USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 705 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 45 LYS NZ :NH3+ -159:sc= 2.05 (180deg=0.3!) USER MOD Set 1.2: B 65 ASN : amide:sc= 1.17 K(o=3.2,f=-6.8!) USER MOD Set 2.1: B 58 THR OG1 : rot -173:sc= 1.35 USER MOD Set 2.2: B 59 SER OG : rot 73:sc= 0.122 USER MOD Set 3.1: A 56 LYS NZ :NH3+ 155:sc= -0.548 (180deg=-2.13!) USER MOD Set 3.2: B 75 ASN : amide:sc= 0.62 K(o=0.072,f=-2.1) USER MOD Single : A 35 LYS NZ :NH3+ 161:sc= 1.22 (180deg=1.14) USER MOD Single : A 38 ASN : amide:sc= 0.926 K(o=0.93,f=-5.8!) USER MOD Single : A 40 ASN : amide:sc= -3.78 K(o=-3.8,f=-6.6!) USER MOD Single : A 46 HIS : no HD1:sc= -0.729 X(o=-0.73,f=-0.31) USER MOD Single : A 47 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.0918 (180deg=-1.08) USER MOD Single : A 53 CYS SG : rot -37:sc=-0.000175 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.119 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 65 ASN : amide:sc= 0.0443 K(o=0.044,f=-0.47) USER MOD Single : A 66 GLN : amide:sc= 1.02 K(o=1,f=-3.7!) USER MOD Single : A 70 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 0.928 (180deg=-0.034!) USER MOD Single : B 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0156) USER MOD Single : B 35 LYS NZ :NH3+ -160:sc= 1.29 (180deg=0.802) USER MOD Single : B 38 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 40 ASN : amide:sc=-0.00109 X(o=-0.0011,f=0) USER MOD Single : B 45 LYS NZ :NH3+ -157:sc= 1.26 (180deg=0.993) USER MOD Single : B 46 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0.0872 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 CYS SG : rot 64:sc= -3.03! USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.0615 USER MOD Single : B 66 GLN : amide:sc= -0.0365 K(o=-0.037,f=-1.1) USER MOD Single : B 70 ASN : amide:sc= 0.552 K(o=0.55,f=0) USER MOD Single : B 73 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 518 N ILE A 34 0.739 12.977 -3.594 1.00 0.64 N ATOM 519 CA ILE A 34 0.971 11.559 -3.397 1.00 0.59 C ATOM 520 C ILE A 34 1.169 10.851 -4.733 1.00 0.52 C ATOM 521 O ILE A 34 0.526 11.181 -5.731 1.00 0.59 O ATOM 522 CB ILE A 34 -0.214 10.904 -2.655 1.00 0.65 C ATOM 523 CG1 ILE A 34 -0.825 11.875 -1.644 1.00 1.10 C ATOM 524 CG2 ILE A 34 0.228 9.627 -1.958 1.00 1.06 C ATOM 525 CD1 ILE A 34 -2.313 12.079 -1.827 1.00 1.67 C ATOM 0 HA ILE A 34 1.874 11.458 -2.795 1.00 0.59 H new ATOM 0 HB ILE A 34 -0.975 10.651 -3.393 1.00 0.65 H new ATOM 0 HG12 ILE A 34 -0.638 11.503 -0.636 1.00 1.10 H new ATOM 0 HG13 ILE A 34 -0.321 12.838 -1.727 1.00 1.10 H new ATOM 0 HG21 ILE A 34 -0.622 9.182 -1.441 1.00 1.06 H new ATOM 0 HG22 ILE A 34 0.613 8.924 -2.697 1.00 1.06 H new ATOM 0 HG23 ILE A 34 1.011 9.859 -1.236 1.00 1.06 H new ATOM 0 HD11 ILE A 34 -2.679 12.779 -1.076 1.00 1.67 H new ATOM 0 HD12 ILE A 34 -2.506 12.480 -2.822 1.00 1.67 H new ATOM 0 HD13 ILE A 34 -2.828 11.125 -1.715 1.00 1.67 H new ATOM 537 N LYS A 35 2.063 9.880 -4.742 1.00 0.50 N ATOM 538 CA LYS A 35 2.361 9.104 -5.934 1.00 0.49 C ATOM 539 C LYS A 35 2.150 7.624 -5.647 1.00 0.44 C ATOM 540 O LYS A 35 2.150 7.214 -4.490 1.00 0.47 O ATOM 541 CB LYS A 35 3.802 9.362 -6.380 1.00 0.59 C ATOM 542 CG LYS A 35 4.206 10.827 -6.312 1.00 0.92 C ATOM 543 CD LYS A 35 4.220 11.466 -7.688 1.00 1.10 C ATOM 544 CE LYS A 35 2.824 11.849 -8.148 1.00 1.08 C ATOM 545 NZ LYS A 35 2.857 12.964 -9.128 1.00 1.27 N ATOM 0 H LYS A 35 2.605 9.606 -3.922 1.00 0.50 H new ATOM 0 HA LYS A 35 1.690 9.406 -6.738 1.00 0.49 H new ATOM 0 HB2 LYS A 35 4.477 8.778 -5.755 1.00 0.59 H new ATOM 0 HB3 LYS A 35 3.926 9.006 -7.403 1.00 0.59 H new ATOM 0 HG2 LYS A 35 3.513 11.367 -5.666 1.00 0.92 H new ATOM 0 HG3 LYS A 35 5.194 10.912 -5.860 1.00 0.92 H new ATOM 0 HD2 LYS A 35 4.853 12.353 -7.670 1.00 1.10 H new ATOM 0 HD3 LYS A 35 4.662 10.774 -8.405 1.00 1.10 H new ATOM 0 HE2 LYS A 35 2.338 10.983 -8.598 1.00 1.08 H new ATOM 0 HE3 LYS A 35 2.223 12.139 -7.286 1.00 1.08 H new ATOM 0 HZ1 LYS A 35 1.961 12.989 -9.655 1.00 1.27 H new ATOM 0 HZ2 LYS A 35 2.988 13.865 -8.625 1.00 1.27 H new ATOM 0 HZ3 LYS A 35 3.645 12.820 -9.791 1.00 1.27 H new ATOM 559 N ARG A 36 1.901 6.838 -6.682 1.00 0.52 N ATOM 560 CA ARG A 36 1.626 5.418 -6.502 1.00 0.53 C ATOM 561 C ARG A 36 2.683 4.565 -7.192 1.00 0.56 C ATOM 562 O ARG A 36 3.039 4.815 -8.344 1.00 0.76 O ATOM 563 CB ARG A 36 0.243 5.069 -7.048 1.00 0.64 C ATOM 564 CG ARG A 36 -0.894 5.677 -6.250 1.00 1.17 C ATOM 565 CD ARG A 36 -2.231 5.455 -6.935 1.00 1.51 C ATOM 566 NE ARG A 36 -2.932 4.292 -6.394 1.00 2.02 N ATOM 567 CZ ARG A 36 -3.275 3.224 -7.116 1.00 2.75 C ATOM 568 NH1 ARG A 36 -2.999 3.173 -8.411 1.00 2.99 N ATOM 569 NH2 ARG A 36 -3.896 2.204 -6.542 1.00 3.65 N ATOM 0 H ARG A 36 1.883 7.155 -7.651 1.00 0.52 H new ATOM 0 HA ARG A 36 1.652 5.205 -5.433 1.00 0.53 H new ATOM 0 HB2 ARG A 36 0.173 5.408 -8.081 1.00 0.64 H new ATOM 0 HB3 ARG A 36 0.129 3.985 -7.060 1.00 0.64 H new ATOM 0 HG2 ARG A 36 -0.917 5.237 -5.253 1.00 1.17 H new ATOM 0 HG3 ARG A 36 -0.721 6.746 -6.123 1.00 1.17 H new ATOM 0 HD2 ARG A 36 -2.853 6.342 -6.815 1.00 1.51 H new ATOM 0 HD3 ARG A 36 -2.073 5.319 -8.005 1.00 1.51 H new ATOM 0 HE ARG A 36 -3.174 4.297 -5.403 1.00 2.02 H new ATOM 0 HH11 ARG A 36 -2.521 3.953 -8.862 1.00 2.99 H new ATOM 0 HH12 ARG A 36 -3.264 2.353 -8.957 1.00 2.99 H new ATOM 0 HH21 ARG A 36 -4.113 2.234 -5.546 1.00 3.65 H new ATOM 0 HH22 ARG A 36 -4.157 1.389 -7.096 1.00 3.65 H new ATOM 583 N VAL A 37 3.179 3.562 -6.484 1.00 0.49 N ATOM 584 CA VAL A 37 4.188 2.662 -7.021 1.00 0.56 C ATOM 585 C VAL A 37 3.872 1.222 -6.619 1.00 0.53 C ATOM 586 O VAL A 37 3.593 0.937 -5.452 1.00 0.55 O ATOM 587 CB VAL A 37 5.609 3.078 -6.544 1.00 0.69 C ATOM 588 CG1 VAL A 37 6.439 1.888 -6.077 1.00 1.04 C ATOM 589 CG2 VAL A 37 6.335 3.828 -7.653 1.00 1.26 C ATOM 0 H VAL A 37 2.896 3.350 -5.527 1.00 0.49 H new ATOM 0 HA VAL A 37 4.173 2.727 -8.109 1.00 0.56 H new ATOM 0 HB VAL A 37 5.482 3.735 -5.683 1.00 0.69 H new ATOM 0 HG11 VAL A 37 7.421 2.234 -5.755 1.00 1.04 H new ATOM 0 HG12 VAL A 37 5.936 1.398 -5.244 1.00 1.04 H new ATOM 0 HG13 VAL A 37 6.555 1.180 -6.898 1.00 1.04 H new ATOM 0 HG21 VAL A 37 7.329 4.115 -7.308 1.00 1.26 H new ATOM 0 HG22 VAL A 37 6.426 3.185 -8.528 1.00 1.26 H new ATOM 0 HG23 VAL A 37 5.771 4.722 -7.917 1.00 1.26 H new ATOM 599 N ASN A 38 3.861 0.326 -7.595 1.00 0.55 N ATOM 600 CA ASN A 38 3.568 -1.078 -7.338 1.00 0.56 C ATOM 601 C ASN A 38 4.836 -1.901 -7.482 1.00 0.49 C ATOM 602 O ASN A 38 5.591 -1.729 -8.445 1.00 0.57 O ATOM 603 CB ASN A 38 2.486 -1.593 -8.294 1.00 0.74 C ATOM 604 CG ASN A 38 2.060 -3.017 -7.982 1.00 0.81 C ATOM 605 OD1 ASN A 38 2.781 -3.971 -8.271 1.00 1.53 O ATOM 606 ND2 ASN A 38 0.874 -3.172 -7.412 1.00 1.00 N ATOM 0 H ASN A 38 4.052 0.545 -8.573 1.00 0.55 H new ATOM 0 HA ASN A 38 3.192 -1.175 -6.320 1.00 0.56 H new ATOM 0 HB2 ASN A 38 1.617 -0.938 -8.240 1.00 0.74 H new ATOM 0 HB3 ASN A 38 2.858 -1.545 -9.317 1.00 0.74 H new ATOM 0 HD21 ASN A 38 0.530 -4.108 -7.198 1.00 1.00 H new ATOM 0 HD22 ASN A 38 0.305 -2.355 -7.188 1.00 1.00 H new ATOM 613 N VAL A 39 5.114 -2.733 -6.490 1.00 0.41 N ATOM 614 CA VAL A 39 6.343 -3.518 -6.477 1.00 0.44 C ATOM 615 C VAL A 39 6.057 -5.009 -6.376 1.00 0.42 C ATOM 616 O VAL A 39 5.075 -5.421 -5.761 1.00 0.48 O ATOM 617 CB VAL A 39 7.268 -3.119 -5.310 1.00 0.61 C ATOM 618 CG1 VAL A 39 8.714 -3.055 -5.778 1.00 1.24 C ATOM 619 CG2 VAL A 39 6.836 -1.796 -4.694 1.00 0.63 C ATOM 0 H VAL A 39 4.508 -2.883 -5.684 1.00 0.41 H new ATOM 0 HA VAL A 39 6.843 -3.306 -7.422 1.00 0.44 H new ATOM 0 HB VAL A 39 7.190 -3.883 -4.537 1.00 0.61 H new ATOM 0 HG11 VAL A 39 9.355 -2.772 -4.943 1.00 1.24 H new ATOM 0 HG12 VAL A 39 9.018 -4.032 -6.154 1.00 1.24 H new ATOM 0 HG13 VAL A 39 8.807 -2.315 -6.573 1.00 1.24 H new ATOM 0 HG21 VAL A 39 7.507 -1.540 -3.874 1.00 0.63 H new ATOM 0 HG22 VAL A 39 6.874 -1.013 -5.451 1.00 0.63 H new ATOM 0 HG23 VAL A 39 5.818 -1.886 -4.315 1.00 0.63 H new ATOM 629 N ASN A 40 6.965 -5.810 -6.926 1.00 0.46 N ATOM 630 CA ASN A 40 6.870 -7.264 -6.864 1.00 0.51 C ATOM 631 C ASN A 40 8.052 -7.824 -6.080 1.00 0.44 C ATOM 632 O ASN A 40 9.203 -7.704 -6.507 1.00 0.56 O ATOM 633 CB ASN A 40 6.854 -7.846 -8.282 1.00 0.67 C ATOM 634 CG ASN A 40 6.251 -9.237 -8.351 1.00 1.45 C ATOM 635 OD1 ASN A 40 5.478 -9.646 -7.484 1.00 2.02 O ATOM 636 ND2 ASN A 40 6.590 -9.972 -9.399 1.00 2.13 N ATOM 0 H ASN A 40 7.786 -5.469 -7.426 1.00 0.46 H new ATOM 0 HA ASN A 40 5.945 -7.543 -6.359 1.00 0.51 H new ATOM 0 HB2 ASN A 40 6.290 -7.180 -8.935 1.00 0.67 H new ATOM 0 HB3 ASN A 40 7.874 -7.880 -8.665 1.00 0.67 H new ATOM 0 HD21 ASN A 40 6.208 -10.911 -9.508 1.00 2.13 H new ATOM 0 HD22 ASN A 40 7.233 -9.599 -10.097 1.00 2.13 H new ATOM 643 N PHE A 41 7.777 -8.347 -4.895 1.00 0.40 N ATOM 644 CA PHE A 41 8.832 -8.819 -4.002 1.00 0.45 C ATOM 645 C PHE A 41 8.913 -10.335 -3.986 1.00 0.45 C ATOM 646 O PHE A 41 7.896 -11.018 -4.094 1.00 0.56 O ATOM 647 CB PHE A 41 8.582 -8.341 -2.569 1.00 0.62 C ATOM 648 CG PHE A 41 8.443 -6.854 -2.422 1.00 0.54 C ATOM 649 CD1 PHE A 41 9.516 -6.013 -2.671 1.00 0.98 C ATOM 650 CD2 PHE A 41 7.237 -6.300 -2.034 1.00 1.14 C ATOM 651 CE1 PHE A 41 9.383 -4.647 -2.530 1.00 1.10 C ATOM 652 CE2 PHE A 41 7.100 -4.935 -1.890 1.00 1.16 C ATOM 653 CZ PHE A 41 8.174 -4.106 -2.140 1.00 0.75 C ATOM 0 H PHE A 41 6.832 -8.457 -4.526 1.00 0.40 H new ATOM 0 HA PHE A 41 9.769 -8.410 -4.379 1.00 0.45 H new ATOM 0 HB2 PHE A 41 7.675 -8.816 -2.194 1.00 0.62 H new ATOM 0 HB3 PHE A 41 9.404 -8.680 -1.938 1.00 0.62 H new ATOM 0 HD1 PHE A 41 10.464 -6.430 -2.978 1.00 0.98 H new ATOM 0 HD2 PHE A 41 6.392 -6.944 -1.841 1.00 1.14 H new ATOM 0 HE1 PHE A 41 10.226 -4.000 -2.725 1.00 1.10 H new ATOM 0 HE2 PHE A 41 6.153 -4.516 -1.582 1.00 1.16 H new ATOM 0 HZ PHE A 41 8.069 -3.037 -2.031 1.00 0.75 H new ATOM 663 N ASP A 42 10.106 -10.838 -3.699 1.00 0.45 N ATOM 664 CA ASP A 42 10.324 -12.263 -3.479 1.00 0.47 C ATOM 665 C ASP A 42 9.431 -12.760 -2.348 1.00 0.40 C ATOM 666 O ASP A 42 9.163 -12.022 -1.391 1.00 0.35 O ATOM 667 CB ASP A 42 11.795 -12.508 -3.118 1.00 0.62 C ATOM 668 CG ASP A 42 12.198 -13.970 -3.125 1.00 0.70 C ATOM 669 OD1 ASP A 42 11.472 -14.805 -3.701 1.00 1.35 O ATOM 670 OD2 ASP A 42 13.266 -14.290 -2.560 1.00 1.38 O ATOM 0 H ASP A 42 10.950 -10.271 -3.612 1.00 0.45 H new ATOM 0 HA ASP A 42 10.077 -12.806 -4.392 1.00 0.47 H new ATOM 0 HB2 ASP A 42 12.426 -11.965 -3.821 1.00 0.62 H new ATOM 0 HB3 ASP A 42 11.989 -12.093 -2.129 1.00 0.62 H new ATOM 675 N GLU A 43 9.022 -14.018 -2.425 1.00 0.46 N ATOM 676 CA GLU A 43 8.224 -14.628 -1.372 1.00 0.48 C ATOM 677 C GLU A 43 8.969 -14.536 -0.049 1.00 0.40 C ATOM 678 O GLU A 43 8.385 -14.218 0.983 1.00 0.42 O ATOM 679 CB GLU A 43 7.923 -16.088 -1.710 1.00 0.65 C ATOM 680 CG GLU A 43 6.477 -16.335 -2.099 1.00 1.08 C ATOM 681 CD GLU A 43 5.627 -16.760 -0.924 1.00 1.04 C ATOM 682 OE1 GLU A 43 6.020 -17.704 -0.209 1.00 1.45 O ATOM 683 OE2 GLU A 43 4.561 -16.147 -0.708 1.00 1.28 O ATOM 0 H GLU A 43 9.230 -14.637 -3.208 1.00 0.46 H new ATOM 0 HA GLU A 43 7.278 -14.093 -1.288 1.00 0.48 H new ATOM 0 HB2 GLU A 43 8.570 -16.404 -2.529 1.00 0.65 H new ATOM 0 HB3 GLU A 43 8.171 -16.710 -0.850 1.00 0.65 H new ATOM 0 HG2 GLU A 43 6.061 -15.427 -2.535 1.00 1.08 H new ATOM 0 HG3 GLU A 43 6.438 -17.105 -2.869 1.00 1.08 H new ATOM 690 N GLU A 44 10.283 -14.703 -0.129 1.00 0.38 N ATOM 691 CA GLU A 44 11.163 -14.553 1.019 1.00 0.42 C ATOM 692 C GLU A 44 10.984 -13.187 1.674 1.00 0.37 C ATOM 693 O GLU A 44 10.689 -13.086 2.866 1.00 0.43 O ATOM 694 CB GLU A 44 12.614 -14.711 0.573 1.00 0.52 C ATOM 695 CG GLU A 44 13.522 -15.311 1.633 1.00 0.60 C ATOM 696 CD GLU A 44 12.899 -16.504 2.332 1.00 1.56 C ATOM 697 OE1 GLU A 44 12.529 -17.478 1.640 1.00 2.34 O ATOM 698 OE2 GLU A 44 12.772 -16.471 3.572 1.00 2.19 O ATOM 0 H GLU A 44 10.767 -14.946 -0.993 1.00 0.38 H new ATOM 0 HA GLU A 44 10.908 -15.322 1.748 1.00 0.42 H new ATOM 0 HB2 GLU A 44 12.644 -15.341 -0.316 1.00 0.52 H new ATOM 0 HB3 GLU A 44 13.004 -13.735 0.285 1.00 0.52 H new ATOM 0 HG2 GLU A 44 14.461 -15.616 1.171 1.00 0.60 H new ATOM 0 HG3 GLU A 44 13.764 -14.548 2.372 1.00 0.60 H new ATOM 705 N LYS A 45 11.165 -12.137 0.881 1.00 0.32 N ATOM 706 CA LYS A 45 11.045 -10.774 1.373 1.00 0.35 C ATOM 707 C LYS A 45 9.654 -10.512 1.919 1.00 0.30 C ATOM 708 O LYS A 45 9.497 -9.774 2.882 1.00 0.35 O ATOM 709 CB LYS A 45 11.339 -9.768 0.265 1.00 0.39 C ATOM 710 CG LYS A 45 12.794 -9.701 -0.144 1.00 0.56 C ATOM 711 CD LYS A 45 13.005 -8.640 -1.207 1.00 0.68 C ATOM 712 CE LYS A 45 14.276 -7.851 -0.964 1.00 1.04 C ATOM 713 NZ LYS A 45 15.158 -7.853 -2.162 1.00 1.09 N ATOM 0 H LYS A 45 11.396 -12.207 -0.110 1.00 0.32 H new ATOM 0 HA LYS A 45 11.774 -10.655 2.174 1.00 0.35 H new ATOM 0 HB2 LYS A 45 10.739 -10.022 -0.609 1.00 0.39 H new ATOM 0 HB3 LYS A 45 11.020 -8.779 0.594 1.00 0.39 H new ATOM 0 HG2 LYS A 45 13.411 -9.478 0.726 1.00 0.56 H new ATOM 0 HG3 LYS A 45 13.115 -10.671 -0.523 1.00 0.56 H new ATOM 0 HD2 LYS A 45 13.051 -9.112 -2.189 1.00 0.68 H new ATOM 0 HD3 LYS A 45 12.152 -7.962 -1.219 1.00 0.68 H new ATOM 0 HE2 LYS A 45 14.023 -6.824 -0.699 1.00 1.04 H new ATOM 0 HE3 LYS A 45 14.812 -8.276 -0.116 1.00 1.04 H new ATOM 0 HZ1 LYS A 45 16.133 -7.632 -1.876 1.00 1.09 H new ATOM 0 HZ2 LYS A 45 15.133 -8.791 -2.610 1.00 1.09 H new ATOM 0 HZ3 LYS A 45 14.825 -7.137 -2.839 1.00 1.09 H new ATOM 727 N HIS A 46 8.640 -11.062 1.270 1.00 0.28 N ATOM 728 CA HIS A 46 7.269 -10.798 1.682 1.00 0.31 C ATOM 729 C HIS A 46 6.934 -11.510 2.986 1.00 0.32 C ATOM 730 O HIS A 46 6.244 -10.957 3.838 1.00 0.34 O ATOM 731 CB HIS A 46 6.271 -11.189 0.599 1.00 0.38 C ATOM 732 CG HIS A 46 5.014 -10.374 0.659 1.00 0.43 C ATOM 733 ND1 HIS A 46 3.859 -10.808 1.269 1.00 0.58 N ATOM 734 CD2 HIS A 46 4.744 -9.131 0.199 1.00 0.47 C ATOM 735 CE1 HIS A 46 2.937 -9.871 1.181 1.00 0.64 C ATOM 736 NE2 HIS A 46 3.445 -8.840 0.534 1.00 0.58 N ATOM 0 H HIS A 46 8.736 -11.685 0.468 1.00 0.28 H new ATOM 0 HA HIS A 46 7.190 -9.723 1.845 1.00 0.31 H new ATOM 0 HB2 HIS A 46 6.734 -11.066 -0.380 1.00 0.38 H new ATOM 0 HB3 HIS A 46 6.021 -12.245 0.703 1.00 0.38 H new ATOM 0 HD2 HIS A 46 5.426 -8.485 -0.334 1.00 0.47 H new ATOM 0 HE1 HIS A 46 1.933 -9.936 1.573 1.00 0.64 H new ATOM 0 HE2 HIS A 46 2.955 -7.972 0.319 1.00 0.58 H new ATOM 745 N THR A 47 7.457 -12.713 3.154 1.00 0.33 N ATOM 746 CA THR A 47 7.254 -13.459 4.384 1.00 0.40 C ATOM 747 C THR A 47 7.952 -12.754 5.548 1.00 0.39 C ATOM 748 O THR A 47 7.360 -12.547 6.610 1.00 0.43 O ATOM 749 CB THR A 47 7.773 -14.904 4.250 1.00 0.47 C ATOM 750 OG1 THR A 47 7.165 -15.538 3.111 1.00 0.72 O ATOM 751 CG2 THR A 47 7.472 -15.715 5.501 1.00 0.60 C ATOM 0 H THR A 47 8.024 -13.193 2.455 1.00 0.33 H new ATOM 0 HA THR A 47 6.183 -13.501 4.582 1.00 0.40 H new ATOM 0 HB THR A 47 8.854 -14.863 4.117 1.00 0.47 H new ATOM 0 HG1 THR A 47 7.524 -15.145 2.288 1.00 0.72 H new ATOM 0 HG21 THR A 47 7.850 -16.730 5.376 1.00 0.60 H new ATOM 0 HG22 THR A 47 7.955 -15.251 6.361 1.00 0.60 H new ATOM 0 HG23 THR A 47 6.395 -15.747 5.664 1.00 0.60 H new ATOM 759 N ARG A 48 9.168 -12.276 5.295 1.00 0.35 N ATOM 760 CA ARG A 48 9.905 -11.504 6.287 1.00 0.38 C ATOM 761 C ARG A 48 9.261 -10.138 6.493 1.00 0.34 C ATOM 762 O ARG A 48 9.292 -9.598 7.592 1.00 0.38 O ATOM 763 CB ARG A 48 11.363 -11.336 5.867 1.00 0.42 C ATOM 764 CG ARG A 48 12.343 -11.887 6.888 1.00 0.73 C ATOM 765 CD ARG A 48 13.660 -11.133 6.865 1.00 0.80 C ATOM 766 NE ARG A 48 14.792 -12.011 6.561 1.00 0.90 N ATOM 767 CZ ARG A 48 15.725 -12.355 7.446 1.00 1.43 C ATOM 768 NH1 ARG A 48 15.627 -11.958 8.707 1.00 1.83 N ATOM 769 NH2 ARG A 48 16.737 -13.132 7.082 1.00 1.87 N ATOM 0 H ARG A 48 9.662 -12.410 4.413 1.00 0.35 H new ATOM 0 HA ARG A 48 9.874 -12.051 7.229 1.00 0.38 H new ATOM 0 HB2 ARG A 48 11.520 -11.839 4.913 1.00 0.42 H new ATOM 0 HB3 ARG A 48 11.570 -10.278 5.708 1.00 0.42 H new ATOM 0 HG2 ARG A 48 11.905 -11.824 7.884 1.00 0.73 H new ATOM 0 HG3 ARG A 48 12.524 -12.943 6.686 1.00 0.73 H new ATOM 0 HD2 ARG A 48 13.609 -10.338 6.122 1.00 0.80 H new ATOM 0 HD3 ARG A 48 13.821 -10.656 7.832 1.00 0.80 H new ATOM 0 HE ARG A 48 14.870 -12.381 5.614 1.00 0.90 H new ATOM 0 HH11 ARG A 48 14.835 -11.387 9.002 1.00 1.83 H new ATOM 0 HH12 ARG A 48 16.344 -12.223 9.382 1.00 1.83 H new ATOM 0 HH21 ARG A 48 16.802 -13.468 6.121 1.00 1.87 H new ATOM 0 HH22 ARG A 48 17.450 -13.393 7.763 1.00 1.87 H new ATOM 783 N PHE A 49 8.648 -9.607 5.439 1.00 0.32 N ATOM 784 CA PHE A 49 7.946 -8.328 5.507 1.00 0.32 C ATOM 785 C PHE A 49 6.870 -8.376 6.578 1.00 0.36 C ATOM 786 O PHE A 49 6.833 -7.537 7.474 1.00 0.39 O ATOM 787 CB PHE A 49 7.291 -8.009 4.160 1.00 0.33 C ATOM 788 CG PHE A 49 7.831 -6.787 3.475 1.00 0.39 C ATOM 789 CD1 PHE A 49 8.902 -6.091 4.002 1.00 0.85 C ATOM 790 CD2 PHE A 49 7.258 -6.337 2.296 1.00 0.85 C ATOM 791 CE1 PHE A 49 9.396 -4.969 3.369 1.00 0.94 C ATOM 792 CE2 PHE A 49 7.745 -5.216 1.657 1.00 0.92 C ATOM 793 CZ PHE A 49 8.815 -4.530 2.194 1.00 0.67 C ATOM 0 H PHE A 49 8.623 -10.047 4.519 1.00 0.32 H new ATOM 0 HA PHE A 49 8.673 -7.553 5.752 1.00 0.32 H new ATOM 0 HB2 PHE A 49 7.417 -8.866 3.498 1.00 0.33 H new ATOM 0 HB3 PHE A 49 6.220 -7.880 4.314 1.00 0.33 H new ATOM 0 HD1 PHE A 49 9.358 -6.429 4.921 1.00 0.85 H new ATOM 0 HD2 PHE A 49 6.420 -6.871 1.873 1.00 0.85 H new ATOM 0 HE1 PHE A 49 10.235 -4.435 3.791 1.00 0.94 H new ATOM 0 HE2 PHE A 49 7.290 -4.876 0.738 1.00 0.92 H new ATOM 0 HZ PHE A 49 9.198 -3.651 1.697 1.00 0.67 H new ATOM 803 N LYS A 50 6.020 -9.389 6.479 1.00 0.39 N ATOM 804 CA LYS A 50 4.931 -9.585 7.421 1.00 0.45 C ATOM 805 C LYS A 50 5.463 -9.784 8.834 1.00 0.42 C ATOM 806 O LYS A 50 4.933 -9.220 9.792 1.00 0.42 O ATOM 807 CB LYS A 50 4.091 -10.796 7.006 1.00 0.54 C ATOM 808 CG LYS A 50 3.536 -10.700 5.594 1.00 0.93 C ATOM 809 CD LYS A 50 2.341 -9.763 5.530 1.00 1.47 C ATOM 810 CE LYS A 50 1.044 -10.499 5.819 1.00 1.37 C ATOM 811 NZ LYS A 50 0.710 -10.494 7.270 1.00 2.17 N ATOM 0 H LYS A 50 6.067 -10.095 5.745 1.00 0.39 H new ATOM 0 HA LYS A 50 4.306 -8.692 7.411 1.00 0.45 H new ATOM 0 HB2 LYS A 50 4.702 -11.695 7.086 1.00 0.54 H new ATOM 0 HB3 LYS A 50 3.263 -10.909 7.705 1.00 0.54 H new ATOM 0 HG2 LYS A 50 4.315 -10.345 4.919 1.00 0.93 H new ATOM 0 HG3 LYS A 50 3.242 -11.691 5.249 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.471 -8.955 6.250 1.00 1.47 H new ATOM 0 HD3 LYS A 50 2.289 -9.304 4.543 1.00 1.47 H new ATOM 0 HE2 LYS A 50 0.232 -10.036 5.259 1.00 1.37 H new ATOM 0 HE3 LYS A 50 1.126 -11.528 5.470 1.00 1.37 H new ATOM 0 HZ1 LYS A 50 -0.323 -10.520 7.389 1.00 2.17 H new ATOM 0 HZ2 LYS A 50 1.132 -11.328 7.726 1.00 2.17 H new ATOM 0 HZ3 LYS A 50 1.087 -9.630 7.710 1.00 2.17 H new ATOM 825 N ALA A 51 6.512 -10.586 8.951 1.00 0.43 N ATOM 826 CA ALA A 51 7.118 -10.869 10.243 1.00 0.46 C ATOM 827 C ALA A 51 7.742 -9.617 10.852 1.00 0.44 C ATOM 828 O ALA A 51 7.547 -9.326 12.033 1.00 0.47 O ATOM 829 CB ALA A 51 8.162 -11.965 10.101 1.00 0.53 C ATOM 0 H ALA A 51 6.962 -11.053 8.164 1.00 0.43 H new ATOM 0 HA ALA A 51 6.332 -11.210 10.917 1.00 0.46 H new ATOM 0 HB1 ALA A 51 8.610 -12.169 11.074 1.00 0.53 H new ATOM 0 HB2 ALA A 51 7.689 -12.871 9.722 1.00 0.53 H new ATOM 0 HB3 ALA A 51 8.937 -11.642 9.406 1.00 0.53 H new ATOM 835 N ALA A 52 8.533 -8.908 10.058 1.00 0.46 N ATOM 836 CA ALA A 52 9.224 -7.719 10.535 1.00 0.53 C ATOM 837 C ALA A 52 8.243 -6.595 10.862 1.00 0.53 C ATOM 838 O ALA A 52 8.345 -5.968 11.917 1.00 0.65 O ATOM 839 CB ALA A 52 10.246 -7.253 9.510 1.00 0.58 C ATOM 0 H ALA A 52 8.712 -9.136 9.080 1.00 0.46 H new ATOM 0 HA ALA A 52 9.744 -7.983 11.456 1.00 0.53 H new ATOM 0 HB1 ALA A 52 10.754 -6.363 9.881 1.00 0.58 H new ATOM 0 HB2 ALA A 52 10.977 -8.044 9.339 1.00 0.58 H new ATOM 0 HB3 ALA A 52 9.741 -7.018 8.573 1.00 0.58 H new ATOM 845 N CYS A 53 7.302 -6.332 9.955 1.00 0.48 N ATOM 846 CA CYS A 53 6.340 -5.256 10.148 1.00 0.56 C ATOM 847 C CYS A 53 5.499 -5.491 11.404 1.00 0.49 C ATOM 848 O CYS A 53 5.242 -4.559 12.171 1.00 0.53 O ATOM 849 CB CYS A 53 5.442 -5.106 8.911 1.00 0.68 C ATOM 850 SG CYS A 53 4.087 -6.301 8.794 1.00 1.29 S ATOM 0 H CYS A 53 7.189 -6.849 9.083 1.00 0.48 H new ATOM 0 HA CYS A 53 6.894 -4.327 10.285 1.00 0.56 H new ATOM 0 HB2 CYS A 53 5.020 -4.101 8.907 1.00 0.68 H new ATOM 0 HB3 CYS A 53 6.062 -5.195 8.019 1.00 0.68 H new ATOM 0 HG CYS A 53 4.489 -7.457 9.231 1.00 1.29 H new ATOM 856 N ALA A 54 5.126 -6.745 11.644 1.00 0.45 N ATOM 857 CA ALA A 54 4.349 -7.101 12.822 1.00 0.52 C ATOM 858 C ALA A 54 5.170 -6.913 14.094 1.00 0.53 C ATOM 859 O ALA A 54 4.654 -6.468 15.120 1.00 0.63 O ATOM 860 CB ALA A 54 3.852 -8.535 12.718 1.00 0.63 C ATOM 0 H ALA A 54 5.351 -7.532 11.035 1.00 0.45 H new ATOM 0 HA ALA A 54 3.487 -6.436 12.873 1.00 0.52 H new ATOM 0 HB1 ALA A 54 3.273 -8.785 13.607 1.00 0.63 H new ATOM 0 HB2 ALA A 54 3.223 -8.639 11.834 1.00 0.63 H new ATOM 0 HB3 ALA A 54 4.704 -9.210 12.638 1.00 0.63 H new ATOM 866 N ARG A 55 6.458 -7.229 14.008 1.00 0.53 N ATOM 867 CA ARG A 55 7.362 -7.086 15.143 1.00 0.66 C ATOM 868 C ARG A 55 7.565 -5.613 15.504 1.00 0.65 C ATOM 869 O ARG A 55 7.809 -5.273 16.663 1.00 0.75 O ATOM 870 CB ARG A 55 8.709 -7.741 14.830 1.00 0.77 C ATOM 871 CG ARG A 55 9.652 -7.797 16.020 1.00 1.38 C ATOM 872 CD ARG A 55 11.086 -8.046 15.584 1.00 1.87 C ATOM 873 NE ARG A 55 12.052 -7.486 16.529 1.00 2.37 N ATOM 874 CZ ARG A 55 13.036 -8.187 17.093 1.00 2.79 C ATOM 875 NH1 ARG A 55 13.190 -9.473 16.806 1.00 2.91 N ATOM 876 NH2 ARG A 55 13.859 -7.605 17.953 1.00 3.58 N ATOM 0 H ARG A 55 6.900 -7.587 13.161 1.00 0.53 H new ATOM 0 HA ARG A 55 6.911 -7.587 16.000 1.00 0.66 H new ATOM 0 HB2 ARG A 55 8.535 -8.754 14.468 1.00 0.77 H new ATOM 0 HB3 ARG A 55 9.191 -7.192 14.021 1.00 0.77 H new ATOM 0 HG2 ARG A 55 9.597 -6.860 16.574 1.00 1.38 H new ATOM 0 HG3 ARG A 55 9.335 -8.588 16.700 1.00 1.38 H new ATOM 0 HD2 ARG A 55 11.254 -9.119 15.487 1.00 1.87 H new ATOM 0 HD3 ARG A 55 11.247 -7.608 14.599 1.00 1.87 H new ATOM 0 HE ARG A 55 11.968 -6.499 16.771 1.00 2.37 H new ATOM 0 HH11 ARG A 55 12.554 -9.929 16.152 1.00 2.91 H new ATOM 0 HH12 ARG A 55 13.944 -10.006 17.240 1.00 2.91 H new ATOM 0 HH21 ARG A 55 13.740 -6.619 18.185 1.00 3.58 H new ATOM 0 HH22 ARG A 55 14.611 -8.143 18.383 1.00 3.58 H new ATOM 890 N LYS A 56 7.474 -4.747 14.507 1.00 0.59 N ATOM 891 CA LYS A 56 7.672 -3.319 14.715 1.00 0.64 C ATOM 892 C LYS A 56 6.355 -2.625 15.043 1.00 0.54 C ATOM 893 O LYS A 56 6.341 -1.463 15.451 1.00 0.67 O ATOM 894 CB LYS A 56 8.291 -2.686 13.469 1.00 0.71 C ATOM 895 CG LYS A 56 9.709 -3.152 13.185 1.00 1.15 C ATOM 896 CD LYS A 56 10.082 -2.946 11.726 1.00 1.46 C ATOM 897 CE LYS A 56 11.373 -2.155 11.582 1.00 2.01 C ATOM 898 NZ LYS A 56 12.345 -2.468 12.664 1.00 2.32 N ATOM 0 H LYS A 56 7.264 -5.008 13.543 1.00 0.59 H new ATOM 0 HA LYS A 56 8.349 -3.193 15.560 1.00 0.64 H new ATOM 0 HB2 LYS A 56 7.664 -2.914 12.607 1.00 0.71 H new ATOM 0 HB3 LYS A 56 8.291 -1.602 13.585 1.00 0.71 H new ATOM 0 HG2 LYS A 56 10.406 -2.606 13.820 1.00 1.15 H new ATOM 0 HG3 LYS A 56 9.804 -4.207 13.440 1.00 1.15 H new ATOM 0 HD2 LYS A 56 10.192 -3.915 11.238 1.00 1.46 H new ATOM 0 HD3 LYS A 56 9.275 -2.422 11.215 1.00 1.46 H new ATOM 0 HE2 LYS A 56 11.825 -2.373 10.615 1.00 2.01 H new ATOM 0 HE3 LYS A 56 11.148 -1.089 11.595 1.00 2.01 H new ATOM 0 HZ1 LYS A 56 13.310 -2.270 12.331 1.00 2.32 H new ATOM 0 HZ2 LYS A 56 12.138 -1.880 13.497 1.00 2.32 H new ATOM 0 HZ3 LYS A 56 12.267 -3.473 12.921 1.00 2.32 H new ATOM 912 N GLY A 57 5.247 -3.299 14.758 1.00 0.48 N ATOM 913 CA GLY A 57 3.948 -2.677 14.912 1.00 0.47 C ATOM 914 C GLY A 57 3.696 -1.677 13.804 1.00 0.51 C ATOM 915 O GLY A 57 3.575 -0.477 14.047 1.00 0.58 O ATOM 0 H GLY A 57 5.226 -4.263 14.424 1.00 0.48 H new ATOM 0 HA2 GLY A 57 3.171 -3.441 14.902 1.00 0.47 H new ATOM 0 HA3 GLY A 57 3.892 -2.177 15.879 1.00 0.47 H new ATOM 919 N THR A 58 3.791 -2.155 12.577 1.00 0.59 N ATOM 920 CA THR A 58 3.729 -1.295 11.410 1.00 0.73 C ATOM 921 C THR A 58 2.984 -1.982 10.269 1.00 0.56 C ATOM 922 O THR A 58 3.223 -3.156 9.994 1.00 0.53 O ATOM 923 CB THR A 58 5.155 -0.936 10.942 1.00 1.06 C ATOM 924 OG1 THR A 58 5.908 -0.399 12.039 1.00 2.01 O ATOM 925 CG2 THR A 58 5.132 0.064 9.801 1.00 0.61 C ATOM 0 H THR A 58 3.913 -3.145 12.362 1.00 0.59 H new ATOM 0 HA THR A 58 3.193 -0.387 11.686 1.00 0.73 H new ATOM 0 HB THR A 58 5.628 -1.850 10.582 1.00 1.06 H new ATOM 0 HG1 THR A 58 6.813 -0.175 11.736 1.00 2.01 H new ATOM 0 HG21 THR A 58 6.153 0.293 9.498 1.00 0.61 H new ATOM 0 HG22 THR A 58 4.589 -0.360 8.956 1.00 0.61 H new ATOM 0 HG23 THR A 58 4.637 0.978 10.128 1.00 0.61 H new ATOM 933 N SER A 59 2.115 -1.243 9.589 1.00 0.55 N ATOM 934 CA SER A 59 1.418 -1.777 8.427 1.00 0.50 C ATOM 935 C SER A 59 2.418 -2.068 7.316 1.00 0.44 C ATOM 936 O SER A 59 3.374 -1.315 7.126 1.00 0.43 O ATOM 937 CB SER A 59 0.366 -0.779 7.941 1.00 0.61 C ATOM 938 OG SER A 59 0.201 0.280 8.870 1.00 0.72 O ATOM 0 H SER A 59 1.878 -0.278 9.821 1.00 0.55 H new ATOM 0 HA SER A 59 0.917 -2.704 8.706 1.00 0.50 H new ATOM 0 HB2 SER A 59 0.663 -0.375 6.973 1.00 0.61 H new ATOM 0 HB3 SER A 59 -0.585 -1.291 7.795 1.00 0.61 H new ATOM 0 HG SER A 59 -0.475 0.906 8.536 1.00 0.72 H new ATOM 944 N ILE A 60 2.229 -3.185 6.624 1.00 0.46 N ATOM 945 CA ILE A 60 3.154 -3.601 5.576 1.00 0.50 C ATOM 946 C ILE A 60 3.330 -2.499 4.530 1.00 0.47 C ATOM 947 O ILE A 60 4.432 -2.276 4.034 1.00 0.50 O ATOM 948 CB ILE A 60 2.692 -4.915 4.901 1.00 0.61 C ATOM 949 CG1 ILE A 60 3.714 -5.367 3.855 1.00 0.99 C ATOM 950 CG2 ILE A 60 1.314 -4.758 4.266 1.00 1.01 C ATOM 951 CD1 ILE A 60 3.803 -6.869 3.704 1.00 0.96 C ATOM 0 H ILE A 60 1.444 -3.819 6.769 1.00 0.46 H new ATOM 0 HA ILE A 60 4.118 -3.786 6.049 1.00 0.50 H new ATOM 0 HB ILE A 60 2.619 -5.680 5.674 1.00 0.61 H new ATOM 0 HG12 ILE A 60 3.454 -4.928 2.892 1.00 0.99 H new ATOM 0 HG13 ILE A 60 4.696 -4.979 4.127 1.00 0.99 H new ATOM 0 HG21 ILE A 60 1.019 -5.698 3.801 1.00 1.01 H new ATOM 0 HG22 ILE A 60 0.588 -4.489 5.034 1.00 1.01 H new ATOM 0 HG23 ILE A 60 1.349 -3.974 3.510 1.00 1.01 H new ATOM 0 HD11 ILE A 60 4.547 -7.115 2.946 1.00 0.96 H new ATOM 0 HD12 ILE A 60 4.094 -7.314 4.656 1.00 0.96 H new ATOM 0 HD13 ILE A 60 2.833 -7.262 3.401 1.00 0.96 H new ATOM 963 N THR A 61 2.265 -1.752 4.276 1.00 0.45 N ATOM 964 CA THR A 61 2.310 -0.649 3.337 1.00 0.45 C ATOM 965 C THR A 61 3.197 0.488 3.850 1.00 0.42 C ATOM 966 O THR A 61 4.010 1.045 3.107 1.00 0.41 O ATOM 967 CB THR A 61 0.891 -0.119 3.087 1.00 0.51 C ATOM 968 OG1 THR A 61 -0.058 -0.949 3.774 1.00 0.68 O ATOM 969 CG2 THR A 61 0.573 -0.092 1.601 1.00 0.77 C ATOM 0 H THR A 61 1.354 -1.894 4.713 1.00 0.45 H new ATOM 0 HA THR A 61 2.737 -1.020 2.405 1.00 0.45 H new ATOM 0 HB THR A 61 0.830 0.901 3.466 1.00 0.51 H new ATOM 0 HG1 THR A 61 -0.964 -0.610 3.616 1.00 0.68 H new ATOM 0 HG21 THR A 61 -0.438 0.287 1.452 1.00 0.77 H new ATOM 0 HG22 THR A 61 1.283 0.557 1.089 1.00 0.77 H new ATOM 0 HG23 THR A 61 0.645 -1.101 1.195 1.00 0.77 H new ATOM 977 N ASP A 62 3.069 0.796 5.138 1.00 0.42 N ATOM 978 CA ASP A 62 3.867 1.851 5.760 1.00 0.42 C ATOM 979 C ASP A 62 5.315 1.406 5.915 1.00 0.36 C ATOM 980 O ASP A 62 6.233 2.221 5.868 1.00 0.35 O ATOM 981 CB ASP A 62 3.291 2.234 7.127 1.00 0.47 C ATOM 982 CG ASP A 62 3.531 3.693 7.472 1.00 0.61 C ATOM 983 OD1 ASP A 62 2.978 4.573 6.778 1.00 0.92 O ATOM 984 OD2 ASP A 62 4.272 3.971 8.439 1.00 1.06 O ATOM 0 H ASP A 62 2.420 0.330 5.772 1.00 0.42 H new ATOM 0 HA ASP A 62 3.834 2.725 5.110 1.00 0.42 H new ATOM 0 HB2 ASP A 62 2.220 2.034 7.135 1.00 0.47 H new ATOM 0 HB3 ASP A 62 3.739 1.604 7.896 1.00 0.47 H new ATOM 989 N VAL A 63 5.511 0.098 6.048 1.00 0.34 N ATOM 990 CA VAL A 63 6.845 -0.478 6.151 1.00 0.32 C ATOM 991 C VAL A 63 7.637 -0.219 4.873 1.00 0.31 C ATOM 992 O VAL A 63 8.804 0.174 4.927 1.00 0.35 O ATOM 993 CB VAL A 63 6.770 -1.997 6.459 1.00 0.36 C ATOM 994 CG1 VAL A 63 7.663 -2.823 5.539 1.00 0.68 C ATOM 995 CG2 VAL A 63 7.133 -2.251 7.912 1.00 0.66 C ATOM 0 H VAL A 63 4.756 -0.587 6.087 1.00 0.34 H new ATOM 0 HA VAL A 63 7.364 0.005 6.979 1.00 0.32 H new ATOM 0 HB VAL A 63 5.743 -2.315 6.277 1.00 0.36 H new ATOM 0 HG11 VAL A 63 7.574 -3.878 5.797 1.00 0.68 H new ATOM 0 HG12 VAL A 63 7.355 -2.675 4.504 1.00 0.68 H new ATOM 0 HG13 VAL A 63 8.699 -2.507 5.658 1.00 0.68 H new ATOM 0 HG21 VAL A 63 7.078 -3.320 8.119 1.00 0.66 H new ATOM 0 HG22 VAL A 63 8.146 -1.897 8.101 1.00 0.66 H new ATOM 0 HG23 VAL A 63 6.436 -1.719 8.560 1.00 0.66 H new ATOM 1005 N VAL A 64 6.974 -0.343 3.726 1.00 0.29 N ATOM 1006 CA VAL A 64 7.616 -0.040 2.457 1.00 0.29 C ATOM 1007 C VAL A 64 7.897 1.453 2.360 1.00 0.31 C ATOM 1008 O VAL A 64 9.002 1.862 2.022 1.00 0.34 O ATOM 1009 CB VAL A 64 6.771 -0.482 1.245 1.00 0.31 C ATOM 1010 CG1 VAL A 64 7.635 -0.552 -0.004 1.00 0.33 C ATOM 1011 CG2 VAL A 64 6.101 -1.823 1.500 1.00 0.38 C ATOM 0 H VAL A 64 6.003 -0.648 3.652 1.00 0.29 H new ATOM 0 HA VAL A 64 8.549 -0.603 2.430 1.00 0.29 H new ATOM 0 HB VAL A 64 5.988 0.261 1.092 1.00 0.31 H new ATOM 0 HG11 VAL A 64 7.025 -0.865 -0.851 1.00 0.33 H new ATOM 0 HG12 VAL A 64 8.061 0.430 -0.207 1.00 0.33 H new ATOM 0 HG13 VAL A 64 8.439 -1.271 0.150 1.00 0.33 H new ATOM 0 HG21 VAL A 64 5.513 -2.108 0.628 1.00 0.38 H new ATOM 0 HG22 VAL A 64 6.862 -2.580 1.687 1.00 0.38 H new ATOM 0 HG23 VAL A 64 5.447 -1.744 2.368 1.00 0.38 H new ATOM 1021 N ASN A 65 6.930 2.258 2.770 1.00 0.32 N ATOM 1022 CA ASN A 65 7.102 3.710 2.799 1.00 0.35 C ATOM 1023 C ASN A 65 8.296 4.106 3.668 1.00 0.38 C ATOM 1024 O ASN A 65 8.982 5.095 3.394 1.00 0.40 O ATOM 1025 CB ASN A 65 5.837 4.381 3.329 1.00 0.40 C ATOM 1026 CG ASN A 65 5.413 5.568 2.491 1.00 0.48 C ATOM 1027 OD1 ASN A 65 6.239 6.259 1.896 1.00 0.91 O ATOM 1028 ND2 ASN A 65 4.114 5.813 2.443 1.00 0.48 N ATOM 0 H ASN A 65 6.016 1.935 3.088 1.00 0.32 H new ATOM 0 HA ASN A 65 7.290 4.045 1.779 1.00 0.35 H new ATOM 0 HB2 ASN A 65 5.027 3.652 3.355 1.00 0.40 H new ATOM 0 HB3 ASN A 65 6.006 4.707 4.355 1.00 0.40 H new ATOM 0 HD21 ASN A 65 3.763 6.600 1.897 1.00 0.48 H new ATOM 0 HD22 ASN A 65 3.463 5.215 2.952 1.00 0.48 H new ATOM 1035 N GLN A 66 8.543 3.319 4.707 1.00 0.39 N ATOM 1036 CA GLN A 66 9.647 3.565 5.622 1.00 0.42 C ATOM 1037 C GLN A 66 10.991 3.298 4.949 1.00 0.40 C ATOM 1038 O GLN A 66 11.921 4.099 5.064 1.00 0.44 O ATOM 1039 CB GLN A 66 9.496 2.693 6.867 1.00 0.44 C ATOM 1040 CG GLN A 66 10.582 2.913 7.906 1.00 0.87 C ATOM 1041 CD GLN A 66 10.520 1.902 9.030 1.00 1.45 C ATOM 1042 OE1 GLN A 66 11.369 1.017 9.133 1.00 2.20 O ATOM 1043 NE2 GLN A 66 9.520 2.034 9.883 1.00 1.61 N ATOM 0 H GLN A 66 7.986 2.496 4.938 1.00 0.39 H new ATOM 0 HA GLN A 66 9.621 4.615 5.914 1.00 0.42 H new ATOM 0 HB2 GLN A 66 8.526 2.891 7.322 1.00 0.44 H new ATOM 0 HB3 GLN A 66 9.500 1.645 6.568 1.00 0.44 H new ATOM 0 HG2 GLN A 66 11.558 2.857 7.424 1.00 0.87 H new ATOM 0 HG3 GLN A 66 10.488 3.917 8.319 1.00 0.87 H new ATOM 0 HE21 GLN A 66 8.839 2.783 9.758 1.00 1.61 H new ATOM 0 HE22 GLN A 66 9.429 1.387 10.666 1.00 1.61 H new ATOM 1052 N LEU A 67 11.107 2.167 4.258 1.00 0.36 N ATOM 1053 CA LEU A 67 12.362 1.811 3.604 1.00 0.35 C ATOM 1054 C LEU A 67 12.632 2.717 2.407 1.00 0.31 C ATOM 1055 O LEU A 67 13.782 3.075 2.145 1.00 0.32 O ATOM 1056 CB LEU A 67 12.381 0.344 3.166 1.00 0.38 C ATOM 1057 CG LEU A 67 11.086 -0.188 2.566 1.00 0.63 C ATOM 1058 CD1 LEU A 67 11.162 -0.197 1.049 1.00 1.04 C ATOM 1059 CD2 LEU A 67 10.795 -1.581 3.092 1.00 1.01 C ATOM 0 H LEU A 67 10.356 1.488 4.137 1.00 0.36 H new ATOM 0 HA LEU A 67 13.154 1.953 4.339 1.00 0.35 H new ATOM 0 HB2 LEU A 67 13.178 0.214 2.434 1.00 0.38 H new ATOM 0 HB3 LEU A 67 12.638 -0.270 4.030 1.00 0.38 H new ATOM 0 HG LEU A 67 10.272 0.473 2.863 1.00 0.63 H new ATOM 0 HD11 LEU A 67 10.227 -0.580 0.640 1.00 1.04 H new ATOM 0 HD12 LEU A 67 11.327 0.818 0.687 1.00 1.04 H new ATOM 0 HD13 LEU A 67 11.986 -0.835 0.730 1.00 1.04 H new ATOM 0 HD21 LEU A 67 9.867 -1.948 2.655 1.00 1.01 H new ATOM 0 HD22 LEU A 67 11.613 -2.250 2.823 1.00 1.01 H new ATOM 0 HD23 LEU A 67 10.696 -1.547 4.177 1.00 1.01 H new ATOM 1071 N VAL A 68 11.567 3.117 1.709 1.00 0.29 N ATOM 1072 CA VAL A 68 11.693 4.030 0.578 1.00 0.28 C ATOM 1073 C VAL A 68 12.320 5.335 1.038 1.00 0.30 C ATOM 1074 O VAL A 68 13.350 5.762 0.517 1.00 0.32 O ATOM 1075 CB VAL A 68 10.328 4.344 -0.074 1.00 0.28 C ATOM 1076 CG1 VAL A 68 10.495 5.346 -1.206 1.00 0.81 C ATOM 1077 CG2 VAL A 68 9.664 3.078 -0.583 1.00 0.69 C ATOM 0 H VAL A 68 10.611 2.822 1.909 1.00 0.29 H new ATOM 0 HA VAL A 68 12.322 3.537 -0.163 1.00 0.28 H new ATOM 0 HB VAL A 68 9.684 4.783 0.688 1.00 0.28 H new ATOM 0 HG11 VAL A 68 9.523 5.555 -1.653 1.00 0.81 H new ATOM 0 HG12 VAL A 68 10.920 6.270 -0.814 1.00 0.81 H new ATOM 0 HG13 VAL A 68 11.161 4.932 -1.963 1.00 0.81 H new ATOM 0 HG21 VAL A 68 8.705 3.327 -1.037 1.00 0.69 H new ATOM 0 HG22 VAL A 68 10.305 2.604 -1.326 1.00 0.69 H new ATOM 0 HG23 VAL A 68 9.504 2.391 0.248 1.00 0.69 H new ATOM 1087 N ASP A 69 11.723 5.919 2.064 1.00 0.33 N ATOM 1088 CA ASP A 69 12.209 7.160 2.645 1.00 0.39 C ATOM 1089 C ASP A 69 13.620 6.981 3.200 1.00 0.36 C ATOM 1090 O ASP A 69 14.464 7.857 3.054 1.00 0.37 O ATOM 1091 CB ASP A 69 11.250 7.615 3.749 1.00 0.50 C ATOM 1092 CG ASP A 69 11.698 8.876 4.456 1.00 0.74 C ATOM 1093 OD1 ASP A 69 11.758 9.942 3.811 1.00 1.11 O ATOM 1094 OD2 ASP A 69 11.962 8.815 5.674 1.00 1.33 O ATOM 0 H ASP A 69 10.889 5.547 2.517 1.00 0.33 H new ATOM 0 HA ASP A 69 12.250 7.924 1.869 1.00 0.39 H new ATOM 0 HB2 ASP A 69 10.263 7.781 3.316 1.00 0.50 H new ATOM 0 HB3 ASP A 69 11.146 6.815 4.482 1.00 0.50 H new ATOM 1099 N ASN A 70 13.871 5.827 3.809 1.00 0.35 N ATOM 1100 CA ASN A 70 15.174 5.525 4.398 1.00 0.37 C ATOM 1101 C ASN A 70 16.288 5.544 3.354 1.00 0.33 C ATOM 1102 O ASN A 70 17.206 6.361 3.431 1.00 0.40 O ATOM 1103 CB ASN A 70 15.137 4.155 5.078 1.00 0.44 C ATOM 1104 CG ASN A 70 15.130 4.258 6.587 1.00 0.89 C ATOM 1105 OD1 ASN A 70 16.178 4.385 7.222 1.00 0.95 O ATOM 1106 ND2 ASN A 70 13.944 4.203 7.168 1.00 1.69 N ATOM 0 H ASN A 70 13.184 5.079 3.909 1.00 0.35 H new ATOM 0 HA ASN A 70 15.387 6.300 5.134 1.00 0.37 H new ATOM 0 HB2 ASN A 70 14.250 3.614 4.750 1.00 0.44 H new ATOM 0 HB3 ASN A 70 16.002 3.572 4.761 1.00 0.44 H new ATOM 0 HD21 ASN A 70 13.870 4.266 8.183 1.00 1.69 H new ATOM 0 HD22 ASN A 70 13.103 4.097 6.601 1.00 1.69 H new ATOM 1113 N TRP A 71 16.222 4.617 2.402 1.00 0.30 N ATOM 1114 CA TRP A 71 17.254 4.486 1.375 1.00 0.36 C ATOM 1115 C TRP A 71 17.387 5.774 0.569 1.00 0.35 C ATOM 1116 O TRP A 71 18.494 6.203 0.241 1.00 0.40 O ATOM 1117 CB TRP A 71 16.921 3.313 0.445 1.00 0.42 C ATOM 1118 CG TRP A 71 18.034 2.926 -0.490 1.00 0.52 C ATOM 1119 CD1 TRP A 71 19.065 2.066 -0.231 1.00 0.63 C ATOM 1120 CD2 TRP A 71 18.213 3.358 -1.849 1.00 0.58 C ATOM 1121 NE1 TRP A 71 19.882 1.961 -1.330 1.00 0.72 N ATOM 1122 CE2 TRP A 71 19.376 2.733 -2.336 1.00 0.68 C ATOM 1123 CE3 TRP A 71 17.503 4.211 -2.701 1.00 0.62 C ATOM 1124 CZ2 TRP A 71 19.848 2.938 -3.631 1.00 0.77 C ATOM 1125 CZ3 TRP A 71 17.973 4.409 -3.986 1.00 0.73 C ATOM 1126 CH2 TRP A 71 19.131 3.772 -4.441 1.00 0.77 C ATOM 0 H TRP A 71 15.461 3.942 2.320 1.00 0.30 H new ATOM 0 HA TRP A 71 18.207 4.293 1.868 1.00 0.36 H new ATOM 0 HB2 TRP A 71 16.656 2.448 1.052 1.00 0.42 H new ATOM 0 HB3 TRP A 71 16.041 3.571 -0.144 1.00 0.42 H new ATOM 0 HD1 TRP A 71 19.215 1.545 0.703 1.00 0.63 H new ATOM 0 HE1 TRP A 71 20.730 1.397 -1.386 1.00 0.72 H new ATOM 0 HE3 TRP A 71 16.605 4.705 -2.361 1.00 0.62 H new ATOM 0 HZ2 TRP A 71 20.748 2.455 -3.982 1.00 0.77 H new ATOM 0 HZ3 TRP A 71 17.435 5.068 -4.651 1.00 0.73 H new ATOM 0 HH2 TRP A 71 19.466 3.943 -5.454 1.00 0.77 H new ATOM 1137 N LEU A 72 16.256 6.384 0.257 1.00 0.36 N ATOM 1138 CA LEU A 72 16.236 7.591 -0.554 1.00 0.42 C ATOM 1139 C LEU A 72 16.799 8.795 0.196 1.00 0.49 C ATOM 1140 O LEU A 72 17.228 9.760 -0.423 1.00 0.61 O ATOM 1141 CB LEU A 72 14.814 7.881 -1.023 1.00 0.45 C ATOM 1142 CG LEU A 72 14.682 8.241 -2.500 1.00 0.42 C ATOM 1143 CD1 LEU A 72 15.230 7.125 -3.374 1.00 1.23 C ATOM 1144 CD2 LEU A 72 13.231 8.526 -2.846 1.00 1.38 C ATOM 0 H LEU A 72 15.335 6.062 0.554 1.00 0.36 H new ATOM 0 HA LEU A 72 16.877 7.417 -1.418 1.00 0.42 H new ATOM 0 HB2 LEU A 72 14.196 7.006 -0.821 1.00 0.45 H new ATOM 0 HB3 LEU A 72 14.411 8.700 -0.428 1.00 0.45 H new ATOM 0 HG LEU A 72 15.267 9.141 -2.690 1.00 0.42 H new ATOM 0 HD11 LEU A 72 15.127 7.401 -4.423 1.00 1.23 H new ATOM 0 HD12 LEU A 72 16.283 6.965 -3.143 1.00 1.23 H new ATOM 0 HD13 LEU A 72 14.674 6.207 -3.184 1.00 1.23 H new ATOM 0 HD21 LEU A 72 13.152 8.781 -3.903 1.00 1.38 H new ATOM 0 HD22 LEU A 72 12.628 7.642 -2.640 1.00 1.38 H new ATOM 0 HD23 LEU A 72 12.870 9.360 -2.243 1.00 1.38 H new ATOM 1156 N LYS A 73 16.762 8.765 1.519 1.00 0.51 N ATOM 1157 CA LYS A 73 17.267 9.886 2.304 1.00 0.64 C ATOM 1158 C LYS A 73 18.705 9.646 2.756 1.00 0.63 C ATOM 1159 O LYS A 73 19.445 10.595 3.012 1.00 0.74 O ATOM 1160 CB LYS A 73 16.373 10.152 3.515 1.00 0.82 C ATOM 1161 CG LYS A 73 15.089 10.889 3.163 1.00 0.97 C ATOM 1162 CD LYS A 73 14.798 12.016 4.140 1.00 1.32 C ATOM 1163 CE LYS A 73 14.480 11.483 5.528 1.00 1.19 C ATOM 1164 NZ LYS A 73 13.019 11.444 5.787 1.00 1.42 N ATOM 0 H LYS A 73 16.393 7.989 2.068 1.00 0.51 H new ATOM 0 HA LYS A 73 17.254 10.765 1.660 1.00 0.64 H new ATOM 0 HB2 LYS A 73 16.121 9.203 3.988 1.00 0.82 H new ATOM 0 HB3 LYS A 73 16.930 10.736 4.248 1.00 0.82 H new ATOM 0 HG2 LYS A 73 15.168 11.294 2.154 1.00 0.97 H new ATOM 0 HG3 LYS A 73 14.256 10.186 3.160 1.00 0.97 H new ATOM 0 HD2 LYS A 73 15.658 12.683 4.194 1.00 1.32 H new ATOM 0 HD3 LYS A 73 13.958 12.607 3.775 1.00 1.32 H new ATOM 0 HE2 LYS A 73 14.894 10.480 5.635 1.00 1.19 H new ATOM 0 HE3 LYS A 73 14.964 12.110 6.277 1.00 1.19 H new ATOM 0 HZ1 LYS A 73 12.806 10.678 6.457 1.00 1.42 H new ATOM 0 HZ2 LYS A 73 12.714 12.352 6.191 1.00 1.42 H new ATOM 0 HZ3 LYS A 73 12.513 11.274 4.895 1.00 1.42 H new ATOM 1178 N GLU A 74 19.070 8.384 2.938 1.00 0.60 N ATOM 1179 CA GLU A 74 20.391 8.045 3.456 1.00 0.77 C ATOM 1180 C GLU A 74 21.411 7.855 2.335 1.00 0.85 C ATOM 1181 O GLU A 74 22.564 8.269 2.460 1.00 1.00 O ATOM 1182 CB GLU A 74 20.317 6.785 4.316 1.00 0.93 C ATOM 1183 CG GLU A 74 19.911 7.061 5.752 1.00 1.00 C ATOM 1184 CD GLU A 74 20.658 6.198 6.742 1.00 1.39 C ATOM 1185 OE1 GLU A 74 20.387 4.981 6.794 1.00 2.41 O ATOM 1186 OE2 GLU A 74 21.517 6.731 7.476 1.00 1.30 O ATOM 0 H GLU A 74 18.474 7.581 2.736 1.00 0.60 H new ATOM 0 HA GLU A 74 20.725 8.882 4.070 1.00 0.77 H new ATOM 0 HB2 GLU A 74 19.604 6.091 3.871 1.00 0.93 H new ATOM 0 HB3 GLU A 74 21.289 6.291 4.309 1.00 0.93 H new ATOM 0 HG2 GLU A 74 20.092 8.111 5.982 1.00 1.00 H new ATOM 0 HG3 GLU A 74 18.840 6.891 5.862 1.00 1.00 H new ATOM 1719 N LYS B 33 6.095 -17.189 -6.527 1.00 1.35 N ATOM 1720 CA LYS B 33 7.123 -16.854 -5.545 1.00 0.80 C ATOM 1721 C LYS B 33 7.393 -15.354 -5.503 1.00 0.59 C ATOM 1722 O LYS B 33 8.452 -14.920 -5.057 1.00 0.58 O ATOM 1723 CB LYS B 33 8.423 -17.603 -5.857 1.00 1.23 C ATOM 1724 CG LYS B 33 8.765 -17.658 -7.339 1.00 2.23 C ATOM 1725 CD LYS B 33 10.244 -17.394 -7.592 1.00 3.13 C ATOM 1726 CE LYS B 33 11.140 -18.270 -6.728 1.00 4.15 C ATOM 1727 NZ LYS B 33 10.931 -19.717 -6.992 1.00 4.99 N ATOM 0 HA LYS B 33 6.752 -17.160 -4.567 1.00 0.80 H new ATOM 0 HB2 LYS B 33 9.244 -17.124 -5.323 1.00 1.23 H new ATOM 0 HB3 LYS B 33 8.345 -18.621 -5.475 1.00 1.23 H new ATOM 0 HG2 LYS B 33 8.498 -18.637 -7.737 1.00 2.23 H new ATOM 0 HG3 LYS B 33 8.168 -16.922 -7.877 1.00 2.23 H new ATOM 0 HD2 LYS B 33 10.469 -17.573 -8.643 1.00 3.13 H new ATOM 0 HD3 LYS B 33 10.463 -16.345 -7.393 1.00 3.13 H new ATOM 0 HE2 LYS B 33 12.183 -18.015 -6.914 1.00 4.15 H new ATOM 0 HE3 LYS B 33 10.944 -18.062 -5.676 1.00 4.15 H new ATOM 0 HZ1 LYS B 33 11.630 -20.272 -6.458 1.00 4.99 H new ATOM 0 HZ2 LYS B 33 9.972 -19.989 -6.694 1.00 4.99 H new ATOM 0 HZ3 LYS B 33 11.044 -19.904 -8.009 1.00 4.99 H new ATOM 1741 N ILE B 34 6.430 -14.566 -5.953 1.00 0.67 N ATOM 1742 CA ILE B 34 6.559 -13.118 -5.942 1.00 0.59 C ATOM 1743 C ILE B 34 5.237 -12.475 -5.541 1.00 0.57 C ATOM 1744 O ILE B 34 4.177 -12.845 -6.049 1.00 0.68 O ATOM 1745 CB ILE B 34 7.004 -12.559 -7.312 1.00 0.78 C ATOM 1746 CG1 ILE B 34 6.884 -13.624 -8.405 1.00 1.38 C ATOM 1747 CG2 ILE B 34 8.431 -12.041 -7.231 1.00 1.45 C ATOM 1748 CD1 ILE B 34 5.588 -13.556 -9.173 1.00 1.92 C ATOM 0 H ILE B 34 5.547 -14.907 -6.332 1.00 0.67 H new ATOM 0 HA ILE B 34 7.331 -12.873 -5.213 1.00 0.59 H new ATOM 0 HB ILE B 34 6.344 -11.732 -7.573 1.00 0.78 H new ATOM 0 HG12 ILE B 34 7.716 -13.514 -9.101 1.00 1.38 H new ATOM 0 HG13 ILE B 34 6.977 -14.611 -7.951 1.00 1.38 H new ATOM 0 HG21 ILE B 34 8.732 -11.650 -8.203 1.00 1.45 H new ATOM 0 HG22 ILE B 34 8.488 -11.247 -6.487 1.00 1.45 H new ATOM 0 HG23 ILE B 34 9.098 -12.855 -6.945 1.00 1.45 H new ATOM 0 HD11 ILE B 34 5.572 -14.340 -9.931 1.00 1.92 H new ATOM 0 HD12 ILE B 34 4.752 -13.696 -8.488 1.00 1.92 H new ATOM 0 HD13 ILE B 34 5.502 -12.583 -9.656 1.00 1.92 H new ATOM 1760 N LYS B 35 5.298 -11.566 -4.584 1.00 0.54 N ATOM 1761 CA LYS B 35 4.104 -10.916 -4.062 1.00 0.58 C ATOM 1762 C LYS B 35 4.140 -9.422 -4.355 1.00 0.59 C ATOM 1763 O LYS B 35 5.194 -8.796 -4.271 1.00 0.67 O ATOM 1764 CB LYS B 35 3.995 -11.155 -2.555 1.00 0.70 C ATOM 1765 CG LYS B 35 4.277 -12.590 -2.143 1.00 0.94 C ATOM 1766 CD LYS B 35 3.024 -13.438 -2.197 1.00 1.25 C ATOM 1767 CE LYS B 35 3.073 -14.428 -3.348 1.00 1.12 C ATOM 1768 NZ LYS B 35 2.990 -15.829 -2.870 1.00 1.30 N ATOM 0 H LYS B 35 6.167 -11.258 -4.148 1.00 0.54 H new ATOM 0 HA LYS B 35 3.230 -11.344 -4.553 1.00 0.58 H new ATOM 0 HB2 LYS B 35 4.692 -10.495 -2.040 1.00 0.70 H new ATOM 0 HB3 LYS B 35 2.993 -10.881 -2.224 1.00 0.70 H new ATOM 0 HG2 LYS B 35 5.035 -13.016 -2.800 1.00 0.94 H new ATOM 0 HG3 LYS B 35 4.686 -12.606 -1.133 1.00 0.94 H new ATOM 0 HD2 LYS B 35 2.907 -13.977 -1.257 1.00 1.25 H new ATOM 0 HD3 LYS B 35 2.151 -12.794 -2.306 1.00 1.25 H new ATOM 0 HE2 LYS B 35 2.251 -14.228 -4.035 1.00 1.12 H new ATOM 0 HE3 LYS B 35 3.997 -14.289 -3.909 1.00 1.12 H new ATOM 0 HZ1 LYS B 35 3.357 -16.468 -3.603 1.00 1.30 H new ATOM 0 HZ2 LYS B 35 3.556 -15.934 -2.004 1.00 1.30 H new ATOM 0 HZ3 LYS B 35 1.998 -16.068 -2.667 1.00 1.30 H new ATOM 1782 N ARG B 36 3.006 -8.869 -4.746 1.00 0.63 N ATOM 1783 CA ARG B 36 2.937 -7.472 -5.140 1.00 0.65 C ATOM 1784 C ARG B 36 2.210 -6.622 -4.103 1.00 0.63 C ATOM 1785 O ARG B 36 1.273 -7.083 -3.448 1.00 0.77 O ATOM 1786 CB ARG B 36 2.231 -7.346 -6.489 1.00 0.72 C ATOM 1787 CG ARG B 36 3.177 -7.353 -7.673 1.00 1.52 C ATOM 1788 CD ARG B 36 2.417 -7.441 -8.983 1.00 1.83 C ATOM 1789 NE ARG B 36 1.579 -6.267 -9.205 1.00 2.61 N ATOM 1790 CZ ARG B 36 0.273 -6.320 -9.467 1.00 3.31 C ATOM 1791 NH1 ARG B 36 -0.351 -7.489 -9.537 1.00 3.37 N ATOM 1792 NH2 ARG B 36 -0.412 -5.201 -9.647 1.00 4.33 N ATOM 0 H ARG B 36 2.117 -9.367 -4.799 1.00 0.63 H new ATOM 0 HA ARG B 36 3.960 -7.103 -5.218 1.00 0.65 H new ATOM 0 HB2 ARG B 36 1.522 -8.167 -6.596 1.00 0.72 H new ATOM 0 HB3 ARG B 36 1.653 -6.422 -6.502 1.00 0.72 H new ATOM 0 HG2 ARG B 36 3.784 -6.448 -7.662 1.00 1.52 H new ATOM 0 HG3 ARG B 36 3.862 -8.197 -7.590 1.00 1.52 H new ATOM 0 HD2 ARG B 36 3.124 -7.544 -9.807 1.00 1.83 H new ATOM 0 HD3 ARG B 36 1.795 -8.336 -8.983 1.00 1.83 H new ATOM 0 HE ARG B 36 2.020 -5.349 -9.157 1.00 2.61 H new ATOM 0 HH11 ARG B 36 0.169 -8.354 -9.390 1.00 3.37 H new ATOM 0 HH12 ARG B 36 -1.350 -7.522 -9.738 1.00 3.37 H new ATOM 0 HH21 ARG B 36 0.060 -4.299 -9.585 1.00 4.33 H new ATOM 0 HH22 ARG B 36 -1.411 -5.241 -9.847 1.00 4.33 H new ATOM 1806 N VAL B 37 2.609 -5.359 -4.018 1.00 0.53 N ATOM 1807 CA VAL B 37 1.970 -4.395 -3.131 1.00 0.56 C ATOM 1808 C VAL B 37 2.094 -2.987 -3.717 1.00 0.49 C ATOM 1809 O VAL B 37 3.046 -2.695 -4.450 1.00 0.49 O ATOM 1810 CB VAL B 37 2.577 -4.437 -1.703 1.00 0.71 C ATOM 1811 CG1 VAL B 37 3.873 -3.636 -1.617 1.00 0.92 C ATOM 1812 CG2 VAL B 37 1.571 -3.937 -0.675 1.00 1.36 C ATOM 0 H VAL B 37 3.383 -4.975 -4.560 1.00 0.53 H new ATOM 0 HA VAL B 37 0.917 -4.663 -3.048 1.00 0.56 H new ATOM 0 HB VAL B 37 2.816 -5.477 -1.480 1.00 0.71 H new ATOM 0 HG11 VAL B 37 4.267 -3.690 -0.602 1.00 0.92 H new ATOM 0 HG12 VAL B 37 4.603 -4.050 -2.312 1.00 0.92 H new ATOM 0 HG13 VAL B 37 3.675 -2.596 -1.875 1.00 0.92 H new ATOM 0 HG21 VAL B 37 2.017 -3.975 0.319 1.00 1.36 H new ATOM 0 HG22 VAL B 37 1.292 -2.910 -0.909 1.00 1.36 H new ATOM 0 HG23 VAL B 37 0.683 -4.568 -0.698 1.00 1.36 H new ATOM 1822 N ASN B 38 1.120 -2.133 -3.432 1.00 0.54 N ATOM 1823 CA ASN B 38 1.141 -0.760 -3.922 1.00 0.54 C ATOM 1824 C ASN B 38 1.444 0.198 -2.784 1.00 0.52 C ATOM 1825 O ASN B 38 0.752 0.202 -1.765 1.00 0.60 O ATOM 1826 CB ASN B 38 -0.196 -0.388 -4.564 1.00 0.66 C ATOM 1827 CG ASN B 38 -0.251 1.070 -4.994 1.00 0.92 C ATOM 1828 OD1 ASN B 38 0.384 1.467 -5.972 1.00 1.67 O ATOM 1829 ND2 ASN B 38 -1.008 1.877 -4.267 1.00 1.37 N ATOM 0 H ASN B 38 0.305 -2.366 -2.864 1.00 0.54 H new ATOM 0 HA ASN B 38 1.923 -0.684 -4.677 1.00 0.54 H new ATOM 0 HB2 ASN B 38 -0.369 -1.026 -5.431 1.00 0.66 H new ATOM 0 HB3 ASN B 38 -1.002 -0.586 -3.857 1.00 0.66 H new ATOM 0 HD21 ASN B 38 -1.080 2.865 -4.510 1.00 1.37 H new ATOM 0 HD22 ASN B 38 -1.519 1.511 -3.464 1.00 1.37 H new ATOM 1836 N VAL B 39 2.474 1.007 -2.959 1.00 0.48 N ATOM 1837 CA VAL B 39 2.864 1.971 -1.946 1.00 0.49 C ATOM 1838 C VAL B 39 2.571 3.388 -2.413 1.00 0.46 C ATOM 1839 O VAL B 39 2.581 3.675 -3.614 1.00 0.48 O ATOM 1840 CB VAL B 39 4.363 1.863 -1.596 1.00 0.54 C ATOM 1841 CG1 VAL B 39 4.593 2.190 -0.126 1.00 0.77 C ATOM 1842 CG2 VAL B 39 4.904 0.482 -1.933 1.00 0.54 C ATOM 0 H VAL B 39 3.057 1.015 -3.796 1.00 0.48 H new ATOM 0 HA VAL B 39 2.280 1.744 -1.054 1.00 0.49 H new ATOM 0 HB VAL B 39 4.906 2.591 -2.199 1.00 0.54 H new ATOM 0 HG11 VAL B 39 5.656 2.109 0.103 1.00 0.77 H new ATOM 0 HG12 VAL B 39 4.254 3.206 0.078 1.00 0.77 H new ATOM 0 HG13 VAL B 39 4.034 1.490 0.494 1.00 0.77 H new ATOM 0 HG21 VAL B 39 5.962 0.433 -1.676 1.00 0.54 H new ATOM 0 HG22 VAL B 39 4.358 -0.271 -1.365 1.00 0.54 H new ATOM 0 HG23 VAL B 39 4.780 0.293 -2.999 1.00 0.54 H new ATOM 1852 N ASN B 40 2.336 4.273 -1.458 1.00 0.52 N ATOM 1853 CA ASN B 40 2.076 5.668 -1.758 1.00 0.57 C ATOM 1854 C ASN B 40 3.300 6.501 -1.424 1.00 0.56 C ATOM 1855 O ASN B 40 3.737 6.545 -0.278 1.00 0.72 O ATOM 1856 CB ASN B 40 0.867 6.183 -0.970 1.00 0.77 C ATOM 1857 CG ASN B 40 -0.384 5.354 -1.194 1.00 1.47 C ATOM 1858 OD1 ASN B 40 -1.187 5.645 -2.082 1.00 2.28 O ATOM 1859 ND2 ASN B 40 -0.552 4.313 -0.393 1.00 1.99 N ATOM 0 H ASN B 40 2.320 4.046 -0.464 1.00 0.52 H new ATOM 0 HA ASN B 40 1.854 5.755 -2.822 1.00 0.57 H new ATOM 0 HB2 ASN B 40 1.108 6.187 0.093 1.00 0.77 H new ATOM 0 HB3 ASN B 40 0.668 7.216 -1.255 1.00 0.77 H new ATOM 0 HD21 ASN B 40 -1.372 3.715 -0.498 1.00 1.99 H new ATOM 0 HD22 ASN B 40 0.138 4.109 0.329 1.00 1.99 H new ATOM 1866 N PHE B 41 3.851 7.159 -2.424 1.00 0.48 N ATOM 1867 CA PHE B 41 5.042 7.973 -2.242 1.00 0.55 C ATOM 1868 C PHE B 41 4.662 9.445 -2.199 1.00 0.60 C ATOM 1869 O PHE B 41 3.568 9.815 -2.611 1.00 0.76 O ATOM 1870 CB PHE B 41 6.030 7.745 -3.397 1.00 0.66 C ATOM 1871 CG PHE B 41 6.697 6.395 -3.418 1.00 0.67 C ATOM 1872 CD1 PHE B 41 6.342 5.401 -2.520 1.00 1.04 C ATOM 1873 CD2 PHE B 41 7.687 6.123 -4.349 1.00 1.12 C ATOM 1874 CE1 PHE B 41 6.958 4.165 -2.551 1.00 1.08 C ATOM 1875 CE2 PHE B 41 8.308 4.890 -4.386 1.00 1.26 C ATOM 1876 CZ PHE B 41 7.941 3.910 -3.486 1.00 0.93 C ATOM 0 H PHE B 41 3.492 7.147 -3.379 1.00 0.48 H new ATOM 0 HA PHE B 41 5.514 7.685 -1.302 1.00 0.55 H new ATOM 0 HB2 PHE B 41 5.500 7.884 -4.339 1.00 0.66 H new ATOM 0 HB3 PHE B 41 6.802 8.513 -3.349 1.00 0.66 H new ATOM 0 HD1 PHE B 41 5.574 5.595 -1.786 1.00 1.04 H new ATOM 0 HD2 PHE B 41 7.977 6.886 -5.056 1.00 1.12 H new ATOM 0 HE1 PHE B 41 6.671 3.400 -1.845 1.00 1.08 H new ATOM 0 HE2 PHE B 41 9.078 4.693 -5.117 1.00 1.26 H new ATOM 0 HZ PHE B 41 8.423 2.944 -3.513 1.00 0.93 H new ATOM 1886 N ASP B 42 5.576 10.281 -1.752 1.00 0.56 N ATOM 1887 CA ASP B 42 5.351 11.718 -1.758 1.00 0.59 C ATOM 1888 C ASP B 42 5.958 12.323 -3.023 1.00 0.54 C ATOM 1889 O ASP B 42 6.670 11.639 -3.760 1.00 0.51 O ATOM 1890 CB ASP B 42 5.928 12.360 -0.483 1.00 0.68 C ATOM 1891 CG ASP B 42 7.223 13.120 -0.706 1.00 1.22 C ATOM 1892 OD1 ASP B 42 8.301 12.511 -0.589 1.00 2.03 O ATOM 1893 OD2 ASP B 42 7.165 14.339 -0.971 1.00 1.66 O ATOM 0 H ASP B 42 6.481 9.994 -1.380 1.00 0.56 H new ATOM 0 HA ASP B 42 4.280 11.920 -1.763 1.00 0.59 H new ATOM 0 HB2 ASP B 42 5.187 13.041 -0.064 1.00 0.68 H new ATOM 0 HB3 ASP B 42 6.100 11.580 0.259 1.00 0.68 H new ATOM 1898 N GLU B 43 5.606 13.570 -3.313 1.00 0.63 N ATOM 1899 CA GLU B 43 6.071 14.245 -4.520 1.00 0.67 C ATOM 1900 C GLU B 43 7.593 14.207 -4.625 1.00 0.56 C ATOM 1901 O GLU B 43 8.141 13.779 -5.638 1.00 0.60 O ATOM 1902 CB GLU B 43 5.591 15.697 -4.530 1.00 0.87 C ATOM 1903 CG GLU B 43 4.469 15.969 -5.520 1.00 1.09 C ATOM 1904 CD GLU B 43 4.791 15.493 -6.920 1.00 1.11 C ATOM 1905 OE1 GLU B 43 5.927 15.715 -7.390 1.00 1.63 O ATOM 1906 OE2 GLU B 43 3.900 14.902 -7.571 1.00 1.73 O ATOM 0 H GLU B 43 4.996 14.138 -2.725 1.00 0.63 H new ATOM 0 HA GLU B 43 5.655 13.718 -5.378 1.00 0.67 H new ATOM 0 HB2 GLU B 43 5.252 15.964 -3.529 1.00 0.87 H new ATOM 0 HB3 GLU B 43 6.434 16.346 -4.764 1.00 0.87 H new ATOM 0 HG2 GLU B 43 3.559 15.477 -5.175 1.00 1.09 H new ATOM 0 HG3 GLU B 43 4.264 17.039 -5.544 1.00 1.09 H new ATOM 1913 N GLU B 44 8.261 14.588 -3.542 1.00 0.52 N ATOM 1914 CA GLU B 44 9.718 14.577 -3.486 1.00 0.54 C ATOM 1915 C GLU B 44 10.253 13.164 -3.662 1.00 0.53 C ATOM 1916 O GLU B 44 11.249 12.943 -4.353 1.00 0.57 O ATOM 1917 CB GLU B 44 10.191 15.132 -2.149 1.00 0.62 C ATOM 1918 CG GLU B 44 10.933 16.452 -2.257 1.00 0.91 C ATOM 1919 CD GLU B 44 12.422 16.274 -2.473 1.00 1.74 C ATOM 1920 OE1 GLU B 44 12.867 15.122 -2.654 1.00 2.36 O ATOM 1921 OE2 GLU B 44 13.159 17.285 -2.458 1.00 2.52 O ATOM 0 H GLU B 44 7.812 14.911 -2.685 1.00 0.52 H new ATOM 0 HA GLU B 44 10.095 15.201 -4.296 1.00 0.54 H new ATOM 0 HB2 GLU B 44 9.328 15.264 -1.496 1.00 0.62 H new ATOM 0 HB3 GLU B 44 10.842 14.399 -1.673 1.00 0.62 H new ATOM 0 HG2 GLU B 44 10.518 17.030 -3.082 1.00 0.91 H new ATOM 0 HG3 GLU B 44 10.769 17.031 -1.348 1.00 0.91 H new ATOM 1928 N LYS B 45 9.590 12.216 -3.013 1.00 0.52 N ATOM 1929 CA LYS B 45 9.989 10.818 -3.058 1.00 0.56 C ATOM 1930 C LYS B 45 9.992 10.284 -4.484 1.00 0.55 C ATOM 1931 O LYS B 45 10.788 9.416 -4.817 1.00 0.59 O ATOM 1932 CB LYS B 45 9.053 9.976 -2.189 1.00 0.61 C ATOM 1933 CG LYS B 45 9.779 8.991 -1.293 1.00 0.75 C ATOM 1934 CD LYS B 45 9.861 9.497 0.139 1.00 0.96 C ATOM 1935 CE LYS B 45 11.032 10.446 0.335 1.00 1.30 C ATOM 1936 NZ LYS B 45 10.583 11.837 0.604 1.00 1.74 N ATOM 0 H LYS B 45 8.763 12.395 -2.443 1.00 0.52 H new ATOM 0 HA LYS B 45 11.005 10.749 -2.670 1.00 0.56 H new ATOM 0 HB2 LYS B 45 8.449 10.640 -1.571 1.00 0.61 H new ATOM 0 HB3 LYS B 45 8.366 9.429 -2.834 1.00 0.61 H new ATOM 0 HG2 LYS B 45 9.263 8.031 -1.312 1.00 0.75 H new ATOM 0 HG3 LYS B 45 10.784 8.820 -1.678 1.00 0.75 H new ATOM 0 HD2 LYS B 45 8.933 10.006 0.398 1.00 0.96 H new ATOM 0 HD3 LYS B 45 9.961 8.651 0.819 1.00 0.96 H new ATOM 0 HE2 LYS B 45 11.647 10.097 1.165 1.00 1.30 H new ATOM 0 HE3 LYS B 45 11.661 10.434 -0.555 1.00 1.30 H new ATOM 0 HZ1 LYS B 45 11.341 12.502 0.350 1.00 1.74 H new ATOM 0 HZ2 LYS B 45 9.737 12.044 0.036 1.00 1.74 H new ATOM 0 HZ3 LYS B 45 10.356 11.939 1.614 1.00 1.74 H new ATOM 1950 N HIS B 46 9.142 10.837 -5.337 1.00 0.52 N ATOM 1951 CA HIS B 46 9.089 10.402 -6.726 1.00 0.55 C ATOM 1952 C HIS B 46 10.213 11.027 -7.539 1.00 0.56 C ATOM 1953 O HIS B 46 10.849 10.348 -8.343 1.00 0.58 O ATOM 1954 CB HIS B 46 7.738 10.724 -7.362 1.00 0.59 C ATOM 1955 CG HIS B 46 7.384 9.802 -8.493 1.00 0.70 C ATOM 1956 ND1 HIS B 46 6.810 10.233 -9.668 1.00 0.94 N ATOM 1957 CD2 HIS B 46 7.532 8.462 -8.623 1.00 0.81 C ATOM 1958 CE1 HIS B 46 6.616 9.203 -10.468 1.00 1.07 C ATOM 1959 NE2 HIS B 46 7.047 8.113 -9.860 1.00 0.99 N ATOM 0 H HIS B 46 8.486 11.580 -5.096 1.00 0.52 H new ATOM 0 HA HIS B 46 9.218 9.320 -6.729 1.00 0.55 H new ATOM 0 HB2 HIS B 46 6.962 10.668 -6.599 1.00 0.59 H new ATOM 0 HB3 HIS B 46 7.751 11.750 -7.729 1.00 0.59 H new ATOM 0 HD2 HIS B 46 7.954 7.791 -7.889 1.00 0.81 H new ATOM 0 HE1 HIS B 46 6.178 9.244 -11.454 1.00 1.07 H new ATOM 0 HE2 HIS B 46 7.024 7.169 -10.245 1.00 0.99 H new ATOM 1968 N THR B 47 10.477 12.307 -7.312 1.00 0.59 N ATOM 1969 CA THR B 47 11.556 12.991 -8.015 1.00 0.64 C ATOM 1970 C THR B 47 12.912 12.425 -7.609 1.00 0.62 C ATOM 1971 O THR B 47 13.738 12.097 -8.460 1.00 0.65 O ATOM 1972 CB THR B 47 11.532 14.502 -7.736 1.00 0.71 C ATOM 1973 OG1 THR B 47 10.346 14.840 -7.012 1.00 0.85 O ATOM 1974 CG2 THR B 47 11.579 15.295 -9.033 1.00 0.79 C ATOM 0 H THR B 47 9.963 12.890 -6.651 1.00 0.59 H new ATOM 0 HA THR B 47 11.402 12.827 -9.082 1.00 0.64 H new ATOM 0 HB THR B 47 12.411 14.755 -7.143 1.00 0.71 H new ATOM 0 HG1 THR B 47 10.335 15.804 -6.834 1.00 0.85 H new ATOM 0 HG21 THR B 47 11.561 16.361 -8.808 1.00 0.79 H new ATOM 0 HG22 THR B 47 12.494 15.054 -9.574 1.00 0.79 H new ATOM 0 HG23 THR B 47 10.716 15.039 -9.647 1.00 0.79 H new ATOM 1982 N ARG B 48 13.098 12.232 -6.309 1.00 0.59 N ATOM 1983 CA ARG B 48 14.327 11.643 -5.795 1.00 0.61 C ATOM 1984 C ARG B 48 14.466 10.206 -6.273 1.00 0.54 C ATOM 1985 O ARG B 48 15.566 9.742 -6.560 1.00 0.56 O ATOM 1986 CB ARG B 48 14.351 11.684 -4.272 1.00 0.66 C ATOM 1987 CG ARG B 48 15.689 12.120 -3.701 1.00 0.93 C ATOM 1988 CD ARG B 48 15.543 12.619 -2.277 1.00 1.46 C ATOM 1989 NE ARG B 48 15.213 14.043 -2.230 1.00 1.67 N ATOM 1990 CZ ARG B 48 16.055 14.995 -1.831 1.00 1.70 C ATOM 1991 NH1 ARG B 48 17.251 14.673 -1.351 1.00 1.82 N ATOM 1992 NH2 ARG B 48 15.680 16.268 -1.874 1.00 2.26 N ATOM 0 H ARG B 48 12.414 12.475 -5.592 1.00 0.59 H new ATOM 0 HA ARG B 48 15.166 12.228 -6.173 1.00 0.61 H new ATOM 0 HB2 ARG B 48 13.576 12.366 -3.922 1.00 0.66 H new ATOM 0 HB3 ARG B 48 14.104 10.695 -3.885 1.00 0.66 H new ATOM 0 HG2 ARG B 48 16.387 11.284 -3.726 1.00 0.93 H new ATOM 0 HG3 ARG B 48 16.113 12.908 -4.323 1.00 0.93 H new ATOM 0 HD2 ARG B 48 14.764 12.049 -1.770 1.00 1.46 H new ATOM 0 HD3 ARG B 48 16.471 12.443 -1.734 1.00 1.46 H new ATOM 0 HE ARG B 48 14.277 14.326 -2.522 1.00 1.67 H new ATOM 0 HH11 ARG B 48 17.528 13.693 -1.287 1.00 1.82 H new ATOM 0 HH12 ARG B 48 17.892 15.405 -1.047 1.00 1.82 H new ATOM 0 HH21 ARG B 48 14.750 16.514 -2.212 1.00 2.26 H new ATOM 0 HH22 ARG B 48 16.322 16.999 -1.569 1.00 2.26 H new ATOM 2006 N PHE B 49 13.339 9.516 -6.393 1.00 0.49 N ATOM 2007 CA PHE B 49 13.335 8.150 -6.892 1.00 0.45 C ATOM 2008 C PHE B 49 13.769 8.120 -8.349 1.00 0.47 C ATOM 2009 O PHE B 49 14.584 7.292 -8.743 1.00 0.48 O ATOM 2010 CB PHE B 49 11.949 7.525 -6.753 1.00 0.48 C ATOM 2011 CG PHE B 49 11.990 6.104 -6.288 1.00 0.38 C ATOM 2012 CD1 PHE B 49 12.055 5.804 -4.938 1.00 0.83 C ATOM 2013 CD2 PHE B 49 11.978 5.069 -7.202 1.00 1.06 C ATOM 2014 CE1 PHE B 49 12.105 4.492 -4.512 1.00 0.87 C ATOM 2015 CE2 PHE B 49 12.025 3.759 -6.783 1.00 1.27 C ATOM 2016 CZ PHE B 49 12.091 3.469 -5.437 1.00 0.85 C ATOM 0 H PHE B 49 12.418 9.881 -6.151 1.00 0.49 H new ATOM 0 HA PHE B 49 14.040 7.570 -6.296 1.00 0.45 H new ATOM 0 HB2 PHE B 49 11.360 8.114 -6.050 1.00 0.48 H new ATOM 0 HB3 PHE B 49 11.438 7.572 -7.715 1.00 0.48 H new ATOM 0 HD1 PHE B 49 12.067 6.603 -4.212 1.00 0.83 H new ATOM 0 HD2 PHE B 49 11.931 5.290 -8.258 1.00 1.06 H new ATOM 0 HE1 PHE B 49 12.155 4.267 -3.457 1.00 0.87 H new ATOM 0 HE2 PHE B 49 12.010 2.959 -7.508 1.00 1.27 H new ATOM 0 HZ PHE B 49 12.132 2.441 -5.107 1.00 0.85 H new ATOM 2026 N LYS B 50 13.254 9.059 -9.131 1.00 0.50 N ATOM 2027 CA LYS B 50 13.621 9.174 -10.536 1.00 0.54 C ATOM 2028 C LYS B 50 15.105 9.487 -10.670 1.00 0.53 C ATOM 2029 O LYS B 50 15.796 8.930 -11.529 1.00 0.52 O ATOM 2030 CB LYS B 50 12.785 10.260 -11.217 1.00 0.63 C ATOM 2031 CG LYS B 50 11.402 9.792 -11.641 1.00 0.91 C ATOM 2032 CD LYS B 50 11.472 8.507 -12.449 1.00 1.54 C ATOM 2033 CE LYS B 50 11.137 8.751 -13.909 1.00 2.02 C ATOM 2034 NZ LYS B 50 12.175 8.201 -14.814 1.00 2.55 N ATOM 0 H LYS B 50 12.578 9.755 -8.815 1.00 0.50 H new ATOM 0 HA LYS B 50 13.420 8.222 -11.027 1.00 0.54 H new ATOM 0 HB2 LYS B 50 12.680 11.105 -10.537 1.00 0.63 H new ATOM 0 HB3 LYS B 50 13.321 10.622 -12.094 1.00 0.63 H new ATOM 0 HG2 LYS B 50 10.784 9.634 -10.757 1.00 0.91 H new ATOM 0 HG3 LYS B 50 10.919 10.569 -12.233 1.00 0.91 H new ATOM 0 HD2 LYS B 50 12.472 8.080 -12.370 1.00 1.54 H new ATOM 0 HD3 LYS B 50 10.779 7.776 -12.033 1.00 1.54 H new ATOM 0 HE2 LYS B 50 10.174 8.296 -14.142 1.00 2.02 H new ATOM 0 HE3 LYS B 50 11.034 9.822 -14.084 1.00 2.02 H new ATOM 0 HZ1 LYS B 50 11.909 8.388 -15.802 1.00 2.55 H new ATOM 0 HZ2 LYS B 50 13.089 8.654 -14.610 1.00 2.55 H new ATOM 0 HZ3 LYS B 50 12.256 7.175 -14.666 1.00 2.55 H new ATOM 2048 N ALA B 51 15.603 10.318 -9.762 1.00 0.56 N ATOM 2049 CA ALA B 51 17.019 10.642 -9.714 1.00 0.61 C ATOM 2050 C ALA B 51 17.834 9.409 -9.342 1.00 0.57 C ATOM 2051 O ALA B 51 18.839 9.106 -9.980 1.00 0.58 O ATOM 2052 CB ALA B 51 17.267 11.766 -8.722 1.00 0.71 C ATOM 0 H ALA B 51 15.042 10.780 -9.047 1.00 0.56 H new ATOM 0 HA ALA B 51 17.335 10.976 -10.702 1.00 0.61 H new ATOM 0 HB1 ALA B 51 18.331 11.999 -8.695 1.00 0.71 H new ATOM 0 HB2 ALA B 51 16.709 12.651 -9.028 1.00 0.71 H new ATOM 0 HB3 ALA B 51 16.939 11.455 -7.730 1.00 0.71 H new ATOM 2058 N ALA B 52 17.362 8.676 -8.337 1.00 0.55 N ATOM 2059 CA ALA B 52 18.020 7.451 -7.895 1.00 0.59 C ATOM 2060 C ALA B 52 18.060 6.414 -9.016 1.00 0.51 C ATOM 2061 O ALA B 52 19.080 5.760 -9.228 1.00 0.54 O ATOM 2062 CB ALA B 52 17.318 6.883 -6.672 1.00 0.67 C ATOM 0 H ALA B 52 16.521 8.912 -7.811 1.00 0.55 H new ATOM 0 HA ALA B 52 19.047 7.698 -7.626 1.00 0.59 H new ATOM 0 HB1 ALA B 52 17.821 5.970 -6.355 1.00 0.67 H new ATOM 0 HB2 ALA B 52 17.348 7.613 -5.863 1.00 0.67 H new ATOM 0 HB3 ALA B 52 16.280 6.658 -6.920 1.00 0.67 H new ATOM 2068 N CYS B 53 16.961 6.308 -9.761 1.00 0.48 N ATOM 2069 CA CYS B 53 16.884 5.385 -10.891 1.00 0.53 C ATOM 2070 C CYS B 53 17.967 5.698 -11.916 1.00 0.50 C ATOM 2071 O CYS B 53 18.616 4.797 -12.447 1.00 0.56 O ATOM 2072 CB CYS B 53 15.508 5.463 -11.561 1.00 0.68 C ATOM 2073 SG CYS B 53 14.126 5.042 -10.475 1.00 1.15 S ATOM 0 H CYS B 53 16.112 6.850 -9.602 1.00 0.48 H new ATOM 0 HA CYS B 53 17.037 4.376 -10.509 1.00 0.53 H new ATOM 0 HB2 CYS B 53 15.360 6.473 -11.943 1.00 0.68 H new ATOM 0 HB3 CYS B 53 15.497 4.792 -12.420 1.00 0.68 H new ATOM 0 HG CYS B 53 14.058 5.904 -9.505 1.00 1.15 H new ATOM 2079 N ALA B 54 18.170 6.982 -12.175 1.00 0.51 N ATOM 2080 CA ALA B 54 19.174 7.422 -13.133 1.00 0.59 C ATOM 2081 C ALA B 54 20.580 7.305 -12.553 1.00 0.59 C ATOM 2082 O ALA B 54 21.516 6.911 -13.251 1.00 0.70 O ATOM 2083 CB ALA B 54 18.894 8.851 -13.565 1.00 0.69 C ATOM 0 H ALA B 54 17.650 7.740 -11.733 1.00 0.51 H new ATOM 0 HA ALA B 54 19.119 6.771 -14.006 1.00 0.59 H new ATOM 0 HB1 ALA B 54 19.651 9.170 -14.281 1.00 0.69 H new ATOM 0 HB2 ALA B 54 17.909 8.904 -14.030 1.00 0.69 H new ATOM 0 HB3 ALA B 54 18.920 9.506 -12.694 1.00 0.69 H new ATOM 2089 N ARG B 55 20.728 7.672 -11.287 1.00 0.55 N ATOM 2090 CA ARG B 55 22.028 7.641 -10.625 1.00 0.64 C ATOM 2091 C ARG B 55 22.536 6.212 -10.483 1.00 0.59 C ATOM 2092 O ARG B 55 23.680 5.913 -10.828 1.00 0.76 O ATOM 2093 CB ARG B 55 21.946 8.314 -9.255 1.00 0.72 C ATOM 2094 CG ARG B 55 22.033 9.830 -9.322 1.00 1.03 C ATOM 2095 CD ARG B 55 22.061 10.454 -7.936 1.00 1.37 C ATOM 2096 NE ARG B 55 23.325 11.143 -7.671 1.00 1.97 N ATOM 2097 CZ ARG B 55 23.852 11.307 -6.457 1.00 2.64 C ATOM 2098 NH1 ARG B 55 23.192 10.893 -5.379 1.00 2.89 N ATOM 2099 NH2 ARG B 55 25.036 11.892 -6.326 1.00 3.60 N ATOM 0 H ARG B 55 19.963 7.996 -10.696 1.00 0.55 H new ATOM 0 HA ARG B 55 22.735 8.192 -11.245 1.00 0.64 H new ATOM 0 HB2 ARG B 55 21.009 8.032 -8.775 1.00 0.72 H new ATOM 0 HB3 ARG B 55 22.752 7.939 -8.625 1.00 0.72 H new ATOM 0 HG2 ARG B 55 22.930 10.119 -9.869 1.00 1.03 H new ATOM 0 HG3 ARG B 55 21.181 10.219 -9.879 1.00 1.03 H new ATOM 0 HD2 ARG B 55 21.236 11.160 -7.839 1.00 1.37 H new ATOM 0 HD3 ARG B 55 21.907 9.678 -7.186 1.00 1.37 H new ATOM 0 HE ARG B 55 23.837 11.523 -8.468 1.00 1.97 H new ATOM 0 HH11 ARG B 55 22.280 10.448 -5.479 1.00 2.89 H new ATOM 0 HH12 ARG B 55 23.598 11.020 -4.452 1.00 2.89 H new ATOM 0 HH21 ARG B 55 25.540 12.214 -7.152 1.00 3.60 H new ATOM 0 HH22 ARG B 55 25.442 12.019 -5.399 1.00 3.60 H new ATOM 2113 N LYS B 56 21.662 5.320 -10.036 1.00 0.47 N ATOM 2114 CA LYS B 56 22.001 3.908 -9.908 1.00 0.52 C ATOM 2115 C LYS B 56 22.082 3.253 -11.285 1.00 0.51 C ATOM 2116 O LYS B 56 22.951 2.419 -11.541 1.00 0.60 O ATOM 2117 CB LYS B 56 20.966 3.186 -9.039 1.00 0.61 C ATOM 2118 CG LYS B 56 21.192 3.366 -7.546 1.00 0.74 C ATOM 2119 CD LYS B 56 22.480 2.696 -7.094 1.00 0.91 C ATOM 2120 CE LYS B 56 22.757 2.934 -5.620 1.00 1.62 C ATOM 2121 NZ LYS B 56 24.053 3.626 -5.408 1.00 1.85 N ATOM 0 H LYS B 56 20.709 5.550 -9.755 1.00 0.47 H new ATOM 0 HA LYS B 56 22.976 3.830 -9.426 1.00 0.52 H new ATOM 0 HB2 LYS B 56 19.971 3.552 -9.294 1.00 0.61 H new ATOM 0 HB3 LYS B 56 20.985 2.122 -9.275 1.00 0.61 H new ATOM 0 HG2 LYS B 56 21.230 4.429 -7.308 1.00 0.74 H new ATOM 0 HG3 LYS B 56 20.350 2.946 -6.996 1.00 0.74 H new ATOM 0 HD2 LYS B 56 22.417 1.624 -7.283 1.00 0.91 H new ATOM 0 HD3 LYS B 56 23.313 3.075 -7.686 1.00 0.91 H new ATOM 0 HE2 LYS B 56 21.952 3.530 -5.190 1.00 1.62 H new ATOM 0 HE3 LYS B 56 22.764 1.980 -5.093 1.00 1.62 H new ATOM 0 HZ1 LYS B 56 24.207 3.771 -4.390 1.00 1.85 H new ATOM 0 HZ2 LYS B 56 24.824 3.045 -5.796 1.00 1.85 H new ATOM 0 HZ3 LYS B 56 24.038 4.547 -5.890 1.00 1.85 H new ATOM 2135 N GLY B 57 21.178 3.653 -12.171 1.00 0.46 N ATOM 2136 CA GLY B 57 21.154 3.098 -13.509 1.00 0.51 C ATOM 2137 C GLY B 57 20.326 1.834 -13.577 1.00 0.59 C ATOM 2138 O GLY B 57 20.867 0.740 -13.748 1.00 0.75 O ATOM 0 H GLY B 57 20.460 4.353 -11.985 1.00 0.46 H new ATOM 0 HA2 GLY B 57 20.749 3.836 -14.202 1.00 0.51 H new ATOM 0 HA3 GLY B 57 22.173 2.883 -13.832 1.00 0.51 H new ATOM 2142 N THR B 58 19.023 1.978 -13.376 1.00 0.63 N ATOM 2143 CA THR B 58 18.122 0.838 -13.352 1.00 0.77 C ATOM 2144 C THR B 58 16.662 1.293 -13.457 1.00 0.62 C ATOM 2145 O THR B 58 16.383 2.477 -13.669 1.00 0.57 O ATOM 2146 CB THR B 58 18.340 0.003 -12.067 1.00 1.02 C ATOM 2147 OG1 THR B 58 17.720 -1.285 -12.192 1.00 1.92 O ATOM 2148 CG2 THR B 58 17.800 0.721 -10.836 1.00 0.92 C ATOM 0 H THR B 58 18.567 2.878 -13.227 1.00 0.63 H new ATOM 0 HA THR B 58 18.344 0.210 -14.215 1.00 0.77 H new ATOM 0 HB THR B 58 19.415 -0.128 -11.940 1.00 1.02 H new ATOM 0 HG1 THR B 58 17.765 -1.755 -11.333 1.00 1.92 H new ATOM 0 HG21 THR B 58 17.970 0.106 -9.952 1.00 0.92 H new ATOM 0 HG22 THR B 58 18.312 1.676 -10.718 1.00 0.92 H new ATOM 0 HG23 THR B 58 16.731 0.895 -10.956 1.00 0.92 H new ATOM 2156 N SER B 59 15.739 0.344 -13.350 1.00 0.66 N ATOM 2157 CA SER B 59 14.319 0.630 -13.453 1.00 0.66 C ATOM 2158 C SER B 59 13.749 1.014 -12.091 1.00 0.62 C ATOM 2159 O SER B 59 14.326 0.676 -11.054 1.00 0.66 O ATOM 2160 CB SER B 59 13.592 -0.588 -14.019 1.00 0.78 C ATOM 2161 OG SER B 59 14.466 -1.704 -14.107 1.00 0.87 O ATOM 0 H SER B 59 15.956 -0.640 -13.190 1.00 0.66 H new ATOM 0 HA SER B 59 14.173 1.474 -14.127 1.00 0.66 H new ATOM 0 HB2 SER B 59 12.741 -0.836 -13.384 1.00 0.78 H new ATOM 0 HB3 SER B 59 13.195 -0.353 -15.007 1.00 0.78 H new ATOM 0 HG SER B 59 14.641 -2.054 -13.209 1.00 0.87 H new ATOM 2167 N ILE B 60 12.656 1.768 -12.103 1.00 0.66 N ATOM 2168 CA ILE B 60 12.048 2.283 -10.879 1.00 0.73 C ATOM 2169 C ILE B 60 11.733 1.166 -9.879 1.00 0.76 C ATOM 2170 O ILE B 60 12.030 1.284 -8.690 1.00 0.85 O ATOM 2171 CB ILE B 60 10.764 3.098 -11.190 1.00 0.85 C ATOM 2172 CG1 ILE B 60 10.072 3.537 -9.897 1.00 0.97 C ATOM 2173 CG2 ILE B 60 9.798 2.304 -12.063 1.00 1.00 C ATOM 2174 CD1 ILE B 60 9.626 4.985 -9.910 1.00 0.91 C ATOM 0 H ILE B 60 12.167 2.039 -12.956 1.00 0.66 H new ATOM 0 HA ILE B 60 12.782 2.946 -10.420 1.00 0.73 H new ATOM 0 HB ILE B 60 11.067 3.987 -11.744 1.00 0.85 H new ATOM 0 HG12 ILE B 60 9.205 2.900 -9.724 1.00 0.97 H new ATOM 0 HG13 ILE B 60 10.753 3.383 -9.060 1.00 0.97 H new ATOM 0 HG21 ILE B 60 8.910 2.904 -12.262 1.00 1.00 H new ATOM 0 HG22 ILE B 60 10.283 2.051 -13.006 1.00 1.00 H new ATOM 0 HG23 ILE B 60 9.509 1.389 -11.547 1.00 1.00 H new ATOM 0 HD11 ILE B 60 9.144 5.226 -8.962 1.00 0.91 H new ATOM 0 HD12 ILE B 60 10.492 5.631 -10.051 1.00 0.91 H new ATOM 0 HD13 ILE B 60 8.920 5.141 -10.726 1.00 0.91 H new ATOM 2186 N THR B 61 11.149 0.078 -10.362 1.00 0.79 N ATOM 2187 CA THR B 61 10.749 -1.025 -9.502 1.00 0.85 C ATOM 2188 C THR B 61 11.955 -1.713 -8.849 1.00 0.77 C ATOM 2189 O THR B 61 11.867 -2.203 -7.718 1.00 0.75 O ATOM 2190 CB THR B 61 9.925 -2.048 -10.298 1.00 1.01 C ATOM 2191 OG1 THR B 61 9.264 -1.381 -11.383 1.00 1.12 O ATOM 2192 CG2 THR B 61 8.889 -2.722 -9.413 1.00 1.14 C ATOM 0 H THR B 61 10.941 -0.064 -11.351 1.00 0.79 H new ATOM 0 HA THR B 61 10.136 -0.609 -8.703 1.00 0.85 H new ATOM 0 HB THR B 61 10.600 -2.814 -10.681 1.00 1.01 H new ATOM 0 HG1 THR B 61 8.738 -2.031 -11.895 1.00 1.12 H new ATOM 0 HG21 THR B 61 8.320 -3.441 -10.002 1.00 1.14 H new ATOM 0 HG22 THR B 61 9.390 -3.239 -8.595 1.00 1.14 H new ATOM 0 HG23 THR B 61 8.213 -1.970 -9.007 1.00 1.14 H new ATOM 2200 N ASP B 62 13.088 -1.710 -9.543 1.00 0.74 N ATOM 2201 CA ASP B 62 14.308 -2.312 -9.019 1.00 0.73 C ATOM 2202 C ASP B 62 14.859 -1.486 -7.864 1.00 0.62 C ATOM 2203 O ASP B 62 15.346 -2.037 -6.877 1.00 0.61 O ATOM 2204 CB ASP B 62 15.359 -2.441 -10.124 1.00 0.82 C ATOM 2205 CG ASP B 62 16.605 -3.182 -9.673 1.00 1.16 C ATOM 2206 OD1 ASP B 62 16.482 -4.232 -9.007 1.00 1.68 O ATOM 2207 OD2 ASP B 62 17.720 -2.728 -10.004 1.00 1.81 O ATOM 0 H ASP B 62 13.187 -1.297 -10.470 1.00 0.74 H new ATOM 0 HA ASP B 62 14.066 -3.308 -8.649 1.00 0.73 H new ATOM 0 HB2 ASP B 62 14.921 -2.962 -10.975 1.00 0.82 H new ATOM 0 HB3 ASP B 62 15.640 -1.446 -10.469 1.00 0.82 H new ATOM 2212 N VAL B 63 14.680 -0.171 -7.946 1.00 0.60 N ATOM 2213 CA VAL B 63 15.089 0.722 -6.868 1.00 0.57 C ATOM 2214 C VAL B 63 14.256 0.473 -5.620 1.00 0.56 C ATOM 2215 O VAL B 63 14.781 0.481 -4.507 1.00 0.59 O ATOM 2216 CB VAL B 63 14.963 2.211 -7.257 1.00 0.62 C ATOM 2217 CG1 VAL B 63 15.741 3.086 -6.286 1.00 0.81 C ATOM 2218 CG2 VAL B 63 15.441 2.443 -8.678 1.00 1.01 C ATOM 0 H VAL B 63 14.255 0.299 -8.746 1.00 0.60 H new ATOM 0 HA VAL B 63 16.139 0.505 -6.671 1.00 0.57 H new ATOM 0 HB VAL B 63 13.909 2.485 -7.203 1.00 0.62 H new ATOM 0 HG11 VAL B 63 15.640 4.132 -6.577 1.00 0.81 H new ATOM 0 HG12 VAL B 63 15.348 2.950 -5.279 1.00 0.81 H new ATOM 0 HG13 VAL B 63 16.794 2.804 -6.306 1.00 0.81 H new ATOM 0 HG21 VAL B 63 15.342 3.499 -8.927 1.00 1.01 H new ATOM 0 HG22 VAL B 63 16.486 2.147 -8.763 1.00 1.01 H new ATOM 0 HG23 VAL B 63 14.839 1.850 -9.366 1.00 1.01 H new ATOM 2228 N VAL B 64 12.965 0.208 -5.807 1.00 0.55 N ATOM 2229 CA VAL B 64 12.088 -0.079 -4.679 1.00 0.56 C ATOM 2230 C VAL B 64 12.542 -1.345 -3.970 1.00 0.55 C ATOM 2231 O VAL B 64 12.600 -1.400 -2.742 1.00 0.57 O ATOM 2232 CB VAL B 64 10.607 -0.237 -5.086 1.00 0.57 C ATOM 2233 CG1 VAL B 64 9.702 0.053 -3.899 1.00 0.73 C ATOM 2234 CG2 VAL B 64 10.249 0.673 -6.249 1.00 0.67 C ATOM 0 H VAL B 64 12.509 0.186 -6.719 1.00 0.55 H new ATOM 0 HA VAL B 64 12.157 0.781 -4.013 1.00 0.56 H new ATOM 0 HB VAL B 64 10.459 -1.268 -5.408 1.00 0.57 H new ATOM 0 HG11 VAL B 64 8.660 -0.062 -4.199 1.00 0.73 H new ATOM 0 HG12 VAL B 64 9.926 -0.644 -3.092 1.00 0.73 H new ATOM 0 HG13 VAL B 64 9.870 1.073 -3.554 1.00 0.73 H new ATOM 0 HG21 VAL B 64 9.199 0.536 -6.509 1.00 0.67 H new ATOM 0 HG22 VAL B 64 10.419 1.711 -5.964 1.00 0.67 H new ATOM 0 HG23 VAL B 64 10.871 0.426 -7.109 1.00 0.67 H new ATOM 2244 N ASN B 65 12.956 -2.326 -4.758 1.00 0.55 N ATOM 2245 CA ASN B 65 13.478 -3.573 -4.218 1.00 0.56 C ATOM 2246 C ASN B 65 14.812 -3.340 -3.504 1.00 0.56 C ATOM 2247 O ASN B 65 15.145 -4.043 -2.550 1.00 0.56 O ATOM 2248 CB ASN B 65 13.644 -4.610 -5.330 1.00 0.58 C ATOM 2249 CG ASN B 65 13.224 -5.998 -4.892 1.00 0.77 C ATOM 2250 OD1 ASN B 65 13.625 -6.475 -3.835 1.00 0.86 O ATOM 2251 ND2 ASN B 65 12.411 -6.660 -5.703 1.00 1.46 N ATOM 0 H ASN B 65 12.941 -2.282 -5.777 1.00 0.55 H new ATOM 0 HA ASN B 65 12.762 -3.954 -3.490 1.00 0.56 H new ATOM 0 HB2 ASN B 65 13.052 -4.310 -6.194 1.00 0.58 H new ATOM 0 HB3 ASN B 65 14.686 -4.632 -5.650 1.00 0.58 H new ATOM 0 HD21 ASN B 65 12.098 -7.599 -5.456 1.00 1.46 H new ATOM 0 HD22 ASN B 65 12.099 -6.231 -6.574 1.00 1.46 H new ATOM 2258 N GLN B 66 15.542 -2.317 -3.938 1.00 0.58 N ATOM 2259 CA GLN B 66 16.820 -1.961 -3.321 1.00 0.60 C ATOM 2260 C GLN B 66 16.616 -1.406 -1.914 1.00 0.58 C ATOM 2261 O GLN B 66 17.340 -1.773 -0.982 1.00 0.61 O ATOM 2262 CB GLN B 66 17.557 -0.932 -4.177 1.00 0.65 C ATOM 2263 CG GLN B 66 18.416 -1.551 -5.263 1.00 0.84 C ATOM 2264 CD GLN B 66 19.746 -2.053 -4.740 1.00 1.25 C ATOM 2265 OE1 GLN B 66 20.339 -1.458 -3.841 1.00 2.01 O ATOM 2266 NE2 GLN B 66 20.221 -3.153 -5.297 1.00 1.70 N ATOM 0 H GLN B 66 15.271 -1.717 -4.717 1.00 0.58 H new ATOM 0 HA GLN B 66 17.420 -2.868 -3.252 1.00 0.60 H new ATOM 0 HB2 GLN B 66 16.828 -0.265 -4.638 1.00 0.65 H new ATOM 0 HB3 GLN B 66 18.187 -0.319 -3.532 1.00 0.65 H new ATOM 0 HG2 GLN B 66 17.875 -2.379 -5.721 1.00 0.84 H new ATOM 0 HG3 GLN B 66 18.593 -0.813 -6.046 1.00 0.84 H new ATOM 0 HE21 GLN B 66 19.697 -3.616 -6.040 1.00 1.70 H new ATOM 0 HE22 GLN B 66 21.111 -3.540 -4.984 1.00 1.70 H new ATOM 2275 N LEU B 67 15.610 -0.548 -1.748 1.00 0.55 N ATOM 2276 CA LEU B 67 15.296 -0.004 -0.431 1.00 0.55 C ATOM 2277 C LEU B 67 14.880 -1.134 0.503 1.00 0.50 C ATOM 2278 O LEU B 67 15.317 -1.200 1.651 1.00 0.50 O ATOM 2279 CB LEU B 67 14.180 1.044 -0.489 1.00 0.57 C ATOM 2280 CG LEU B 67 13.858 1.618 -1.867 1.00 0.64 C ATOM 2281 CD1 LEU B 67 12.361 1.744 -2.040 1.00 0.97 C ATOM 2282 CD2 LEU B 67 14.517 2.972 -2.058 1.00 0.67 C ATOM 0 H LEU B 67 15.006 -0.219 -2.501 1.00 0.55 H new ATOM 0 HA LEU B 67 16.194 0.487 -0.057 1.00 0.55 H new ATOM 0 HB2 LEU B 67 13.272 0.598 -0.084 1.00 0.57 H new ATOM 0 HB3 LEU B 67 14.452 1.869 0.170 1.00 0.57 H new ATOM 0 HG LEU B 67 14.251 0.936 -2.621 1.00 0.64 H new ATOM 0 HD11 LEU B 67 12.142 2.154 -3.026 1.00 0.97 H new ATOM 0 HD12 LEU B 67 11.900 0.761 -1.945 1.00 0.97 H new ATOM 0 HD13 LEU B 67 11.961 2.408 -1.274 1.00 0.97 H new ATOM 0 HD21 LEU B 67 14.272 3.359 -3.047 1.00 0.67 H new ATOM 0 HD22 LEU B 67 14.155 3.664 -1.297 1.00 0.67 H new ATOM 0 HD23 LEU B 67 15.598 2.867 -1.967 1.00 0.67 H new ATOM 2294 N VAL B 68 14.073 -2.055 -0.025 1.00 0.48 N ATOM 2295 CA VAL B 68 13.629 -3.212 0.743 1.00 0.45 C ATOM 2296 C VAL B 68 14.803 -4.112 1.097 1.00 0.42 C ATOM 2297 O VAL B 68 14.838 -4.689 2.179 1.00 0.40 O ATOM 2298 CB VAL B 68 12.579 -4.047 -0.015 1.00 0.46 C ATOM 2299 CG1 VAL B 68 12.051 -5.168 0.867 1.00 0.99 C ATOM 2300 CG2 VAL B 68 11.439 -3.169 -0.487 1.00 1.07 C ATOM 0 H VAL B 68 13.716 -2.020 -0.980 1.00 0.48 H new ATOM 0 HA VAL B 68 13.173 -2.819 1.651 1.00 0.45 H new ATOM 0 HB VAL B 68 13.060 -4.489 -0.888 1.00 0.46 H new ATOM 0 HG11 VAL B 68 11.311 -5.747 0.315 1.00 0.99 H new ATOM 0 HG12 VAL B 68 12.875 -5.818 1.161 1.00 0.99 H new ATOM 0 HG13 VAL B 68 11.589 -4.743 1.758 1.00 0.99 H new ATOM 0 HG21 VAL B 68 10.708 -3.777 -1.020 1.00 1.07 H new ATOM 0 HG22 VAL B 68 10.962 -2.699 0.373 1.00 1.07 H new ATOM 0 HG23 VAL B 68 11.825 -2.398 -1.154 1.00 1.07 H new ATOM 2310 N ASP B 69 15.762 -4.217 0.182 1.00 0.47 N ATOM 2311 CA ASP B 69 16.955 -5.030 0.404 1.00 0.49 C ATOM 2312 C ASP B 69 17.645 -4.611 1.685 1.00 0.48 C ATOM 2313 O ASP B 69 17.819 -5.405 2.609 1.00 0.49 O ATOM 2314 CB ASP B 69 17.948 -4.881 -0.752 1.00 0.60 C ATOM 2315 CG ASP B 69 17.883 -6.037 -1.726 1.00 0.84 C ATOM 2316 OD1 ASP B 69 17.543 -7.164 -1.302 1.00 1.09 O ATOM 2317 OD2 ASP B 69 18.175 -5.833 -2.923 1.00 1.46 O ATOM 0 H ASP B 69 15.737 -3.748 -0.723 1.00 0.47 H new ATOM 0 HA ASP B 69 16.634 -6.069 0.472 1.00 0.49 H new ATOM 0 HB2 ASP B 69 17.745 -3.951 -1.283 1.00 0.60 H new ATOM 0 HB3 ASP B 69 18.959 -4.805 -0.351 1.00 0.60 H new ATOM 2322 N ASN B 70 18.008 -3.343 1.735 1.00 0.55 N ATOM 2323 CA ASN B 70 18.702 -2.784 2.882 1.00 0.61 C ATOM 2324 C ASN B 70 17.828 -2.843 4.130 1.00 0.56 C ATOM 2325 O ASN B 70 18.304 -3.181 5.209 1.00 0.60 O ATOM 2326 CB ASN B 70 19.129 -1.345 2.586 1.00 0.74 C ATOM 2327 CG ASN B 70 20.284 -1.289 1.601 1.00 1.37 C ATOM 2328 OD1 ASN B 70 21.441 -1.141 1.992 1.00 1.88 O ATOM 2329 ND2 ASN B 70 19.978 -1.408 0.314 1.00 2.19 N ATOM 0 H ASN B 70 17.832 -2.674 0.986 1.00 0.55 H new ATOM 0 HA ASN B 70 19.594 -3.381 3.072 1.00 0.61 H new ATOM 0 HB2 ASN B 70 18.281 -0.790 2.184 1.00 0.74 H new ATOM 0 HB3 ASN B 70 19.420 -0.854 3.515 1.00 0.74 H new ATOM 0 HD21 ASN B 70 20.715 -1.378 -0.390 1.00 2.19 H new ATOM 0 HD22 ASN B 70 19.006 -1.529 0.030 1.00 2.19 H new ATOM 2336 N TRP B 71 16.541 -2.567 3.967 1.00 0.54 N ATOM 2337 CA TRP B 71 15.601 -2.621 5.082 1.00 0.54 C ATOM 2338 C TRP B 71 15.492 -4.033 5.649 1.00 0.47 C ATOM 2339 O TRP B 71 15.696 -4.253 6.837 1.00 0.53 O ATOM 2340 CB TRP B 71 14.216 -2.155 4.629 1.00 0.57 C ATOM 2341 CG TRP B 71 13.236 -1.995 5.754 1.00 0.64 C ATOM 2342 CD1 TRP B 71 13.045 -0.879 6.510 1.00 0.81 C ATOM 2343 CD2 TRP B 71 12.301 -2.970 6.237 1.00 0.61 C ATOM 2344 NE1 TRP B 71 12.066 -1.099 7.444 1.00 0.86 N ATOM 2345 CE2 TRP B 71 11.591 -2.373 7.296 1.00 0.75 C ATOM 2346 CE3 TRP B 71 11.991 -4.286 5.879 1.00 0.53 C ATOM 2347 CZ2 TRP B 71 10.600 -3.048 8.003 1.00 0.80 C ATOM 2348 CZ3 TRP B 71 11.003 -4.952 6.578 1.00 0.62 C ATOM 2349 CH2 TRP B 71 10.314 -4.331 7.630 1.00 0.74 C ATOM 0 H TRP B 71 16.123 -2.304 3.075 1.00 0.54 H new ATOM 0 HA TRP B 71 15.978 -1.959 5.862 1.00 0.54 H new ATOM 0 HB2 TRP B 71 14.315 -1.203 4.107 1.00 0.57 H new ATOM 0 HB3 TRP B 71 13.818 -2.872 3.911 1.00 0.57 H new ATOM 0 HD1 TRP B 71 13.587 0.047 6.391 1.00 0.81 H new ATOM 0 HE1 TRP B 71 11.744 -0.423 8.137 1.00 0.86 H new ATOM 0 HE3 TRP B 71 12.515 -4.773 5.070 1.00 0.53 H new ATOM 0 HZ2 TRP B 71 10.075 -2.574 8.819 1.00 0.80 H new ATOM 0 HZ3 TRP B 71 10.757 -5.969 6.310 1.00 0.62 H new ATOM 0 HH2 TRP B 71 9.544 -4.877 8.155 1.00 0.74 H new ATOM 2360 N LEU B 72 15.056 -4.956 4.811 1.00 0.42 N ATOM 2361 CA LEU B 72 14.745 -6.314 5.238 1.00 0.44 C ATOM 2362 C LEU B 72 15.934 -7.009 5.886 1.00 0.55 C ATOM 2363 O LEU B 72 15.769 -7.770 6.837 1.00 0.65 O ATOM 2364 CB LEU B 72 14.271 -7.130 4.038 1.00 0.50 C ATOM 2365 CG LEU B 72 13.194 -8.167 4.346 1.00 0.47 C ATOM 2366 CD1 LEU B 72 11.860 -7.729 3.773 1.00 0.58 C ATOM 2367 CD2 LEU B 72 13.590 -9.523 3.791 1.00 0.60 C ATOM 0 H LEU B 72 14.907 -4.789 3.816 1.00 0.42 H new ATOM 0 HA LEU B 72 13.958 -6.246 5.989 1.00 0.44 H new ATOM 0 HB2 LEU B 72 13.889 -6.445 3.281 1.00 0.50 H new ATOM 0 HB3 LEU B 72 15.130 -7.640 3.602 1.00 0.50 H new ATOM 0 HG LEU B 72 13.095 -8.253 5.428 1.00 0.47 H new ATOM 0 HD11 LEU B 72 11.102 -8.479 4.001 1.00 0.58 H new ATOM 0 HD12 LEU B 72 11.570 -6.775 4.213 1.00 0.58 H new ATOM 0 HD13 LEU B 72 11.947 -7.618 2.692 1.00 0.58 H new ATOM 0 HD21 LEU B 72 12.811 -10.251 4.019 1.00 0.60 H new ATOM 0 HD22 LEU B 72 13.715 -9.452 2.711 1.00 0.60 H new ATOM 0 HD23 LEU B 72 14.529 -9.842 4.244 1.00 0.60 H new ATOM 2379 N LYS B 73 17.106 -6.839 5.303 1.00 0.63 N ATOM 2380 CA LYS B 73 18.270 -7.581 5.748 1.00 0.83 C ATOM 2381 C LYS B 73 18.985 -6.889 6.910 1.00 0.97 C ATOM 2382 O LYS B 73 19.673 -7.544 7.691 1.00 1.13 O ATOM 2383 CB LYS B 73 19.217 -7.808 4.568 1.00 0.96 C ATOM 2384 CG LYS B 73 18.519 -8.427 3.361 1.00 0.92 C ATOM 2385 CD LYS B 73 19.206 -8.046 2.058 1.00 1.16 C ATOM 2386 CE LYS B 73 19.207 -9.198 1.068 1.00 1.41 C ATOM 2387 NZ LYS B 73 19.460 -8.739 -0.325 1.00 1.79 N ATOM 0 H LYS B 73 17.276 -6.199 4.527 1.00 0.63 H new ATOM 0 HA LYS B 73 17.934 -8.547 6.125 1.00 0.83 H new ATOM 0 HB2 LYS B 73 19.662 -6.856 4.276 1.00 0.96 H new ATOM 0 HB3 LYS B 73 20.033 -8.458 4.883 1.00 0.96 H new ATOM 0 HG2 LYS B 73 18.509 -9.512 3.463 1.00 0.92 H new ATOM 0 HG3 LYS B 73 17.480 -8.099 3.334 1.00 0.92 H new ATOM 0 HD2 LYS B 73 18.700 -7.187 1.617 1.00 1.16 H new ATOM 0 HD3 LYS B 73 20.232 -7.741 2.263 1.00 1.16 H new ATOM 0 HE2 LYS B 73 19.970 -9.921 1.355 1.00 1.41 H new ATOM 0 HE3 LYS B 73 18.247 -9.713 1.111 1.00 1.41 H new ATOM 0 HZ1 LYS B 73 19.402 -9.550 -0.974 1.00 1.79 H new ATOM 0 HZ2 LYS B 73 18.747 -8.030 -0.592 1.00 1.79 H new ATOM 0 HZ3 LYS B 73 20.408 -8.316 -0.384 1.00 1.79 H new ATOM 2401 N GLU B 74 18.825 -5.574 7.037 1.00 0.99 N ATOM 2402 CA GLU B 74 19.485 -4.845 8.120 1.00 1.22 C ATOM 2403 C GLU B 74 18.579 -4.705 9.344 1.00 1.27 C ATOM 2404 O GLU B 74 19.047 -4.780 10.480 1.00 1.50 O ATOM 2405 CB GLU B 74 19.937 -3.464 7.646 1.00 1.37 C ATOM 2406 CG GLU B 74 21.276 -3.478 6.925 1.00 1.81 C ATOM 2407 CD GLU B 74 22.445 -3.685 7.864 1.00 2.23 C ATOM 2408 OE1 GLU B 74 22.748 -4.849 8.196 1.00 2.78 O ATOM 2409 OE2 GLU B 74 23.070 -2.687 8.269 1.00 2.51 O ATOM 0 H GLU B 74 18.255 -4.999 6.417 1.00 0.99 H new ATOM 0 HA GLU B 74 20.360 -5.426 8.412 1.00 1.22 H new ATOM 0 HB2 GLU B 74 19.179 -3.051 6.980 1.00 1.37 H new ATOM 0 HB3 GLU B 74 20.003 -2.797 8.506 1.00 1.37 H new ATOM 0 HG2 GLU B 74 21.272 -4.270 6.176 1.00 1.81 H new ATOM 0 HG3 GLU B 74 21.406 -2.536 6.392 1.00 1.81 H new ATOM 2416 N ASN B 75 17.292 -4.465 9.116 1.00 1.11 N ATOM 2417 CA ASN B 75 16.346 -4.255 10.213 1.00 1.21 C ATOM 2418 C ASN B 75 16.128 -5.538 11.011 1.00 1.14 C ATOM 2419 O ASN B 75 15.781 -5.495 12.193 1.00 1.29 O ATOM 2420 CB ASN B 75 15.007 -3.712 9.683 1.00 1.28 C ATOM 2421 CG ASN B 75 13.892 -4.746 9.664 1.00 1.61 C ATOM 2422 OD1 ASN B 75 13.095 -4.829 10.594 1.00 1.88 O ATOM 2423 ND2 ASN B 75 13.820 -5.527 8.597 1.00 1.97 N ATOM 0 H ASN B 75 16.878 -4.411 8.185 1.00 1.11 H new ATOM 0 HA ASN B 75 16.777 -3.513 10.885 1.00 1.21 H new ATOM 0 HB2 ASN B 75 14.698 -2.868 10.300 1.00 1.28 H new ATOM 0 HB3 ASN B 75 15.154 -3.331 8.672 1.00 1.28 H new ATOM 0 HD21 ASN B 75 13.083 -6.229 8.527 1.00 1.97 H new ATOM 0 HD22 ASN B 75 14.502 -5.427 7.845 1.00 1.97 H new ATOM 2430 N GLU B 76 16.375 -6.675 10.377 1.00 1.01 N ATOM 2431 CA GLU B 76 16.204 -7.964 11.030 1.00 1.08 C ATOM 2432 C GLU B 76 17.553 -8.597 11.365 1.00 1.38 C ATOM 2433 O GLU B 76 18.384 -7.922 12.005 1.00 1.93 O ATOM 2434 CB GLU B 76 15.381 -8.894 10.134 1.00 1.36 C ATOM 2435 CG GLU B 76 13.893 -8.895 10.457 1.00 1.88 C ATOM 2436 CD GLU B 76 13.388 -10.264 10.857 1.00 2.20 C ATOM 2437 OE1 GLU B 76 13.420 -11.180 10.012 1.00 2.52 O ATOM 2438 OE2 GLU B 76 12.970 -10.436 12.022 1.00 2.67 O ATOM 2439 OXT GLU B 76 17.779 -9.774 11.000 1.00 1.90 O ATOM 0 H GLU B 76 16.695 -6.731 9.410 1.00 1.01 H new ATOM 0 HA GLU B 76 15.671 -7.808 11.968 1.00 1.08 H new ATOM 0 HB2 GLU B 76 15.518 -8.597 9.094 1.00 1.36 H new ATOM 0 HB3 GLU B 76 15.765 -9.910 10.229 1.00 1.36 H new ATOM 0 HG2 GLU B 76 13.699 -8.189 11.265 1.00 1.88 H new ATOM 0 HG3 GLU B 76 13.336 -8.545 9.588 1.00 1.88 H new