LYS A 98 1.178 8.959 -11.115 1.00 0.00 N ATOM 0 H LYS A 98 -3.883 5.467 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.430 8.265 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.200 7.056 -9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.037 6.988 -11.001 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.708 9.278 -11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.628 9.658 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.804 9.527 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.250 8.039 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.007 10.661 -10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.179 10.230 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.901 9.522 -11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.634 8.168 -10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.499 8.586 -11.809 1.00 0.00 H new ATOM 1617 N PHE A 99 -4.928 7.024 -12.509 1.00 0.00 N ATOM 1618 CA PHE A 99 -5.313 7.309 -13.884 1.00 0.00 C ATOM 1619 C PHE A 99 -6.614 8.106 -13.952 1.00 0.00 C ATOM 1620 O PHE A 99 -6.681 9.142 -14.614 1.00 0.00 O ATOM 1621 CB PHE A 99 -5.453 6.008 -14.675 1.00 0.00 C ATOM 1622 CG PHE A 99 -4.136 5.346 -14.959 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -3.106 6.057 -15.552 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -3.927 4.018 -14.629 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -1.889 5.455 -15.810 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -2.713 3.409 -14.885 1.00 0.00 C ATOM 1627 CZ PHE A 99 -1.693 4.129 -15.476 1.00 0.00 C ATOM 0 H PHE A 99 -5.122 6.071 -12.202 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.525 7.918 -14.328 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.087 5.318 -14.118 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.959 6.216 -15.618 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.255 7.094 -15.816 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.722 3.451 -14.166 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.093 6.020 -16.272 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.562 2.372 -14.623 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.743 3.656 -15.677 1.00 0.00 H new ATOM 1637 N VAL A 100 -7.649 7.612 -13.279 1.00 0.00 N ATOM 1638 CA VAL A 100 -8.949 8.277 -13.284 1.00 0.00 C ATOM 1639 C VAL A 100 -8.991 9.473 -12.332 1.00 0.00 C ATOM 1640 O VAL A 100 -9.844 10.351 -12.470 1.00 0.00 O ATOM 1641 CB VAL A 100 -10.082 7.298 -12.922 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -9.897 6.751 -11.515 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -11.437 7.976 -13.068 1.00 0.00 C ATOM 0 H VAL A 100 -7.614 6.756 -12.725 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.099 8.641 -14.300 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.043 6.457 -13.615 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.709 6.062 -11.283 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.945 6.224 -11.452 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.904 7.574 -10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.227 7.271 -12.809 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.487 8.837 -12.402 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.570 8.306 -14.098 1.00 0.00 H new ATOM 1653 N ILE A 101 -8.073 9.513 -11.373 1.00 0.00 N ATOM 1654 CA ILE A 101 -8.025 10.616 -10.420 1.00 0.00 C ATOM 1655 C ILE A 101 -7.060 11.705 -10.897 1.00 0.00 C ATOM 1656 O ILE A 101 -7.377 12.893 -10.836 1.00 0.00 O ATOM 1657 CB ILE A 101 -7.609 10.131 -9.015 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -7.885 11.211 -7.965 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -6.144 9.739 -9.009 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -7.671 10.740 -6.540 1.00 0.00 C ATOM 0 H ILE A 101 -7.357 8.800 -11.235 1.00 0.00 H new ATOM 0 HA ILE A 101 -9.030 11.033 -10.357 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.204 9.254 -8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -7.238 12.067 -8.157 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.913 11.558 -8.074 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.863 9.399 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.979 8.935 -9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.536 10.601 -9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.885 11.557 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.337 9.904 -6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.637 10.420 -6.414 1.00 0.00 H new ATOM 1672 N CYS A 102 -5.889 11.293 -11.388 1.00 0.00 N ATOM 1673 CA CYS A 102 -4.895 12.243 -11.887 1.00 0.00 C ATOM 1674 C CYS A 102 -5.202 12.675 -13.328 1.00 0.00 C ATOM 1675 O CYS A 102 -4.531 13.552 -13.876 1.00 0.00 O ATOM 1676 CB CYS A 102 -3.486 11.650 -11.825 1.00 0.00 C ATOM 1677 SG CYS A 102 -2.167 12.887 -11.869 1.00 0.00 S ATOM 0 H CYS A 102 -5.608 10.314 -11.450 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.943 13.120 -11.241 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.390 11.063 -10.912 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -3.354 10.963 -12.661 1.00 0.00 H new ATOM 0 HG CYS A 102 -2.576 13.935 -12.521 1.00 0.00 H new ATOM 1682 N HIS A 103 -6.213 12.053 -13.937 1.00 0.00 N ATOM 1683 CA HIS A 103 -6.607 12.368 -15.311 1.00 0.00 C ATOM 1684 C HIS A 103 -5.534 11.947 -16.314 1.00 0.00 C ATOM 1685 O HIS A 103 -5.103 12.741 -17.151 1.00 0.00 O ATOM 1686 CB HIS A 103 -6.908 13.863 -15.456 1.00 0.00 C ATOM 1687 CG HIS A 103 -8.352 14.200 -15.247 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -9.261 14.290 -16.279 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -9.046 14.465 -14.115 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -10.451 14.596 -15.794 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -10.348 14.707 -14.483 1.00 0.00 N ATOM 0 H HIS A 103 -6.776 11.325 -13.498 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.512 11.801 -15.530 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.305 14.419 -14.738 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.605 14.193 -16.450 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.650 14.483 -13.110 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.354 14.732 -16.371 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.111 14.935 -13.846 1.00 0.00 H new ATOM 1699 N GLU A 104 -5.115 10.686 -16.229 1.00 0.00 N ATOM 1700 CA GLU A 104 -4.102 10.141 -17.133 1.00 0.00 C ATOM 1701 C GLU A 104 -2.933 11.104 -17.318 1.00 0.00 C ATOM 1702 O GLU A 104 -2.806 11.750 -18.359 1.00 0.00 O ATOM 1703 CB GLU A 104 -4.726 9.816 -18.492 1.00 0.00 C ATOM 1704 CG GLU A 104 -3.862 8.911 -19.357 1.00 0.00 C ATOM 1705 CD GLU A 104 -4.231 8.980 -20.826 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -4.022 10.047 -21.441 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -4.730 7.968 -21.361 1.00 0.00 O ATOM 0 H GLU A 104 -5.463 10.019 -15.540 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.716 9.227 -16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.693 9.339 -18.334 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.914 10.746 -19.028 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.815 9.190 -19.236 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.959 7.882 -19.010 1.00 0.00 H new ATOM 1714 N CYS A 105 -2.081 11.190 -16.304 1.00 0.00 N ATOM 1715 CA CYS A 105 -0.919 12.068 -16.352 1.00 0.00 C ATOM 1716 C CYS A 105 0.166 11.487 -17.258 1.00 0.00 C ATOM 1717 O CYS A 105 1.286 11.232 -16.815 1.00 0.00 O ATOM 1718 CB CYS A 105 -0.361 12.275 -14.943 1.00 0.00 C ATOM 1719 SG CYS A 105 0.238 13.950 -14.621 1.00 0.00 S ATOM 0 H CYS A 105 -2.173 10.661 -15.437 1.00 0.00 H new ATOM 0 HA CYS A 105 -1.233 13.028 -16.761 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -1.138 12.034 -14.218 1.00 0.00 H new ATOM 0 HB3 CYS A 105 0.456 11.572 -14.781 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.760 14.709 -14.277 1.00 0.00 H new ATOM 1724 N ASN A 106 -0.163 11.291 -18.533 1.00 0.00 N ATOM 1725 CA ASN A 106 0.795 10.757 -19.492 1.00 0.00 C ATOM 1726 C ASN A 106 1.853 11.813 -19.839 1.00 0.00 C ATOM 1727 O ASN A 106 2.853 11.942 -19.135 1.00 0.00 O ATOM 1728 CB ASN A 106 0.063 10.268 -20.748 1.00 0.00 C ATOM 1729 CG ASN A 106 1.000 9.659 -21.772 1.00 0.00 C ATOM 1730 OD1 ASN A 106 0.921 9.964 -22.962 1.00 0.00 O ATOM 1731 ND2 ASN A 106 1.890 8.787 -21.314 1.00 0.00 N ATOM 0 H ASN A 106 -1.083 11.494 -18.923 1.00 0.00 H new ATOM 0 HA ASN A 106 1.310 9.907 -19.045 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -0.686 9.529 -20.462 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -0.470 11.104 -21.201 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.544 8.340 -21.957 1.00 0.00 H new ATOM 0 HD22 ASN A 106 1.920 8.564 -20.319 1.00 0.00 H new ATOM 1738 N ARG A 107 1.624 12.576 -20.911 1.00 0.00 N ATOM 1739 CA ARG A 107 2.563 13.625 -21.319 1.00 0.00 C ATOM 1740 C ARG A 107 2.032 15.038 -21.023 1.00 0.00 C ATOM 1741 O ARG A 107 1.874 15.841 -21.944 1.00 0.00 O ATOM 1742 CB ARG A 107 2.885 13.504 -22.811 1.00 0.00 C ATOM 1743 CG ARG A 107 2.955 12.072 -23.315 1.00 0.00 C ATOM 1744 CD ARG A 107 3.927 11.935 -24.477 1.00 0.00 C ATOM 1745 NE ARG A 107 3.232 11.823 -25.757 1.00 0.00 N ATOM 1746 CZ ARG A 107 3.716 11.171 -26.812 1.00 0.00 C ATOM 1747 NH1 ARG A 107 4.909 10.588 -26.756 1.00 0.00 N ATOM 1748 NH2 ARG A 107 3.007 11.105 -27.931 1.00 0.00 N ATOM 0 H ARG A 107 0.802 12.488 -21.509 1.00 0.00 H new ATOM 0 HA ARG A 107 3.469 13.480 -20.731 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.127 14.042 -23.380 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.839 13.994 -23.007 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.263 11.414 -22.502 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.963 11.747 -23.629 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.591 12.799 -24.499 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.553 11.056 -24.325 1.00 0.00 H new ATOM 0 HE ARG A 107 2.320 12.272 -25.848 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.461 10.638 -25.900 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.272 10.090 -27.569 1.00 0.00 H new ATOM 0 HH21 ARG A 107 2.092 11.553 -27.982 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.376 10.606 -28.740 1.00 0.00 H new ATOM 1762 N PRO A 108 1.752 15.380 -19.749 1.00 0.00 N ATOM 1763 CA PRO A 108 1.251 16.714 -19.397 1.00 0.00 C ATOM 1764 C PRO A 108 2.127 17.830 -19.963 1.00 0.00 C ATOM 1765 O PRO A 108 3.346 17.820 -19.788 1.00 0.00 O ATOM 1766 CB PRO A 108 1.311 16.734 -17.867 1.00 0.00 C ATOM 1767 CG PRO A 108 1.256 15.305 -17.456 1.00 0.00 C ATOM 1768 CD PRO A 108 1.900 14.514 -18.566 1.00 0.00 C ATOM 0 HA PRO A 108 0.254 16.887 -19.803 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.226 17.210 -17.515 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.477 17.297 -17.447 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.783 15.152 -16.514 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.226 14.986 -17.300 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.948 14.305 -18.352 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.407 13.553 -18.710 1.00 0.00 H new ATOM 1776 N ASP A 109 1.500 18.801 -20.624 1.00 0.00 N ATOM 1777 CA ASP A 109 2.229 19.932 -21.197 1.00 0.00 C ATOM 1778 C ASP A 109 2.507 20.981 -20.123 1.00 0.00 C ATOM 1779 O ASP A 109 2.284 22.175 -20.325 1.00 0.00 O ATOM 1780 CB ASP A 109 1.433 20.554 -22.348 1.00 0.00 C ATOM 1781 CG ASP A 109 1.072 19.540 -23.415 1.00 0.00 C ATOM 1782 OD1 ASP A 109 1.986 18.846 -23.907 1.00 0.00 O ATOM 1783 OD2 ASP A 109 -0.125 19.438 -23.758 1.00 0.00 O ATOM 0 H ASP A 109 0.492 18.828 -20.776 1.00 0.00 H new ATOM 0 HA ASP A 109 3.179 19.568 -21.588 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.521 21.003 -21.954 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.016 21.358 -22.797 1.00 0.00 H new ATOM 1788 N THR A 110 2.985 20.517 -18.971 1.00 0.00 N ATOM 1789 CA THR A 110 3.288 21.383 -17.842 1.00 0.00 C ATOM 1790 C THR A 110 4.542 20.894 -17.123 1.00 0.00 C ATOM 1791 O THR A 110 5.127 19.880 -17.504 1.00 0.00 O ATOM 1792 CB THR A 110 2.108 21.445 -16.872 1.00 0.00 C ATOM 1793 OG1 THR A 110 0.975 20.789 -17.415 1.00 0.00 O ATOM 1794 CG2 THR A 110 1.699 22.862 -16.529 1.00 0.00 C ATOM 0 H THR A 110 3.172 19.530 -18.797 1.00 0.00 H new ATOM 0 HA THR A 110 3.470 22.389 -18.221 1.00 0.00 H new ATOM 0 HB THR A 110 2.450 20.949 -15.964 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.290 21.452 -17.640 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.857 22.840 -15.837 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.538 23.380 -16.064 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.408 23.387 -17.439 1.00 0.00 H new ATOM 1802 N ARG A 111 4.959 21.620 -16.093 1.00 0.00 N ATOM 1803 CA ARG A 111 6.153 21.248 -15.346 1.00 0.00 C ATOM 1804 C ARG A 111 5.804 20.277 -14.223 1.00 0.00 C ATOM 1805 O ARG A 111 5.270 20.668 -13.185 1.00 0.00 O ATOM 1806 CB ARG A 111 6.821 22.494 -14.762 1.00 0.00 C ATOM 1807 CG ARG A 111 7.400 23.422 -15.814 1.00 0.00 C ATOM 1808 CD ARG A 111 8.615 24.165 -15.286 1.00 0.00 C ATOM 1809 NE ARG A 111 8.774 25.473 -15.913 1.00 0.00 N ATOM 1810 CZ ARG A 111 9.169 25.649 -17.170 1.00 0.00 C ATOM 1811 NH1 ARG A 111 9.430 24.602 -17.944 1.00 0.00 N ATOM 1812 NH2 ARG A 111 9.300 26.875 -17.657 1.00 0.00 N ATOM 0 H ARG A 111 4.492 22.463 -15.758 1.00 0.00 H new ATOM 0 HA ARG A 111 6.845 20.758 -16.031 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.091 23.043 -14.168 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.617 22.186 -14.084 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.678 22.846 -16.696 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.641 24.139 -16.128 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.523 24.290 -14.207 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.510 23.568 -15.462 1.00 0.00 H new ATOM 0 HE ARG A 111 8.570 26.301 -15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.328 23.657 -17.575 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.733 24.743 -18.908 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.098 27.682 -17.067 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.603 27.011 -18.621 1.00 0.00 H new ATOM 1826 N ILE A 112 6.115 19.003 -14.449 1.00 0.00 N ATOM 1827 CA ILE A 112 5.844 17.955 -13.472 1.00 0.00 C ATOM 1828 C ILE A 112 7.135 17.475 -12.819 1.00 0.00 C ATOM 1829 O ILE A 112 8.177 17.384 -13.469 1.00 0.00 O ATOM 1830 CB ILE A 112 5.124 16.740 -14.110 1.00 0.00 C ATOM 1831 CG1 ILE A 112 5.264 16.756 -15.637 1.00 0.00 C ATOM 1832 CG2 ILE A 112 3.655 16.719 -13.709 1.00 0.00 C ATOM 1833 CD1 ILE A 112 4.771 15.491 -16.304 1.00 0.00 C ATOM 0 H ILE A 112 6.558 18.671 -15.306 1.00 0.00 H new ATOM 0 HA ILE A 112 5.189 18.393 -12.719 1.00 0.00 H new ATOM 0 HB ILE A 112 5.599 15.833 -13.737 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.710 17.606 -16.035 1.00 0.00 H new ATOM 0 HG13 ILE A 112 6.312 16.909 -15.896 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.165 15.859 -14.166 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.575 16.648 -12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.172 17.635 -14.049 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.901 15.574 -17.383 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.341 14.639 -15.934 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.715 15.347 -16.076 1.00 0.00 H new ATOM 1845 N ILE A 113 7.059 17.167 -11.532 1.00 0.00 N ATOM 1846 CA ILE A 113 8.220 16.693 -10.791 1.00 0.00 C ATOM 1847 C ILE A 113 7.823 15.571 -9.838 1.00 0.00 C ATOM 1848 O ILE A 113 6.798 15.655 -9.162 1.00 0.00 O ATOM 1849 CB ILE A 113 8.881 17.839 -9.992 1.00 0.00 C ATOM 1850 CG1 ILE A 113 9.343 18.949 -10.940 1.00 0.00 C ATOM 1851 CG2 ILE A 113 10.053 17.323 -9.167 1.00 0.00 C ATOM 1852 CD1 ILE A 113 10.457 18.525 -11.874 1.00 0.00 C ATOM 0 H ILE A 113 6.205 17.237 -10.979 1.00 0.00 H new ATOM 0 HA ILE A 113 8.941 16.314 -11.516 1.00 0.00 H new ATOM 0 HB ILE A 113 8.139 18.249 -9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.493 19.287 -11.532 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.679 19.802 -10.351 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.501 18.149 -8.614 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.700 16.567 -8.466 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.799 16.883 -9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.732 19.362 -12.516 1.00 0.00 H new ATOM 0 HD12 ILE A 113 11.324 18.215 -11.290 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.118 17.692 -12.490 1.00 0.00 H new ATOM 1864 N ARG A 114 8.636 14.518 -9.795 1.00 0.00 N ATOM 1865 CA ARG A 114 8.363 13.377 -8.926 1.00 0.00 C ATOM 1866 C ARG A 114 9.588 13.018 -8.091 1.00 0.00 C ATOM 1867 O ARG A 114 10.681 12.828 -8.625 1.00 0.00 O ATOM 1868 CB ARG A 114 7.926 12.166 -9.755 1.00 0.00 C ATOM 1869 CG ARG A 114 6.831 11.348 -9.089 1.00 0.00 C ATOM 1870 CD ARG A 114 6.690 9.973 -9.718 1.00 0.00 C ATOM 1871 NE ARG A 114 6.502 10.046 -11.164 1.00 0.00 N ATOM 1872 CZ ARG A 114 7.371 9.579 -12.056 1.00 0.00 C ATOM 1873 NH1 ARG A 114 8.520 9.038 -11.664 1.00 0.00 N ATOM 1874 NH2 ARG A 114 7.093 9.666 -13.349 1.00 0.00 N ATOM 0 H ARG A 114 9.487 14.432 -10.350 1.00 0.00 H new ATOM 0 HA ARG A 114 7.555 13.658 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.574 12.508 -10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 114 8.790 11.526 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 114 7.053 11.241 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.883 11.881 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 114 7.579 9.382 -9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.843 9.455 -9.269 1.00 0.00 H new ATOM 0 HE ARG A 114 5.649 10.483 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.743 8.978 -10.670 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.179 8.683 -12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.217 10.089 -13.655 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.755 9.310 -14.038 1.00 0.00 H new ATOM 1888 N GLU A 115 9.403 12.942 -6.776 1.00 0.00 N ATOM 1889 CA GLU A 115 10.497 12.623 -5.863 1.00 0.00 C ATOM 1890 C GLU A 115 10.093 11.528 -4.877 1.00 0.00 C ATOM 1891 O GLU A 115 8.946 11.470 -4.436 1.00 0.00 O ATOM 1892 CB GLU A 115 10.900 13.879 -5.097 1.00 0.00 C ATOM 1893 CG GLU A 115 9.725 14.568 -4.425 1.00 0.00 C ATOM 1894 CD GLU A 115 9.226 15.769 -5.204 1.00 0.00 C ATOM 1895 OE1 GLU A 115 8.946 15.619 -6.413 1.00 0.00 O ATOM 1896 OE2 GLU A 115 9.113 16.859 -4.606 1.00 0.00 O ATOM 0 H GLU A 115 8.505 13.097 -6.318 1.00 0.00 H new ATOM 0 HA GLU A 115 11.339 12.257 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.640 13.615 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 115 11.380 14.577 -5.783 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.910 13.854 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.019 14.886 -3.425 1.00 0.00 H new ATOM 1903 N GLY A 116 11.045 10.666 -4.526 1.00 0.00 N ATOM 1904 CA GLY A 116 10.764 9.593 -3.587 1.00 0.00 C ATOM 1905 C GLY A 116 10.469 8.272 -4.272 1.00 0.00 C ATOM 1906 O GLY A 116 9.920 7.357 -3.657 1.00 0.00 O ATOM 0 H GLY A 116 12.003 10.691 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 116 11.617 9.468 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.912 9.873 -2.967 1.00 0.00 H new ATOM 1910 N ARG A 117 10.830 8.168 -5.548 1.00 0.00 N ATOM 1911 CA ARG A 117 10.593 6.948 -6.310 1.00 0.00 C ATOM 1912 C ARG A 117 9.099 6.687 -6.454 1.00 0.00 C ATOM 1913 O ARG A 117 8.558 5.754 -5.861 1.00 0.00 O ATOM 1914 CB ARG A 117 11.270 5.753 -5.634 1.00 0.00 C ATOM 1915 CG ARG A 117 12.669 6.056 -5.120 1.00 0.00 C ATOM 1916 CD ARG A 117 13.657 6.250 -6.261 1.00 0.00 C ATOM 1917 NE ARG A 117 14.214 7.601 -6.286 1.00 0.00 N ATOM 1918 CZ ARG A 117 15.262 7.989 -5.560 1.00 0.00 C ATOM 1919 NH1 ARG A 117 15.865 7.136 -4.740 1.00 0.00 N ATOM 1920 NH2 ARG A 117 15.705 9.235 -5.652 1.00 0.00 N ATOM 0 H ARG A 117 11.287 8.913 -6.074 1.00 0.00 H new ATOM 0 HA ARG A 117 11.022 7.079 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 117 10.651 5.418 -4.802 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.324 4.927 -6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 117 12.644 6.955 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 117 13.007 5.240 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 117 14.467 5.527 -6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 117 13.159 6.047 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 117 13.774 8.289 -6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 117 15.527 6.177 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG A 117 16.667 7.440 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 117 15.244 9.895 -6.278 1.00 0.00 H new ATOM 0 HH22 ARG A 117 16.507 9.533 -5.097 1.00 0.00 H new ATOM 1934 N ILE A 118 8.439 7.524 -7.246 1.00 0.00 N ATOM 1935 CA ILE A 118 7.007 7.393 -7.474 1.00 0.00 C ATOM 1936 C ILE A 118 6.235 7.416 -6.158 1.00 0.00 C ATOM 1937 O ILE A 118 5.418 6.537 -5.886 1.00 0.00 O ATOM 1938 CB ILE A 118 6.683 6.100 -8.248 1.00 0.00 C ATOM 1939 CG1 ILE A 118 7.520 6.038 -9.527 1.00 0.00 C ATOM 1940 CG2 ILE A 118 5.198 6.027 -8.577 1.00 0.00 C ATOM 1941 CD1 ILE A 118 7.935 4.636 -9.914 1.00 0.00 C ATOM 0 H ILE A 118 8.875 8.302 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 118 6.696 8.247 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 118 6.932 5.244 -7.621 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.950 6.478 -10.345 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.413 6.649 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.991 5.107 -9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 118 4.620 6.038 -7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.919 6.884 -9.190 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.525 4.671 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 118 8.533 4.199 -9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.047 4.026 -10.078 1.00 0.00 H new ATOM 1953 N SER A 119 6.504 8.435 -5.345 1.00 0.00 N ATOM 1954 CA SER A 119 5.840 8.586 -4.055 1.00 0.00 C ATOM 1955 C SER A 119 5.226 9.979 -3.910 1.00 0.00 C ATOM 1956 O SER A 119 4.140 10.132 -3.352 1.00 0.00 O ATOM 1957 CB SER A 119 6.833 8.331 -2.917 1.00 0.00 C ATOM 1958 OG SER A 119 6.564 7.100 -2.269 1.00 0.00 O ATOM 0 H SER A 119 7.179 9.169 -5.559 1.00 0.00 H new ATOM 0 HA SER A 119 5.036 7.852 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.849 8.323 -3.312 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.779 9.145 -2.194 1.00 0.00 H new ATOM 0 HG SER A 119 7.213 6.961 -1.548 1.00 0.00 H new ATOM 1964 N LEU A 120 5.931 10.993 -4.409 1.00 0.00 N ATOM 1965 CA LEU A 120 5.458 12.373 -4.327 1.00 0.00 C ATOM 1966 C LEU A 120 5.641 13.093 -5.664 1.00 0.00 C ATOM 1967 O LEU A 120 6.449 12.675 -6.493 1.00 0.00 O ATOM 1968 CB LEU A 120 6.217 13.121 -3.228 1.00 0.00 C ATOM 1969 CG LEU A 120 6.422 12.335 -1.929 1.00 0.00 C ATOM 1970 CD1 LEU A 120 7.845 12.499 -1.419 1.00 0.00 C ATOM 1971 CD2 LEU A 120 5.426 12.784 -0.872 1.00 0.00 C ATOM 0 H LEU A 120 6.832 10.884 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 120 4.395 12.356 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.193 13.412 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.678 14.040 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 120 6.253 11.279 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.968 11.933 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.545 12.129 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.043 13.553 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.586 12.215 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.565 13.846 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.411 12.613 -1.232 1.00 0.00 H new ATOM 1983 N LEU A 121 4.886 14.173 -5.874 1.00 0.00 N ATOM 1984 CA LEU A 121 4.976 14.938 -7.120 1.00 0.00 C ATOM 1985 C LEU A 121 3.982 16.097 -7.139 1.00 0.00 C ATOM 1986 O LEU A 121 3.140 16.216 -6.251 1.00 0.00 O ATOM 1987 CB LEU A 121 4.714 14.032 -8.324 1.00 0.00 C ATOM 1988 CG LEU A 121 3.414 13.223 -8.255 1.00 0.00 C ATOM 1989 CD1 LEU A 121 2.849 12.985 -9.648 1.00 0.00 C ATOM 1990 CD2 LEU A 121 3.645 11.899 -7.540 1.00 0.00 C ATOM 0 H LEU A 121 4.210 14.536 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 121 5.986 15.344 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.695 14.646 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.550 13.340 -8.428 1.00 0.00 H new ATOM 0 HG LEU A 121 2.685 13.801 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.927 12.409 -9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.641 13.943 -10.125 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.574 12.432 -10.245 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.711 11.339 -7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 121 4.393 11.319 -8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 121 3.996 12.090 -6.526 1.00 0.00 H new ATOM 2002 N LYS A 122 4.097 16.954 -8.160 1.00 0.00 N ATOM 2003 CA LYS A 122 3.215 18.111 -8.308 1.00 0.00 C ATOM 2004 C LYS A 122 2.403 18.019 -9.600 1.00 0.00 C ATOM 2005 O LYS A 122 2.909 17.569 -10.629 1.00 0.00 O ATOM 2006 CB LYS A 122 4.030 19.404 -8.308 1.00 0.00 C ATOM 2007 CG LYS A 122 3.293 20.585 -7.697 1.00 0.00 C ATOM 2008 CD LYS A 122 4.164 21.321 -6.695 1.00 0.00 C ATOM 2009 CE LYS A 122 5.111 22.287 -7.387 1.00 0.00 C ATOM 2010 NZ LYS A 122 4.586 23.681 -7.385 1.00 0.00 N ATOM 0 H LYS A 122 4.796 16.865 -8.897 1.00 0.00 H new ATOM 0 HA LYS A 122 2.527 18.117 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.957 19.240 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.307 19.650 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.984 21.271 -8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.386 20.235 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.533 21.867 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.738 20.601 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.080 22.264 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.273 21.962 -8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.262 24.307 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.673 23.709 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.455 24.001 -6.404 1.00 0.00 H new ATOM 2024 N CYS A 123 1.143 18.456 -9.542 1.00 0.00 N ATOM 2025 CA CYS A 123 0.266 18.430 -10.710 1.00 0.00 C ATOM 2026 C CYS A 123 -0.642 19.656 -10.741 1.00 0.00 C ATOM 2027 O CYS A 123 -1.851 19.543 -10.945 1.00 0.00 O ATOM 2028 CB CYS A 123 -0.581 17.156 -10.717 1.00 0.00 C ATOM 2029 SG CYS A 123 0.315 15.684 -11.264 1.00 0.00 S ATOM 0 H CYS A 123 0.709 18.831 -8.699 1.00 0.00 H new ATOM 0 HA CYS A 123 0.896 18.443 -11.600 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -0.967 16.982 -9.712 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -1.442 17.308 -11.367 1.00 0.00 H new ATOM 0 HG CYS A 123 -0.527 14.716 -11.474 1.00 0.00 H new ATOM 2034 N GLU A 124 -0.052 20.830 -10.540 1.00 0.00 N ATOM 2035 CA GLU A 124 -0.810 22.077 -10.548 1.00 0.00 C ATOM 2036 C GLU A 124 -1.641 22.207 -11.826 1.00 0.00 C ATOM 2037 O GLU A 124 -2.658 22.900 -11.847 1.00 0.00 O ATOM 2038 CB GLU A 124 0.132 23.277 -10.403 1.00 0.00 C ATOM 2039 CG GLU A 124 0.752 23.402 -9.019 1.00 0.00 C ATOM 2040 CD GLU A 124 0.301 24.650 -8.284 1.00 0.00 C ATOM 2041 OE1 GLU A 124 0.522 25.761 -8.810 1.00 0.00 O ATOM 2042 OE2 GLU A 124 -0.272 24.516 -7.182 1.00 0.00 O ATOM 0 H GLU A 124 0.947 20.944 -10.370 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.493 22.061 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.929 23.194 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -0.419 24.190 -10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 124 0.491 22.524 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 124 1.838 23.413 -9.112 1.00 0.00 H new ATOM 2049 N ALA A 125 -1.205 21.531 -12.888 1.00 0.00 N ATOM 2050 CA ALA A 125 -1.914 21.571 -14.163 1.00 0.00 C ATOM 2051 C ALA A 125 -3.193 20.744 -14.108 1.00 0.00 C ATOM 2052 O ALA A 125 -4.296 21.291 -14.068 1.00 0.00 O ATOM 2053 CB ALA A 125 -1.016 21.072 -15.284 1.00 0.00 C ATOM 0 H ALA A 125 -0.366 20.951 -12.890 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.188 22.607 -14.362 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -1.559 21.108 -16.228 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -0.131 21.705 -15.350 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -0.714 20.045 -15.078 1.00 0.00 H new ATOM 2059 N CYS A 126 -3.041 19.423 -14.105 1.00 0.00 N ATOM 2060 CA CYS A 126 -4.186 18.519 -14.053 1.00 0.00 C ATOM 2061 C CYS A 126 -4.709 18.378 -12.626 1.00 0.00 C ATOM 2062 O CYS A 126 -4.915 17.267 -12.136 1.00 0.00 O ATOM 2063 CB CYS A 126 -3.803 17.145 -14.608 1.00 0.00 C ATOM 2064 SG CYS A 126 -2.598 16.247 -13.601 1.00 0.00 S ATOM 0 H CYS A 126 -2.136 18.954 -14.138 1.00 0.00 H new ATOM 0 HA CYS A 126 -4.979 18.944 -14.668 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.704 16.539 -14.702 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -3.398 17.271 -15.612 1.00 0.00 H new ATOM 0 HG CYS A 126 -2.999 16.221 -12.365 1.00 0.00 H new ATOM 2069 N GLY A 127 -4.918 19.509 -11.961 1.00 0.00 N ATOM 2070 CA GLY A 127 -5.408 19.487 -10.598 1.00 0.00 C ATOM 2071 C GLY A 127 -4.365 19.971 -9.610 1.00 0.00 C ATOM 2072 O GLY A 127 -3.870 21.093 -9.720 1.00 0.00 O ATOM 0 H GLY A 127 -4.756 20.441 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -6.297 20.113 -10.522 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.710 18.472 -10.338 1.00 0.00 H new ATOM 2076 N ALA A 128 -4.025 19.122 -8.648 1.00 0.00 N ATOM 2077 CA ALA A 128 -3.029 19.464 -7.642 1.00 0.00 C ATOM 2078 C ALA A 128 -2.346 18.209 -7.110 1.00 0.00 C ATOM 2079 O ALA A 128 -2.973 17.157 -6.989 1.00 0.00 O ATOM 2080 CB ALA A 128 -3.663 20.260 -6.511 1.00 0.00 C ATOM 0 H ALA A 128 -4.426 18.190 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.268 20.088 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.903 20.506 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.093 21.179 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.448 19.666 -6.043 1.00 0.00 H new ATOM 2086 N LYS A 129 -1.062 18.328 -6.796 1.00 0.00 N ATOM 2087 CA LYS A 129 -0.286 17.206 -6.278 1.00 0.00 C ATOM 2088 C LYS A 129 0.704 17.696 -5.219 1.00 0.00 C ATOM 2089 O LYS A 129 1.137 18.848 -5.255 1.00 0.00 O ATOM 2090 CB LYS A 129 0.450 16.516 -7.429 1.00 0.00 C ATOM 2091 CG LYS A 129 0.275 15.004 -7.474 1.00 0.00 C ATOM 2092 CD LYS A 129 -1.185 14.592 -7.375 1.00 0.00 C ATOM 2093 CE LYS A 129 -1.478 13.933 -6.038 1.00 0.00 C ATOM 2094 NZ LYS A 129 -0.823 12.600 -5.928 1.00 0.00 N ATOM 0 H LYS A 129 -0.533 19.195 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 129 -0.958 16.486 -5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.101 16.938 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 129 1.513 16.744 -7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 129 0.697 14.618 -8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.835 14.551 -6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -1.822 15.467 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -1.427 13.903 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.131 14.577 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -2.555 13.821 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -0.401 12.498 -4.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -1.531 11.852 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.079 12.518 -6.650 1.00 0.00 H new ATOM 2108 N ALA A 130 1.045 16.829 -4.268 1.00 0.00 N ATOM 2109 CA ALA A 130 1.968 17.196 -3.194 1.00 0.00 C ATOM 2110 C ALA A 130 3.422 16.878 -3.554 1.00 0.00 C ATOM 2111 O ALA A 130 3.803 15.711 -3.640 1.00 0.00 O ATOM 2112 CB ALA A 130 1.582 16.483 -1.908 1.00 0.00 C ATOM 0 H ALA A 130 0.698 15.871 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 130 1.893 18.274 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 130 2.275 16.763 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 130 0.570 16.769 -1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 130 1.624 15.405 -2.063 1.00 0.00 H new ATOM 2118 N PRO A 131 4.256 17.915 -3.764 1.00 0.00 N ATOM 2119 CA PRO A 131 5.672 17.734 -4.112 1.00 0.00 C ATOM 2120 C PRO A 131 6.509 17.197 -2.949 1.00 0.00 C ATOM 2121 O PRO A 131 7.063 16.101 -3.029 1.00 0.00 O ATOM 2122 CB PRO A 131 6.132 19.144 -4.491 1.00 0.00 C ATOM 2123 CG PRO A 131 5.201 20.062 -3.774 1.00 0.00 C ATOM 2124 CD PRO A 131 3.884 19.341 -3.682 1.00 0.00 C ATOM 0 HA PRO A 131 5.795 16.998 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.165 19.316 -4.189 1.00 0.00 H new ATOM 0 HB3 PRO A 131 6.085 19.298 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.582 20.304 -2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 131 5.092 21.003 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 131 3.369 19.567 -2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.214 19.627 -4.493 1.00 0.00 H new