USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 583 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 Single : A 56 ASN : amide:sc=-0.000185 X(o=-0.00019,f=0.088) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 64:sc= 0.00203 USER MOD Single : A 92 GLN : amide:sc= 0.902 K(o=0.9,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00794 X(o=-0.0079,f=-0.0079) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.807 18.231 7.922 1.00 0.00 N ATOM 575 CA ASN A 56 -2.456 17.849 7.483 1.00 0.00 C ATOM 576 C ASN A 56 -2.045 16.441 7.957 1.00 0.00 C ATOM 577 O ASN A 56 -1.462 15.689 7.174 1.00 0.00 O ATOM 578 CB ASN A 56 -1.435 18.958 7.822 1.00 0.00 C ATOM 579 CG ASN A 56 -1.656 19.683 9.139 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.362 19.184 10.208 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.161 20.895 9.108 1.00 0.00 N ATOM 0 HA ASN A 56 -2.468 17.765 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.439 18.516 7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.447 19.694 7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.304 21.410 9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.410 21.321 8.215 1.00 0.00 H new ATOM 588 N SER A 57 -2.393 16.025 9.180 1.00 0.00 N ATOM 589 CA SER A 57 -2.136 14.661 9.678 1.00 0.00 C ATOM 590 C SER A 57 -2.969 13.625 8.908 1.00 0.00 C ATOM 591 O SER A 57 -2.473 12.551 8.565 1.00 0.00 O ATOM 592 CB SER A 57 -2.415 14.571 11.186 1.00 0.00 C ATOM 593 OG SER A 57 -3.806 14.609 11.471 1.00 0.00 O ATOM 0 H SER A 57 -2.863 16.625 9.858 1.00 0.00 H new ATOM 0 HA SER A 57 -1.083 14.436 9.511 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.989 13.648 11.579 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.917 15.395 11.697 1.00 0.00 H new ATOM 0 HG SER A 57 -3.943 14.548 12.439 1.00 0.00 H new ATOM 599 N HIS A 58 -4.220 13.961 8.554 1.00 0.00 N ATOM 600 CA HIS A 58 -5.087 13.110 7.727 1.00 0.00 C ATOM 601 C HIS A 58 -4.512 12.869 6.331 1.00 0.00 C ATOM 602 O HIS A 58 -4.641 11.756 5.835 1.00 0.00 O ATOM 603 CB HIS A 58 -6.503 13.694 7.630 1.00 0.00 C ATOM 604 CG HIS A 58 -7.444 12.873 6.780 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.145 13.331 5.678 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.720 11.542 6.939 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.835 12.288 5.171 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.592 11.191 5.922 1.00 0.00 N ATOM 0 H HIS A 58 -4.660 14.837 8.836 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.139 12.142 8.226 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.919 13.783 8.634 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.443 14.702 7.219 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.333 10.891 7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.478 12.324 4.304 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.984 10.262 5.766 1.00 0.00 H new ATOM 617 N PHE A 59 -3.843 13.852 5.714 1.00 0.00 N ATOM 618 CA PHE A 59 -3.183 13.664 4.414 1.00 0.00 C ATOM 619 C PHE A 59 -2.198 12.489 4.466 1.00 0.00 C ATOM 620 O PHE A 59 -2.237 11.609 3.605 1.00 0.00 O ATOM 621 CB PHE A 59 -2.474 14.952 3.968 1.00 0.00 C ATOM 622 CG PHE A 59 -2.134 14.974 2.488 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.000 14.290 2.007 1.00 0.00 C ATOM 624 CD2 PHE A 59 -2.960 15.672 1.585 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.689 14.312 0.636 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.644 15.701 0.214 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.508 15.022 -0.260 1.00 0.00 C ATOM 0 H PHE A 59 -3.744 14.792 6.097 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.951 13.429 3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.110 15.806 4.199 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.557 15.071 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.368 13.747 2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.838 16.186 1.946 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.179 13.783 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.274 16.245 -0.474 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.264 15.046 -1.312 1.00 0.00 H new ATOM 637 N PHE A 60 -1.358 12.446 5.507 1.00 0.00 N ATOM 638 CA PHE A 60 -0.431 11.343 5.752 1.00 0.00 C ATOM 639 C PHE A 60 -1.172 10.020 5.947 1.00 0.00 C ATOM 640 O PHE A 60 -0.911 9.074 5.211 1.00 0.00 O ATOM 641 CB PHE A 60 0.453 11.634 6.973 1.00 0.00 C ATOM 642 CG PHE A 60 1.232 10.418 7.446 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.109 9.765 6.561 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.002 9.871 8.724 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.733 8.570 6.947 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.648 8.684 9.117 1.00 0.00 C ATOM 647 CZ PHE A 60 2.508 8.028 8.220 1.00 0.00 C ATOM 0 H PHE A 60 -1.305 13.185 6.208 1.00 0.00 H new ATOM 0 HA PHE A 60 0.203 11.251 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.152 12.433 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.172 11.998 7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.302 10.184 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.326 10.365 9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.392 8.063 6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.483 8.279 10.104 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.994 7.109 8.511 1.00 0.00 H new ATOM 657 N VAL A 61 -2.102 9.936 6.908 1.00 0.00 N ATOM 658 CA VAL A 61 -2.843 8.690 7.178 1.00 0.00 C ATOM 659 C VAL A 61 -3.573 8.192 5.924 1.00 0.00 C ATOM 660 O VAL A 61 -3.558 6.997 5.647 1.00 0.00 O ATOM 661 CB VAL A 61 -3.812 8.839 8.371 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.575 7.537 8.657 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.049 9.203 9.652 1.00 0.00 C ATOM 0 H VAL A 61 -2.361 10.715 7.513 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.108 7.935 7.457 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.512 9.627 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.245 7.686 9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.157 7.256 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.865 6.744 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.752 9.303 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.328 8.418 9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.524 10.147 9.507 1.00 0.00 H new ATOM 673 N ALA A 62 -4.137 9.098 5.120 1.00 0.00 N ATOM 674 CA ALA A 62 -4.792 8.797 3.846 1.00 0.00 C ATOM 675 C ALA A 62 -3.814 8.164 2.842 1.00 0.00 C ATOM 676 O ALA A 62 -4.016 7.029 2.401 1.00 0.00 O ATOM 677 CB ALA A 62 -5.435 10.077 3.288 1.00 0.00 C ATOM 0 H ALA A 62 -4.150 10.093 5.346 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.575 8.059 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.923 9.855 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.173 10.452 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.665 10.833 3.132 1.00 0.00 H new ATOM 683 N THR A 63 -2.745 8.886 2.485 1.00 0.00 N ATOM 684 CA THR A 63 -1.749 8.416 1.510 1.00 0.00 C ATOM 685 C THR A 63 -1.026 7.147 1.988 1.00 0.00 C ATOM 686 O THR A 63 -0.866 6.208 1.211 1.00 0.00 O ATOM 687 CB THR A 63 -0.804 9.563 1.097 1.00 0.00 C ATOM 688 OG1 THR A 63 -0.146 9.252 -0.112 1.00 0.00 O ATOM 689 CG2 THR A 63 0.259 9.958 2.109 1.00 0.00 C ATOM 0 H THR A 63 -2.545 9.812 2.863 1.00 0.00 H new ATOM 0 HA THR A 63 -2.271 8.111 0.603 1.00 0.00 H new ATOM 0 HB THR A 63 -1.475 10.417 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.448 9.991 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.860 10.773 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.221 10.283 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.901 9.102 2.316 1.00 0.00 H new ATOM 697 N PHE A 64 -0.678 7.049 3.276 1.00 0.00 N ATOM 698 CA PHE A 64 -0.080 5.866 3.902 1.00 0.00 C ATOM 699 C PHE A 64 -1.013 4.644 3.862 1.00 0.00 C ATOM 700 O PHE A 64 -0.586 3.568 3.450 1.00 0.00 O ATOM 701 CB PHE A 64 0.336 6.193 5.346 1.00 0.00 C ATOM 702 CG PHE A 64 1.153 5.089 5.989 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.513 4.000 6.611 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.557 5.118 5.914 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.278 2.933 7.114 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.315 4.041 6.401 1.00 0.00 C ATOM 707 CZ PHE A 64 2.672 2.942 6.980 1.00 0.00 C ATOM 0 H PHE A 64 -0.810 7.818 3.933 1.00 0.00 H new ATOM 0 HA PHE A 64 0.805 5.598 3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.915 7.117 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.557 6.373 5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.563 3.984 6.702 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.055 5.973 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.789 2.104 7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.392 4.061 6.329 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.252 2.098 7.324 1.00 0.00 H new ATOM 717 N ALA A 65 -2.282 4.789 4.263 1.00 0.00 N ATOM 718 CA ALA A 65 -3.278 3.714 4.232 1.00 0.00 C ATOM 719 C ALA A 65 -3.482 3.145 2.815 1.00 0.00 C ATOM 720 O ALA A 65 -3.513 1.925 2.634 1.00 0.00 O ATOM 721 CB ALA A 65 -4.599 4.215 4.824 1.00 0.00 C ATOM 0 H ALA A 65 -2.650 5.670 4.623 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.903 2.892 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.336 3.413 4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.440 4.529 5.855 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.962 5.060 4.239 1.00 0.00 H new ATOM 727 N ARG A 66 -3.579 4.013 1.799 1.00 0.00 N ATOM 728 CA ARG A 66 -3.669 3.588 0.391 1.00 0.00 C ATOM 729 C ARG A 66 -2.381 2.938 -0.121 1.00 0.00 C ATOM 730 O ARG A 66 -2.452 1.937 -0.834 1.00 0.00 O ATOM 731 CB ARG A 66 -4.071 4.768 -0.506 1.00 0.00 C ATOM 732 CG ARG A 66 -5.525 5.203 -0.272 1.00 0.00 C ATOM 733 CD ARG A 66 -5.988 6.102 -1.423 1.00 0.00 C ATOM 734 NE ARG A 66 -7.370 6.580 -1.226 1.00 0.00 N ATOM 735 CZ ARG A 66 -8.226 6.948 -2.164 1.00 0.00 C ATOM 736 NH1 ARG A 66 -7.940 6.873 -3.434 1.00 0.00 N ATOM 737 NH2 ARG A 66 -9.401 7.407 -1.843 1.00 0.00 N ATOM 0 H ARG A 66 -3.597 5.025 1.926 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.444 2.823 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.406 5.610 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.940 4.489 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.170 4.327 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.607 5.737 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.317 6.957 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.925 5.552 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.701 6.632 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.030 6.521 -3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.626 7.166 -4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.667 7.485 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.055 7.689 -2.573 1.00 0.00 H new ATOM 751 N GLU A 67 -1.213 3.458 0.257 1.00 0.00 N ATOM 752 CA GLU A 67 0.085 2.891 -0.116 1.00 0.00 C ATOM 753 C GLU A 67 0.259 1.490 0.478 1.00 0.00 C ATOM 754 O GLU A 67 0.475 0.543 -0.280 1.00 0.00 O ATOM 755 CB GLU A 67 1.226 3.817 0.325 1.00 0.00 C ATOM 756 CG GLU A 67 1.497 4.996 -0.624 1.00 0.00 C ATOM 757 CD GLU A 67 2.305 4.625 -1.888 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.341 3.439 -2.296 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.906 5.541 -2.501 1.00 0.00 O ATOM 0 H GLU A 67 -1.140 4.294 0.837 1.00 0.00 H new ATOM 0 HA GLU A 67 0.119 2.802 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.995 4.210 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.138 3.228 0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.544 5.427 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.036 5.770 -0.077 1.00 0.00 H new ATOM 766 N ARG A 68 0.101 1.323 1.805 1.00 0.00 N ATOM 767 CA ARG A 68 0.218 0.010 2.470 1.00 0.00 C ATOM 768 C ARG A 68 -0.672 -1.041 1.803 1.00 0.00 C ATOM 769 O ARG A 68 -0.235 -2.164 1.567 1.00 0.00 O ATOM 770 CB ARG A 68 0.008 0.097 4.005 1.00 0.00 C ATOM 771 CG ARG A 68 -1.439 0.290 4.494 1.00 0.00 C ATOM 772 CD ARG A 68 -1.681 -0.084 5.964 1.00 0.00 C ATOM 773 NE ARG A 68 -1.493 1.034 6.908 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.699 0.980 8.216 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.035 -0.125 8.819 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.567 2.039 8.962 1.00 0.00 N ATOM 0 H ARG A 68 -0.110 2.090 2.444 1.00 0.00 H new ATOM 0 HA ARG A 68 1.247 -0.324 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.401 -0.815 4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.609 0.924 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.720 1.333 4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.101 -0.308 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.696 -0.467 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.005 -0.894 6.238 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.178 1.924 6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.147 -0.985 8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.186 -0.130 9.828 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.301 2.929 8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.730 1.978 9.967 1.00 0.00 H new ATOM 790 N ALA A 69 -1.893 -0.643 1.443 1.00 0.00 N ATOM 791 CA ALA A 69 -2.893 -1.500 0.810 1.00 0.00 C ATOM 792 C ALA A 69 -2.489 -1.925 -0.610 1.00 0.00 C ATOM 793 O ALA A 69 -2.609 -3.104 -0.946 1.00 0.00 O ATOM 794 CB ALA A 69 -4.242 -0.775 0.812 1.00 0.00 C ATOM 0 H ALA A 69 -2.222 0.312 1.588 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.971 -2.422 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.995 -1.407 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.538 -0.561 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.154 0.159 0.257 1.00 0.00 H new ATOM 800 N ALA A 70 -1.973 -1.003 -1.432 1.00 0.00 N ATOM 801 CA ALA A 70 -1.460 -1.316 -2.767 1.00 0.00 C ATOM 802 C ALA A 70 -0.319 -2.349 -2.719 1.00 0.00 C ATOM 803 O ALA A 70 -0.291 -3.271 -3.539 1.00 0.00 O ATOM 804 CB ALA A 70 -1.017 -0.017 -3.454 1.00 0.00 C ATOM 0 H ALA A 70 -1.900 -0.016 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.259 -1.774 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.634 -0.244 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.868 0.659 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.234 0.458 -2.863 1.00 0.00 H new ATOM 810 N VAL A 71 0.598 -2.236 -1.746 1.00 0.00 N ATOM 811 CA VAL A 71 1.664 -3.232 -1.550 1.00 0.00 C ATOM 812 C VAL A 71 1.089 -4.575 -1.089 1.00 0.00 C ATOM 813 O VAL A 71 1.453 -5.618 -1.629 1.00 0.00 O ATOM 814 CB VAL A 71 2.742 -2.771 -0.552 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.942 -3.719 -0.630 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.222 -1.341 -0.821 1.00 0.00 C ATOM 0 H VAL A 71 0.623 -1.463 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 71 2.140 -3.351 -2.523 1.00 0.00 H new ATOM 0 HB VAL A 71 2.292 -2.788 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.708 -3.396 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.623 -4.731 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.351 -3.706 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.981 -1.068 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.647 -1.282 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.379 -0.654 -0.744 1.00 0.00 H new ATOM 826 N GLU A 72 0.171 -4.565 -0.118 1.00 0.00 N ATOM 827 CA GLU A 72 -0.484 -5.776 0.392 1.00 0.00 C ATOM 828 C GLU A 72 -1.239 -6.543 -0.712 1.00 0.00 C ATOM 829 O GLU A 72 -1.177 -7.769 -0.779 1.00 0.00 O ATOM 830 CB GLU A 72 -1.444 -5.429 1.548 1.00 0.00 C ATOM 831 CG GLU A 72 -1.329 -6.419 2.714 1.00 0.00 C ATOM 832 CD GLU A 72 -2.601 -6.439 3.587 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.084 -5.359 4.007 1.00 0.00 O ATOM 834 OE2 GLU A 72 -3.125 -7.544 3.873 1.00 0.00 O ATOM 0 H GLU A 72 -0.142 -3.710 0.341 1.00 0.00 H new ATOM 0 HA GLU A 72 0.305 -6.430 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.230 -4.422 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.469 -5.424 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.143 -7.419 2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.471 -6.153 3.331 1.00 0.00 H new ATOM 841 N GLU A 73 -1.928 -5.834 -1.613 1.00 0.00 N ATOM 842 CA GLU A 73 -2.685 -6.424 -2.727 1.00 0.00 C ATOM 843 C GLU A 73 -1.785 -7.066 -3.804 1.00 0.00 C ATOM 844 O GLU A 73 -2.232 -7.940 -4.552 1.00 0.00 O ATOM 845 CB GLU A 73 -3.610 -5.357 -3.337 1.00 0.00 C ATOM 846 CG GLU A 73 -4.775 -5.989 -4.115 1.00 0.00 C ATOM 847 CD GLU A 73 -5.821 -4.953 -4.574 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.438 -3.859 -5.057 1.00 0.00 O ATOM 849 OE2 GLU A 73 -7.040 -5.243 -4.494 1.00 0.00 O ATOM 0 H GLU A 73 -1.977 -4.815 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.282 -7.241 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.005 -4.722 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.034 -4.715 -4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.382 -6.512 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.262 -6.736 -3.488 1.00 0.00 H new ATOM 856 N LEU A 74 -0.508 -6.674 -3.883 1.00 0.00 N ATOM 857 CA LEU A 74 0.476 -7.276 -4.790 1.00 0.00 C ATOM 858 C LEU A 74 0.746 -8.739 -4.380 1.00 0.00 C ATOM 859 O LEU A 74 0.854 -9.615 -5.233 1.00 0.00 O ATOM 860 CB LEU A 74 1.750 -6.404 -4.770 1.00 0.00 C ATOM 861 CG LEU A 74 2.637 -6.445 -6.034 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.692 -5.336 -5.928 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.332 -7.789 -6.271 1.00 0.00 C ATOM 0 H LEU A 74 -0.124 -5.921 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 74 0.100 -7.307 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.452 -5.370 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.358 -6.708 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 74 1.976 -6.296 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.327 -5.352 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.196 -4.368 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.303 -5.499 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.934 -7.732 -7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.975 -8.021 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.582 -8.572 -6.382 1.00 0.00 H new ATOM 875 N LEU A 75 0.764 -9.027 -3.073 1.00 0.00 N ATOM 876 CA LEU A 75 1.011 -10.355 -2.489 1.00 0.00 C ATOM 877 C LEU A 75 0.003 -11.416 -2.960 1.00 0.00 C ATOM 878 O LEU A 75 0.386 -12.558 -3.216 1.00 0.00 O ATOM 879 CB LEU A 75 0.985 -10.269 -0.952 1.00 0.00 C ATOM 880 CG LEU A 75 1.932 -9.218 -0.347 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.572 -9.001 1.119 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.392 -9.656 -0.438 1.00 0.00 C ATOM 0 H LEU A 75 0.600 -8.313 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 75 1.996 -10.669 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.033 -10.047 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.242 -11.246 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 75 1.815 -8.295 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.241 -8.257 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.543 -8.650 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.675 -9.941 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.030 -8.888 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.526 -10.592 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.664 -9.801 -1.484 1.00 0.00 H new ATOM 894 N GLU A 76 -1.272 -11.049 -3.123 1.00 0.00 N ATOM 895 CA GLU A 76 -2.316 -11.928 -3.667 1.00 0.00 C ATOM 896 C GLU A 76 -2.068 -12.325 -5.131 1.00 0.00 C ATOM 897 O GLU A 76 -2.516 -13.387 -5.571 1.00 0.00 O ATOM 898 CB GLU A 76 -3.677 -11.224 -3.565 1.00 0.00 C ATOM 899 CG GLU A 76 -4.351 -11.469 -2.210 1.00 0.00 C ATOM 900 CD GLU A 76 -5.779 -10.890 -2.187 1.00 0.00 C ATOM 901 OE1 GLU A 76 -6.712 -11.544 -2.717 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.986 -9.787 -1.624 1.00 0.00 O ATOM 0 H GLU A 76 -1.614 -10.120 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.300 -12.843 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.543 -10.153 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.329 -11.578 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.386 -12.539 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.758 -11.013 -1.418 1.00 0.00 H new ATOM 909 N ARG A 77 -1.331 -11.492 -5.879 1.00 0.00 N ATOM 910 CA ARG A 77 -0.948 -11.705 -7.281 1.00 0.00 C ATOM 911 C ARG A 77 0.504 -12.191 -7.450 1.00 0.00 C ATOM 912 O ARG A 77 0.906 -12.554 -8.555 1.00 0.00 O ATOM 913 CB ARG A 77 -1.250 -10.416 -8.076 1.00 0.00 C ATOM 914 CG ARG A 77 -2.768 -10.260 -8.290 1.00 0.00 C ATOM 915 CD ARG A 77 -3.153 -8.987 -9.054 1.00 0.00 C ATOM 916 NE ARG A 77 -3.210 -7.797 -8.179 1.00 0.00 N ATOM 917 CZ ARG A 77 -3.701 -6.612 -8.504 1.00 0.00 C ATOM 918 NH1 ARG A 77 -4.139 -6.345 -9.703 1.00 0.00 N ATOM 919 NH2 ARG A 77 -3.768 -5.660 -7.619 1.00 0.00 N ATOM 0 H ARG A 77 -0.970 -10.614 -5.507 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.546 -12.521 -7.687 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.861 -9.551 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.742 -10.448 -9.040 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.141 -11.127 -8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.265 -10.256 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.431 -8.813 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.123 -9.132 -9.529 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.836 -7.899 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.110 -7.062 -10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.511 -5.419 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.441 -5.825 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.148 -4.749 -7.877 1.00 0.00 H new ATOM 933 N ALA A 78 1.285 -12.252 -6.367 1.00 0.00 N ATOM 934 CA ALA A 78 2.669 -12.725 -6.332 1.00 0.00 C ATOM 935 C ALA A 78 2.762 -14.266 -6.294 1.00 0.00 C ATOM 936 O ALA A 78 3.009 -14.883 -5.255 1.00 0.00 O ATOM 937 CB ALA A 78 3.407 -12.044 -5.170 1.00 0.00 C ATOM 0 H ALA A 78 0.952 -11.959 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 78 3.166 -12.442 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.439 -12.393 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.394 -10.964 -5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.913 -12.291 -4.230 1.00 0.00 H new ATOM 943 N GLU A 79 2.557 -14.896 -7.455 1.00 0.00 N ATOM 944 CA GLU A 79 2.702 -16.351 -7.660 1.00 0.00 C ATOM 945 C GLU A 79 4.164 -16.790 -7.887 1.00 0.00 C ATOM 946 O GLU A 79 4.464 -17.986 -7.848 1.00 0.00 O ATOM 947 CB GLU A 79 1.857 -16.795 -8.865 1.00 0.00 C ATOM 948 CG GLU A 79 0.357 -16.541 -8.678 1.00 0.00 C ATOM 949 CD GLU A 79 -0.436 -17.070 -9.889 1.00 0.00 C ATOM 950 OE1 GLU A 79 -0.616 -16.319 -10.879 1.00 0.00 O ATOM 951 OE2 GLU A 79 -0.887 -18.242 -9.862 1.00 0.00 O ATOM 0 H GLU A 79 2.279 -14.401 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 79 2.355 -16.828 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.200 -16.267 -9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.019 -17.858 -9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.010 -17.030 -7.767 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.176 -15.473 -8.556 1.00 0.00 H new ATOM 958 N SER A 80 5.077 -15.835 -8.099 1.00 0.00 N ATOM 959 CA SER A 80 6.511 -16.050 -8.347 1.00 0.00 C ATOM 960 C SER A 80 7.366 -15.168 -7.433 1.00 0.00 C ATOM 961 O SER A 80 6.982 -14.045 -7.095 1.00 0.00 O ATOM 962 CB SER A 80 6.871 -15.749 -9.813 1.00 0.00 C ATOM 963 OG SER A 80 6.038 -16.452 -10.723 1.00 0.00 O ATOM 0 H SER A 80 4.827 -14.846 -8.103 1.00 0.00 H new ATOM 0 HA SER A 80 6.719 -17.098 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.783 -14.678 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.912 -16.018 -9.993 1.00 0.00 H new ATOM 0 HG SER A 80 6.298 -16.232 -11.642 1.00 0.00 H new ATOM 969 N VAL A 81 8.568 -15.646 -7.096 1.00 0.00 N ATOM 970 CA VAL A 81 9.561 -14.954 -6.245 1.00 0.00 C ATOM 971 C VAL A 81 9.929 -13.575 -6.817 1.00 0.00 C ATOM 972 O VAL A 81 10.130 -12.618 -6.077 1.00 0.00 O ATOM 973 CB VAL A 81 10.829 -15.820 -6.087 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.848 -15.222 -5.109 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.482 -17.207 -5.540 1.00 0.00 C ATOM 0 H VAL A 81 8.895 -16.558 -7.416 1.00 0.00 H new ATOM 0 HA VAL A 81 9.109 -14.801 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 81 11.259 -15.870 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.716 -15.878 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.161 -14.240 -5.465 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.392 -15.122 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.393 -17.796 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.005 -17.105 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.800 -17.709 -6.227 1.00 0.00 H new ATOM 985 N GLU A 82 9.947 -13.445 -8.146 1.00 0.00 N ATOM 986 CA GLU A 82 10.287 -12.201 -8.858 1.00 0.00 C ATOM 987 C GLU A 82 9.284 -11.062 -8.593 1.00 0.00 C ATOM 988 O GLU A 82 9.678 -9.902 -8.457 1.00 0.00 O ATOM 989 CB GLU A 82 10.368 -12.458 -10.372 1.00 0.00 C ATOM 990 CG GLU A 82 11.242 -13.651 -10.786 1.00 0.00 C ATOM 991 CD GLU A 82 12.679 -13.573 -10.231 1.00 0.00 C ATOM 992 OE1 GLU A 82 13.468 -12.719 -10.702 1.00 0.00 O ATOM 993 OE2 GLU A 82 13.034 -14.385 -9.343 1.00 0.00 O ATOM 0 H GLU A 82 9.721 -14.216 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 82 11.256 -11.883 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.359 -12.618 -10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.752 -11.561 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.775 -14.573 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.282 -13.704 -11.874 1.00 0.00 H new ATOM 1000 N ARG A 83 7.984 -11.384 -8.487 1.00 0.00 N ATOM 1001 CA ARG A 83 6.917 -10.410 -8.174 1.00 0.00 C ATOM 1002 C ARG A 83 7.016 -9.916 -6.729 1.00 0.00 C ATOM 1003 O ARG A 83 6.725 -8.757 -6.435 1.00 0.00 O ATOM 1004 CB ARG A 83 5.519 -11.007 -8.433 1.00 0.00 C ATOM 1005 CG ARG A 83 5.410 -11.776 -9.761 1.00 0.00 C ATOM 1006 CD ARG A 83 3.983 -11.817 -10.327 1.00 0.00 C ATOM 1007 NE ARG A 83 3.685 -10.626 -11.148 1.00 0.00 N ATOM 1008 CZ ARG A 83 4.067 -10.398 -12.395 1.00 0.00 C ATOM 1009 NH1 ARG A 83 4.779 -11.256 -13.072 1.00 0.00 N ATOM 1010 NH2 ARG A 83 3.746 -9.288 -12.995 1.00 0.00 N ATOM 0 H ARG A 83 7.638 -12.335 -8.617 1.00 0.00 H new ATOM 0 HA ARG A 83 7.058 -9.558 -8.839 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.263 -11.678 -7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.784 -10.202 -8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.071 -11.314 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.763 -12.796 -9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.857 -12.716 -10.931 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.268 -11.881 -9.507 1.00 0.00 H new ATOM 0 HE ARG A 83 3.123 -9.899 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.060 -12.137 -12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.055 -11.046 -14.031 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.195 -8.584 -12.504 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.046 -9.123 -13.956 1.00 0.00 H new ATOM 1024 N LEU A 84 7.477 -10.796 -5.839 1.00 0.00 N ATOM 1025 CA LEU A 84 7.732 -10.520 -4.428 1.00 0.00 C ATOM 1026 C LEU A 84 8.805 -9.431 -4.236 1.00 0.00 C ATOM 1027 O LEU A 84 8.638 -8.537 -3.408 1.00 0.00 O ATOM 1028 CB LEU A 84 8.155 -11.834 -3.748 1.00 0.00 C ATOM 1029 CG LEU A 84 7.721 -11.875 -2.280 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.337 -12.507 -2.140 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.702 -12.710 -1.471 1.00 0.00 C ATOM 0 H LEU A 84 7.691 -11.760 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 84 6.820 -10.135 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.717 -12.678 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.238 -11.945 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 84 7.696 -10.849 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.050 -12.525 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.611 -11.922 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.361 -13.526 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.386 -12.734 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.727 -13.726 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.697 -12.270 -1.539 1.00 0.00 H new ATOM 1043 N GLU A 85 9.885 -9.471 -5.024 1.00 0.00 N ATOM 1044 CA GLU A 85 10.948 -8.453 -4.991 1.00 0.00 C ATOM 1045 C GLU A 85 10.411 -7.035 -5.267 1.00 0.00 C ATOM 1046 O GLU A 85 10.837 -6.078 -4.623 1.00 0.00 O ATOM 1047 CB GLU A 85 12.068 -8.772 -5.996 1.00 0.00 C ATOM 1048 CG GLU A 85 12.762 -10.119 -5.753 1.00 0.00 C ATOM 1049 CD GLU A 85 14.075 -10.248 -6.556 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.115 -9.876 -7.754 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.086 -10.729 -5.988 1.00 0.00 O ATOM 0 H GLU A 85 10.050 -10.212 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 85 11.353 -8.478 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.650 -8.767 -7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.814 -7.978 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.975 -10.230 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.087 -10.929 -6.029 1.00 0.00 H new ATOM 1058 N GLU A 86 9.450 -6.897 -6.189 1.00 0.00 N ATOM 1059 CA GLU A 86 8.792 -5.625 -6.514 1.00 0.00 C ATOM 1060 C GLU A 86 7.999 -5.079 -5.310 1.00 0.00 C ATOM 1061 O GLU A 86 8.175 -3.919 -4.928 1.00 0.00 O ATOM 1062 CB GLU A 86 7.924 -5.812 -7.776 1.00 0.00 C ATOM 1063 CG GLU A 86 7.726 -4.529 -8.603 1.00 0.00 C ATOM 1064 CD GLU A 86 6.339 -3.882 -8.421 1.00 0.00 C ATOM 1065 OE1 GLU A 86 5.352 -4.383 -9.012 1.00 0.00 O ATOM 1066 OE2 GLU A 86 6.236 -2.832 -7.746 1.00 0.00 O ATOM 0 H GLU A 86 9.101 -7.681 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 86 9.544 -4.868 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.383 -6.572 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.947 -6.193 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.493 -3.806 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.873 -4.761 -9.658 1.00 0.00 H new ATOM 1073 N ALA A 87 7.195 -5.921 -4.649 1.00 0.00 N ATOM 1074 CA ALA A 87 6.468 -5.559 -3.427 1.00 0.00 C ATOM 1075 C ALA A 87 7.409 -5.068 -2.305 1.00 0.00 C ATOM 1076 O ALA A 87 7.113 -4.083 -1.623 1.00 0.00 O ATOM 1077 CB ALA A 87 5.618 -6.757 -2.976 1.00 0.00 C ATOM 0 H ALA A 87 7.030 -6.881 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 87 5.812 -4.717 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.074 -6.496 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.909 -7.016 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.267 -7.610 -2.778 1.00 0.00 H new ATOM 1083 N ALA A 88 8.573 -5.708 -2.147 1.00 0.00 N ATOM 1084 CA ALA A 88 9.601 -5.293 -1.189 1.00 0.00 C ATOM 1085 C ALA A 88 10.175 -3.897 -1.478 1.00 0.00 C ATOM 1086 O ALA A 88 10.625 -3.227 -0.553 1.00 0.00 O ATOM 1087 CB ALA A 88 10.716 -6.351 -1.126 1.00 0.00 C ATOM 0 H ALA A 88 8.829 -6.535 -2.686 1.00 0.00 H new ATOM 0 HA ALA A 88 9.118 -5.217 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.477 -6.036 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.295 -7.305 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.168 -6.463 -2.112 1.00 0.00 H new ATOM 1093 N SER A 89 10.151 -3.421 -2.719 1.00 0.00 N ATOM 1094 CA SER A 89 10.604 -2.063 -3.069 1.00 0.00 C ATOM 1095 C SER A 89 9.532 -1.018 -2.769 1.00 0.00 C ATOM 1096 O SER A 89 9.849 0.070 -2.285 1.00 0.00 O ATOM 1097 CB SER A 89 10.991 -1.969 -4.548 1.00 0.00 C ATOM 1098 OG SER A 89 11.965 -2.938 -4.904 1.00 0.00 O ATOM 0 H SER A 89 9.818 -3.961 -3.518 1.00 0.00 H new ATOM 0 HA SER A 89 11.480 -1.860 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.103 -2.104 -5.165 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.377 -0.972 -4.759 1.00 0.00 H new ATOM 0 HG SER A 89 11.585 -3.836 -4.803 1.00 0.00 H new ATOM 1104 N ARG A 90 8.252 -1.350 -2.993 1.00 0.00 N ATOM 1105 CA ARG A 90 7.120 -0.476 -2.647 1.00 0.00 C ATOM 1106 C ARG A 90 7.078 -0.168 -1.149 1.00 0.00 C ATOM 1107 O ARG A 90 6.959 0.996 -0.768 1.00 0.00 O ATOM 1108 CB ARG A 90 5.788 -1.085 -3.111 1.00 0.00 C ATOM 1109 CG ARG A 90 5.663 -1.353 -4.615 1.00 0.00 C ATOM 1110 CD ARG A 90 5.891 -0.082 -5.439 1.00 0.00 C ATOM 1111 NE ARG A 90 5.492 -0.292 -6.839 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.052 0.609 -7.694 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.054 1.885 -7.420 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.592 0.239 -8.852 1.00 0.00 N ATOM 0 H ARG A 90 7.972 -2.233 -3.420 1.00 0.00 H new ATOM 0 HA ARG A 90 7.269 0.466 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.636 -2.025 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.981 -0.416 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.387 -2.113 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.673 -1.754 -4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.319 0.742 -5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.942 0.203 -5.394 1.00 0.00 H new ATOM 0 HE ARG A 90 5.564 -1.247 -7.189 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.404 2.213 -6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.706 2.555 -8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.571 -0.750 -9.100 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.252 0.938 -9.513 1.00 0.00 H new ATOM 1128 N LEU A 91 7.233 -1.188 -0.296 1.00 0.00 N ATOM 1129 CA LEU A 91 7.269 -0.996 1.161 1.00 0.00 C ATOM 1130 C LEU A 91 8.508 -0.206 1.619 1.00 0.00 C ATOM 1131 O LEU A 91 8.407 0.612 2.532 1.00 0.00 O ATOM 1132 CB LEU A 91 7.066 -2.349 1.872 1.00 0.00 C ATOM 1133 CG LEU A 91 8.310 -3.207 2.147 1.00 0.00 C ATOM 1134 CD1 LEU A 91 8.975 -2.849 3.479 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.902 -4.680 2.192 1.00 0.00 C ATOM 0 H LEU A 91 7.336 -2.159 -0.590 1.00 0.00 H new ATOM 0 HA LEU A 91 6.435 -0.360 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.575 -2.156 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.376 -2.942 1.272 1.00 0.00 H new ATOM 0 HG LEU A 91 9.024 -3.017 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.850 -3.481 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.282 -1.803 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.268 -3.007 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.781 -5.295 2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.170 -4.831 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.464 -4.966 1.236 1.00 0.00 H new ATOM 1147 N GLN A 92 9.661 -0.379 0.964 1.00 0.00 N ATOM 1148 CA GLN A 92 10.876 0.404 1.247 1.00 0.00 C ATOM 1149 C GLN A 92 10.695 1.906 0.967 1.00 0.00 C ATOM 1150 O GLN A 92 11.281 2.747 1.651 1.00 0.00 O ATOM 1151 CB GLN A 92 12.067 -0.178 0.467 1.00 0.00 C ATOM 1152 CG GLN A 92 12.638 -1.415 1.171 1.00 0.00 C ATOM 1153 CD GLN A 92 13.764 -2.069 0.374 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.928 -1.699 0.459 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.462 -3.070 -0.422 1.00 0.00 N ATOM 0 H GLN A 92 9.782 -1.067 0.220 1.00 0.00 H new ATOM 0 HA GLN A 92 11.080 0.324 2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.750 -0.444 -0.541 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.845 0.579 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.011 -1.130 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.840 -2.140 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.495 -3.386 -0.500 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.194 -3.531 -0.962 1.00 0.00 H new ATOM 1164 N GLY A 93 9.823 2.250 0.016 1.00 0.00 N ATOM 1165 CA GLY A 93 9.444 3.627 -0.318 1.00 0.00 C ATOM 1166 C GLY A 93 8.488 4.280 0.690 1.00 0.00 C ATOM 1167 O GLY A 93 8.517 5.503 0.846 1.00 0.00 O ATOM 0 H GLY A 93 9.346 1.557 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.347 4.233 -0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.976 3.634 -1.302 1.00 0.00 H new ATOM 1171 N LEU A 94 7.682 3.498 1.423 1.00 0.00 N ATOM 1172 CA LEU A 94 6.800 4.017 2.483 1.00 0.00 C ATOM 1173 C LEU A 94 7.581 4.683 3.631 1.00 0.00 C ATOM 1174 O LEU A 94 7.063 5.612 4.242 1.00 0.00 O ATOM 1175 CB LEU A 94 5.869 2.906 3.021 1.00 0.00 C ATOM 1176 CG LEU A 94 4.467 2.858 2.387 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.680 1.668 2.940 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.661 4.119 2.716 1.00 0.00 C ATOM 0 H LEU A 94 7.622 2.487 1.299 1.00 0.00 H new ATOM 0 HA LEU A 94 6.187 4.794 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.353 1.942 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.759 3.037 4.097 1.00 0.00 H new ATOM 0 HG LEU A 94 4.608 2.775 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.690 1.644 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.209 0.743 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.580 1.768 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.676 4.053 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.549 4.207 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.184 4.995 2.333 1.00 0.00 H new ATOM 1190 N GLN A 95 8.830 4.287 3.906 1.00 0.00 N ATOM 1191 CA GLN A 95 9.661 4.889 4.960 1.00 0.00 C ATOM 1192 C GLN A 95 9.926 6.380 4.685 1.00 0.00 C ATOM 1193 O GLN A 95 9.872 7.211 5.595 1.00 0.00 O ATOM 1194 CB GLN A 95 10.977 4.099 5.083 1.00 0.00 C ATOM 1195 CG GLN A 95 11.863 4.611 6.229 1.00 0.00 C ATOM 1196 CD GLN A 95 13.082 3.720 6.462 1.00 0.00 C ATOM 1197 OE1 GLN A 95 13.186 3.001 7.448 1.00 0.00 O ATOM 1198 NE2 GLN A 95 14.060 3.734 5.579 1.00 0.00 N ATOM 0 H GLN A 95 9.297 3.534 3.400 1.00 0.00 H new ATOM 0 HA GLN A 95 9.124 4.835 5.907 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.751 3.045 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.527 4.166 4.144 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.194 5.625 6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.274 4.664 7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.992 4.326 4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.885 3.152 5.723 1.00 0.00 H new ATOM 1207 N LYS A 96 10.181 6.728 3.416 1.00 0.00 N ATOM 1208 CA LYS A 96 10.480 8.097 2.970 1.00 0.00 C ATOM 1209 C LYS A 96 9.316 9.071 3.206 1.00 0.00 C ATOM 1210 O LYS A 96 9.554 10.244 3.486 1.00 0.00 O ATOM 1211 CB LYS A 96 10.946 8.061 1.501 1.00 0.00 C ATOM 1212 CG LYS A 96 11.551 9.401 1.037 1.00 0.00 C ATOM 1213 CD LYS A 96 10.541 10.324 0.328 1.00 0.00 C ATOM 1214 CE LYS A 96 10.424 10.018 -1.171 1.00 0.00 C ATOM 1215 NZ LYS A 96 11.538 10.628 -1.949 1.00 0.00 N ATOM 0 H LYS A 96 10.185 6.051 2.653 1.00 0.00 H new ATOM 0 HA LYS A 96 11.292 8.492 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.686 7.271 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.100 7.808 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.962 9.923 1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.382 9.200 0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.563 10.215 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.845 11.362 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.423 8.939 -1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.471 10.393 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.424 10.399 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.524 11.660 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.446 10.251 -1.609 1.00 0.00 H new ATOM 1229 N LEU A 97 8.070 8.592 3.149 1.00 0.00 N ATOM 1230 CA LEU A 97 6.867 9.359 3.449 1.00 0.00 C ATOM 1231 C LEU A 97 6.886 9.876 4.899 1.00 0.00 C ATOM 1232 O LEU A 97 6.788 11.083 5.112 1.00 0.00 O ATOM 1233 CB LEU A 97 5.661 8.461 3.132 1.00 0.00 C ATOM 1234 CG LEU A 97 4.312 9.013 3.576 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.982 10.389 3.001 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.230 8.002 3.204 1.00 0.00 C ATOM 0 H LEU A 97 7.869 7.628 2.884 1.00 0.00 H new ATOM 0 HA LEU A 97 6.806 10.257 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.629 8.287 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.814 7.492 3.607 1.00 0.00 H new ATOM 0 HG LEU A 97 4.359 9.159 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.006 10.711 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.741 11.106 3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.963 10.334 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.256 8.380 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.232 7.847 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.428 7.055 3.707 1.00 0.00 H new ATOM 1248 N ILE A 98 7.062 8.986 5.886 1.00 0.00 N ATOM 1249 CA ILE A 98 7.183 9.399 7.296 1.00 0.00 C ATOM 1250 C ILE A 98 8.434 10.255 7.505 1.00 0.00 C ATOM 1251 O ILE A 98 8.354 11.272 8.180 1.00 0.00 O ATOM 1252 CB ILE A 98 7.186 8.215 8.286 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.028 7.229 8.031 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.038 8.720 9.727 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.497 5.997 7.266 1.00 0.00 C ATOM 0 H ILE A 98 7.124 7.979 5.737 1.00 0.00 H new ATOM 0 HA ILE A 98 6.292 9.989 7.512 1.00 0.00 H new ATOM 0 HB ILE A 98 8.137 7.703 8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.594 6.923 8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.241 7.730 7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.042 7.872 10.412 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.868 9.384 9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.098 9.263 9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.654 5.326 7.105 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.907 6.301 6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.266 5.482 7.842 1.00 0.00 H new ATOM 1267 N ASN A 99 9.576 9.898 6.907 1.00 0.00 N ATOM 1268 CA ASN A 99 10.831 10.657 7.012 1.00 0.00 C ATOM 1269 C ASN A 99 10.683 12.156 6.661 1.00 0.00 C ATOM 1270 O ASN A 99 11.397 12.987 7.221 1.00 0.00 O ATOM 1271 CB ASN A 99 11.886 9.969 6.131 1.00 0.00 C ATOM 1272 CG ASN A 99 13.219 10.699 6.124 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.026 10.580 7.035 1.00 0.00 O ATOM 1274 ND2 ASN A 99 13.499 11.466 5.092 1.00 0.00 N ATOM 0 H ASN A 99 9.657 9.062 6.328 1.00 0.00 H new ATOM 0 HA ASN A 99 11.146 10.651 8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.038 8.949 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.510 9.900 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.390 11.962 5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.825 11.565 4.332 1.00 0.00 H new ATOM 1281 N ASP A 100 9.758 12.521 5.767 1.00 0.00 N ATOM 1282 CA ASP A 100 9.476 13.923 5.427 1.00 0.00 C ATOM 1283 C ASP A 100 8.733 14.682 6.551 1.00 0.00 C ATOM 1284 O ASP A 100 9.118 15.796 6.914 1.00 0.00 O ATOM 1285 CB ASP A 100 8.686 13.979 4.112 1.00 0.00 C ATOM 1286 CG ASP A 100 8.593 15.409 3.553 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.649 16.063 3.368 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.465 15.875 3.266 1.00 0.00 O ATOM 0 H ASP A 100 9.181 11.852 5.257 1.00 0.00 H new ATOM 0 HA ASP A 100 10.433 14.431 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.163 13.333 3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.682 13.588 4.276 1.00 0.00 H new ATOM 1293 N SER A 101 7.691 14.079 7.132 1.00 0.00 N ATOM 1294 CA SER A 101 6.848 14.631 8.214 1.00 0.00 C ATOM 1295 C SER A 101 7.210 14.108 9.619 1.00 0.00 C ATOM 1296 O SER A 101 6.436 14.241 10.565 1.00 0.00 O ATOM 1297 CB SER A 101 5.362 14.408 7.887 1.00 0.00 C ATOM 1298 OG SER A 101 5.115 13.038 7.617 1.00 0.00 O ATOM 0 H SER A 101 7.392 13.145 6.851 1.00 0.00 H new ATOM 0 HA SER A 101 7.050 15.701 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.746 14.737 8.724 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.078 15.012 7.025 1.00 0.00 H new ATOM 0 HG SER A 101 4.165 12.911 7.412 1.00 0.00 H new ATOM 1304 N VAL A 102 8.397 13.528 9.804 1.00 0.00 N ATOM 1305 CA VAL A 102 8.831 12.853 11.043 1.00 0.00 C ATOM 1306 C VAL A 102 8.832 13.763 12.275 1.00 0.00 C ATOM 1307 O VAL A 102 8.404 13.351 13.352 1.00 0.00 O ATOM 1308 CB VAL A 102 10.209 12.192 10.842 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.321 13.204 10.548 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.610 11.351 12.055 1.00 0.00 C ATOM 0 H VAL A 102 9.111 13.511 9.076 1.00 0.00 H new ATOM 0 HA VAL A 102 8.088 12.082 11.248 1.00 0.00 H new ATOM 0 HB VAL A 102 10.097 11.548 9.969 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.266 12.678 10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.082 13.753 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.407 13.902 11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.586 10.900 11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.659 11.987 12.939 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.871 10.566 12.214 1.00 0.00 H new ATOM 1320 N PHE A 103 9.264 15.015 12.116 1.00 0.00 N ATOM 1321 CA PHE A 103 9.263 16.035 13.172 1.00 0.00 C ATOM 1322 C PHE A 103 7.863 16.611 13.443 1.00 0.00 C ATOM 1323 O PHE A 103 7.681 17.400 14.375 1.00 0.00 O ATOM 1324 CB PHE A 103 10.234 17.158 12.779 1.00 0.00 C ATOM 1325 CG PHE A 103 11.600 16.678 12.318 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.380 15.852 13.150 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.074 17.027 11.039 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.628 15.380 12.706 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.323 16.557 10.596 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.101 15.734 11.429 1.00 0.00 C ATOM 0 H PHE A 103 9.633 15.358 11.229 1.00 0.00 H new ATOM 0 HA PHE A 103 9.585 15.559 14.098 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.783 17.749 11.982 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.366 17.823 13.633 1.00 0.00 H new ATOM 0 HD1 PHE A 103 12.019 15.580 14.131 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.477 17.657 10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.224 14.745 13.345 1.00 0.00 H new ATOM 0 HE2 PHE A 103 13.685 16.828 9.615 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.061 15.374 11.089 1.00 0.00 H new ATOM 1340 N PHE A 104 6.876 16.221 12.631 1.00 0.00 N ATOM 1341 CA PHE A 104 5.482 16.668 12.725 1.00 0.00 C ATOM 1342 C PHE A 104 4.603 15.590 13.375 1.00 0.00 C ATOM 1343 O PHE A 104 3.843 15.883 14.301 1.00 0.00 O ATOM 1344 CB PHE A 104 4.982 17.085 11.330 1.00 0.00 C ATOM 1345 CG PHE A 104 3.481 17.041 11.165 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.685 18.120 11.585 1.00 0.00 C ATOM 1347 CD2 PHE A 104 2.878 15.888 10.634 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.288 18.039 11.463 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.487 15.804 10.511 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.695 16.886 10.919 1.00 0.00 C ATOM 0 H PHE A 104 7.030 15.565 11.866 1.00 0.00 H new ATOM 0 HA PHE A 104 5.419 17.541 13.374 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.329 18.097 11.121 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.436 16.432 10.585 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.144 19.006 11.999 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.494 15.059 10.318 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.669 18.863 11.787 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.028 14.914 10.106 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.379 16.834 10.815 1.00 0.00 H new ATOM 1360 N LEU A 105 4.722 14.340 12.918 1.00 0.00 N ATOM 1361 CA LEU A 105 4.023 13.189 13.482 1.00 0.00 C ATOM 1362 C LEU A 105 4.468 12.940 14.933 1.00 0.00 C ATOM 1363 O LEU A 105 5.665 12.866 15.226 1.00 0.00 O ATOM 1364 CB LEU A 105 4.295 11.967 12.592 1.00 0.00 C ATOM 1365 CG LEU A 105 3.763 12.112 11.152 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.273 10.954 10.313 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.241 12.151 11.091 1.00 0.00 C ATOM 0 H LEU A 105 5.321 14.098 12.128 1.00 0.00 H new ATOM 0 HA LEU A 105 2.950 13.381 13.507 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.370 11.788 12.556 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.841 11.088 13.050 1.00 0.00 H new ATOM 0 HG LEU A 105 4.127 13.063 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.900 11.051 9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.363 10.964 10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.923 10.014 10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.921 12.254 10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.836 11.228 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.875 12.999 11.670 1.00 0.00 H new ATOM 1379 N ALA A 106 3.505 12.817 15.849 1.00 0.00 N ATOM 1380 CA ALA A 106 3.758 12.488 17.254 1.00 0.00 C ATOM 1381 C ALA A 106 4.447 11.114 17.405 1.00 0.00 C ATOM 1382 O ALA A 106 4.331 10.262 16.523 1.00 0.00 O ATOM 1383 CB ALA A 106 2.412 12.522 17.996 1.00 0.00 C ATOM 0 H ALA A 106 2.516 12.944 15.634 1.00 0.00 H new ATOM 0 HA ALA A 106 4.443 13.219 17.684 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.570 12.280 19.047 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.976 13.518 17.914 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.734 11.792 17.554 1.00 0.00 H new ATOM 1389 N ALA A 107 5.081 10.852 18.557 1.00 0.00 N ATOM 1390 CA ALA A 107 5.694 9.553 18.894 1.00 0.00 C ATOM 1391 C ALA A 107 4.713 8.365 18.776 1.00 0.00 C ATOM 1392 O ALA A 107 5.138 7.223 18.602 1.00 0.00 O ATOM 1393 CB ALA A 107 6.333 9.652 20.287 1.00 0.00 C ATOM 0 H ALA A 107 5.186 11.547 19.296 1.00 0.00 H new ATOM 0 HA ALA A 107 6.469 9.338 18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.789 8.697 20.547 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.097 10.430 20.283 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.567 9.900 21.022 1.00 0.00 H new ATOM 1399 N TYR A 108 3.407 8.626 18.857 1.00 0.00 N ATOM 1400 CA TYR A 108 2.337 7.649 18.664 1.00 0.00 C ATOM 1401 C TYR A 108 2.242 7.252 17.176 1.00 0.00 C ATOM 1402 O TYR A 108 2.462 6.096 16.813 1.00 0.00 O ATOM 1403 CB TYR A 108 1.032 8.272 19.190 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.238 7.532 18.820 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.502 6.258 19.361 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.158 8.126 17.933 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.685 5.578 19.012 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.343 7.450 17.584 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.608 6.171 18.125 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.747 5.500 17.799 1.00 0.00 O ATOM 0 H TYR A 108 3.054 9.560 19.067 1.00 0.00 H new ATOM 0 HA TYR A 108 2.537 6.731 19.216 1.00 0.00 H new ATOM 0 HB2 TYR A 108 1.092 8.335 20.277 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.960 9.293 18.815 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.202 5.804 20.042 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.954 9.103 17.520 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.886 4.600 19.424 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.047 7.907 16.905 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.280 6.041 17.180 1.00 0.00 H new ATOM 1420 N ASP A 109 1.956 8.221 16.305 1.00 0.00 N ATOM 1421 CA ASP A 109 1.733 8.032 14.864 1.00 0.00 C ATOM 1422 C ASP A 109 3.013 7.633 14.112 1.00 0.00 C ATOM 1423 O ASP A 109 2.991 6.778 13.227 1.00 0.00 O ATOM 1424 CB ASP A 109 1.174 9.331 14.266 1.00 0.00 C ATOM 1425 CG ASP A 109 0.083 9.111 13.198 1.00 0.00 C ATOM 1426 OD1 ASP A 109 0.017 8.021 12.580 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.725 10.044 12.986 1.00 0.00 O ATOM 0 H ASP A 109 1.869 9.196 16.591 1.00 0.00 H new ATOM 0 HA ASP A 109 1.023 7.213 14.748 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.763 9.942 15.070 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.993 9.897 13.823 1.00 0.00 H new ATOM 1432 N LEU A 110 4.150 8.223 14.498 1.00 0.00 N ATOM 1433 CA LEU A 110 5.476 7.898 13.977 1.00 0.00 C ATOM 1434 C LEU A 110 5.775 6.405 14.165 1.00 0.00 C ATOM 1435 O LEU A 110 6.068 5.703 13.191 1.00 0.00 O ATOM 1436 CB LEU A 110 6.504 8.816 14.672 1.00 0.00 C ATOM 1437 CG LEU A 110 7.990 8.518 14.401 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.309 8.410 12.913 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.843 9.646 14.982 1.00 0.00 C ATOM 0 H LEU A 110 4.170 8.961 15.202 1.00 0.00 H new ATOM 0 HA LEU A 110 5.530 8.078 12.903 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.302 9.844 14.369 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.337 8.762 15.748 1.00 0.00 H new ATOM 0 HG LEU A 110 8.211 7.558 14.869 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.370 8.199 12.783 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.722 7.604 12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.063 9.350 12.419 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.896 9.440 14.793 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.568 10.590 14.511 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.674 9.714 16.057 1.00 0.00 H new ATOM 1451 N ARG A 111 5.652 5.902 15.399 1.00 0.00 N ATOM 1452 CA ARG A 111 5.865 4.477 15.703 1.00 0.00 C ATOM 1453 C ARG A 111 4.834 3.553 15.054 1.00 0.00 C ATOM 1454 O ARG A 111 5.181 2.447 14.645 1.00 0.00 O ATOM 1455 CB ARG A 111 5.998 4.250 17.222 1.00 0.00 C ATOM 1456 CG ARG A 111 7.301 4.872 17.761 1.00 0.00 C ATOM 1457 CD ARG A 111 7.586 4.528 19.230 1.00 0.00 C ATOM 1458 NE ARG A 111 6.690 5.236 20.166 1.00 0.00 N ATOM 1459 CZ ARG A 111 6.763 5.214 21.487 1.00 0.00 C ATOM 1460 NH1 ARG A 111 7.673 4.525 22.119 1.00 0.00 N ATOM 1461 NH2 ARG A 111 5.921 5.891 22.214 1.00 0.00 N ATOM 0 H ARG A 111 5.404 6.465 16.212 1.00 0.00 H new ATOM 0 HA ARG A 111 6.813 4.197 15.244 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.142 4.688 17.735 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.985 3.181 17.436 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.136 4.532 17.149 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.248 5.955 17.654 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.479 3.453 19.374 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.621 4.780 19.464 1.00 0.00 H new ATOM 0 HE ARG A 111 5.943 5.796 19.755 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.357 3.981 21.593 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.700 4.531 23.139 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.193 6.448 21.766 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.989 5.865 23.231 1.00 0.00 H new ATOM 1475 N GLN A 112 3.607 4.030 14.873 1.00 0.00 N ATOM 1476 CA GLN A 112 2.535 3.306 14.170 1.00 0.00 C ATOM 1477 C GLN A 112 2.850 3.102 12.676 1.00 0.00 C ATOM 1478 O GLN A 112 2.833 1.964 12.202 1.00 0.00 O ATOM 1479 CB GLN A 112 1.187 4.024 14.360 1.00 0.00 C ATOM 1480 CG GLN A 112 0.515 3.692 15.702 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.170 2.327 15.678 1.00 0.00 C ATOM 1482 OE1 GLN A 112 0.329 1.335 16.191 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.333 2.217 15.069 1.00 0.00 N ATOM 0 H GLN A 112 3.317 4.946 15.214 1.00 0.00 H new ATOM 0 HA GLN A 112 2.467 2.313 14.614 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.342 5.101 14.294 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.517 3.748 13.546 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.262 3.708 16.495 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.219 4.462 15.940 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.762 3.035 14.637 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.805 1.314 15.030 1.00 0.00 H new ATOM 1492 N GLY A 113 3.166 4.170 11.932 1.00 0.00 N ATOM 1493 CA GLY A 113 3.515 4.093 10.509 1.00 0.00 C ATOM 1494 C GLY A 113 4.766 3.248 10.261 1.00 0.00 C ATOM 1495 O GLY A 113 4.769 2.373 9.398 1.00 0.00 O ATOM 0 H GLY A 113 3.187 5.119 12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.678 3.669 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.677 5.099 10.122 1.00 0.00 H new ATOM 1499 N GLN A 114 5.815 3.457 11.059 1.00 0.00 N ATOM 1500 CA GLN A 114 7.053 2.675 10.982 1.00 0.00 C ATOM 1501 C GLN A 114 6.822 1.168 11.229 1.00 0.00 C ATOM 1502 O GLN A 114 7.393 0.345 10.512 1.00 0.00 O ATOM 1503 CB GLN A 114 8.085 3.264 11.957 1.00 0.00 C ATOM 1504 CG GLN A 114 8.583 4.659 11.530 1.00 0.00 C ATOM 1505 CD GLN A 114 9.682 4.596 10.473 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.444 4.415 9.286 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.929 4.751 10.864 1.00 0.00 N ATOM 0 H GLN A 114 5.831 4.177 11.781 1.00 0.00 H new ATOM 0 HA GLN A 114 7.440 2.746 9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.642 3.330 12.951 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.936 2.587 12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.744 5.236 11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.957 5.190 12.405 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.139 4.902 11.851 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.685 4.720 10.180 1.00 0.00 H new ATOM 1516 N GLU A 115 5.966 0.772 12.183 1.00 0.00 N ATOM 1517 CA GLU A 115 5.621 -0.647 12.397 1.00 0.00 C ATOM 1518 C GLU A 115 4.772 -1.273 11.285 1.00 0.00 C ATOM 1519 O GLU A 115 4.899 -2.463 10.988 1.00 0.00 O ATOM 1520 CB GLU A 115 4.933 -0.872 13.745 1.00 0.00 C ATOM 1521 CG GLU A 115 5.917 -0.994 14.917 1.00 0.00 C ATOM 1522 CD GLU A 115 5.284 -1.780 16.083 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.456 -1.212 16.837 1.00 0.00 O ATOM 1524 OE2 GLU A 115 5.612 -2.980 16.256 1.00 0.00 O ATOM 0 H GLU A 115 5.497 1.414 12.822 1.00 0.00 H new ATOM 0 HA GLU A 115 6.585 -1.155 12.384 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.249 -0.045 13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.330 -1.778 13.690 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.825 -1.496 14.584 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.209 -0.001 15.258 1.00 0.00 H new ATOM 1531 N ALA A 116 3.926 -0.478 10.639 1.00 0.00 N ATOM 1532 CA ALA A 116 3.097 -0.935 9.527 1.00 0.00 C ATOM 1533 C ALA A 116 3.937 -1.432 8.335 1.00 0.00 C ATOM 1534 O ALA A 116 3.574 -2.447 7.746 1.00 0.00 O ATOM 1535 CB ALA A 116 2.092 0.147 9.145 1.00 0.00 C ATOM 0 H ALA A 116 3.795 0.506 10.872 1.00 0.00 H new ATOM 0 HA ALA A 116 2.531 -1.807 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.478 -0.203 8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.453 0.369 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.625 1.050 8.847 1.00 0.00 H new ATOM 1541 N LEU A 117 5.077 -0.801 8.010 1.00 0.00 N ATOM 1542 CA LEU A 117 5.982 -1.291 6.950 1.00 0.00 C ATOM 1543 C LEU A 117 6.408 -2.744 7.211 1.00 0.00 C ATOM 1544 O LEU A 117 6.375 -3.588 6.313 1.00 0.00 O ATOM 1545 CB LEU A 117 7.265 -0.449 6.868 1.00 0.00 C ATOM 1546 CG LEU A 117 7.168 0.813 6.007 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.424 1.941 6.712 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.580 1.293 5.710 1.00 0.00 C ATOM 0 H LEU A 117 5.397 0.053 8.466 1.00 0.00 H new ATOM 0 HA LEU A 117 5.423 -1.217 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.554 -0.158 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.066 -1.075 6.476 1.00 0.00 H new ATOM 0 HG LEU A 117 6.618 0.560 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.383 2.813 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.411 1.616 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.946 2.201 7.633 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.537 2.193 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.093 1.516 6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.124 0.515 5.175 1.00 0.00 H new ATOM 1560 N ALA A 118 6.791 -3.028 8.458 1.00 0.00 N ATOM 1561 CA ALA A 118 7.175 -4.364 8.913 1.00 0.00 C ATOM 1562 C ALA A 118 6.029 -5.370 8.760 1.00 0.00 C ATOM 1563 O ALA A 118 6.267 -6.514 8.377 1.00 0.00 O ATOM 1564 CB ALA A 118 7.638 -4.302 10.372 1.00 0.00 C ATOM 0 H ALA A 118 6.843 -2.322 9.192 1.00 0.00 H new ATOM 0 HA ALA A 118 7.996 -4.709 8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.923 -5.300 10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.495 -3.633 10.454 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.826 -3.929 10.996 1.00 0.00 H new ATOM 1570 N ARG A 119 4.784 -4.948 9.025 1.00 0.00 N ATOM 1571 CA ARG A 119 3.589 -5.786 8.874 1.00 0.00 C ATOM 1572 C ARG A 119 3.446 -6.314 7.440 1.00 0.00 C ATOM 1573 O ARG A 119 3.155 -7.494 7.243 1.00 0.00 O ATOM 1574 CB ARG A 119 2.347 -4.998 9.330 1.00 0.00 C ATOM 1575 CG ARG A 119 1.210 -5.915 9.798 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.014 -5.077 10.185 1.00 0.00 C ATOM 1577 NE ARG A 119 -1.018 -5.882 10.908 1.00 0.00 N ATOM 1578 CZ ARG A 119 -2.244 -5.517 11.240 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.747 -4.369 10.880 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -2.997 -6.304 11.953 1.00 0.00 N ATOM 0 H ARG A 119 4.578 -4.005 9.354 1.00 0.00 H new ATOM 0 HA ARG A 119 3.690 -6.665 9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.625 -4.326 10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.993 -4.376 8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.946 -6.614 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.539 -6.509 10.651 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.300 -4.240 10.809 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.464 -4.654 9.287 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.735 -6.823 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.190 -3.720 10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.697 -4.120 11.154 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.642 -7.210 12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.942 -6.015 12.205 1.00 0.00 H new ATOM 1594 N LEU A 120 3.689 -5.455 6.443 1.00 0.00 N ATOM 1595 CA LEU A 120 3.689 -5.812 5.018 1.00 0.00 C ATOM 1596 C LEU A 120 4.899 -6.705 4.704 1.00 0.00 C ATOM 1597 O LEU A 120 4.744 -7.768 4.111 1.00 0.00 O ATOM 1598 CB LEU A 120 3.714 -4.548 4.127 1.00 0.00 C ATOM 1599 CG LEU A 120 2.741 -3.423 4.517 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.936 -2.221 3.596 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.273 -3.854 4.495 1.00 0.00 C ATOM 0 H LEU A 120 3.896 -4.470 6.608 1.00 0.00 H new ATOM 0 HA LEU A 120 2.771 -6.359 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.726 -4.143 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.498 -4.847 3.101 1.00 0.00 H new ATOM 0 HG LEU A 120 2.976 -3.156 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.243 -1.429 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.959 -1.857 3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.745 -2.518 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.642 -3.012 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.006 -4.184 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.124 -4.673 5.198 1.00 0.00 H new ATOM 1613 N GLN A 121 6.104 -6.307 5.142 1.00 0.00 N ATOM 1614 CA GLN A 121 7.360 -7.020 4.909 1.00 0.00 C ATOM 1615 C GLN A 121 7.342 -8.468 5.435 1.00 0.00 C ATOM 1616 O GLN A 121 7.832 -9.377 4.763 1.00 0.00 O ATOM 1617 CB GLN A 121 8.504 -6.188 5.503 1.00 0.00 C ATOM 1618 CG GLN A 121 9.874 -6.844 5.296 1.00 0.00 C ATOM 1619 CD GLN A 121 10.957 -5.861 4.857 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.481 -5.076 5.635 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.342 -5.873 3.596 1.00 0.00 N ATOM 0 H GLN A 121 6.230 -5.453 5.685 1.00 0.00 H new ATOM 0 HA GLN A 121 7.511 -7.129 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.505 -5.199 5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.330 -6.046 6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.183 -7.323 6.225 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.782 -7.631 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.912 -6.523 2.938 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.069 -5.232 3.279 1.00 0.00 H new ATOM 1630 N ALA A 122 6.733 -8.700 6.598 1.00 0.00 N ATOM 1631 CA ALA A 122 6.571 -10.025 7.192 1.00 0.00 C ATOM 1632 C ALA A 122 5.839 -11.019 6.269 1.00 0.00 C ATOM 1633 O ALA A 122 6.195 -12.197 6.234 1.00 0.00 O ATOM 1634 CB ALA A 122 5.840 -9.867 8.529 1.00 0.00 C ATOM 0 H ALA A 122 6.330 -7.954 7.165 1.00 0.00 H new ATOM 0 HA ALA A 122 7.561 -10.455 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.709 -10.846 8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.426 -9.230 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.864 -9.412 8.359 1.00 0.00 H new ATOM 1640 N ALA A 123 4.861 -10.557 5.480 1.00 0.00 N ATOM 1641 CA ALA A 123 4.169 -11.396 4.503 1.00 0.00 C ATOM 1642 C ALA A 123 5.121 -11.918 3.414 1.00 0.00 C ATOM 1643 O ALA A 123 5.086 -13.103 3.088 1.00 0.00 O ATOM 1644 CB ALA A 123 3.003 -10.612 3.901 1.00 0.00 C ATOM 0 H ALA A 123 4.530 -9.592 5.503 1.00 0.00 H new ATOM 0 HA ALA A 123 3.780 -12.277 5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.484 -11.234 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.310 -10.326 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.382 -9.716 3.409 1.00 0.00 H new ATOM 1650 N LEU A 124 6.013 -11.071 2.885 1.00 0.00 N ATOM 1651 CA LEU A 124 7.038 -11.482 1.918 1.00 0.00 C ATOM 1652 C LEU A 124 8.006 -12.469 2.561 1.00 0.00 C ATOM 1653 O LEU A 124 8.298 -13.508 1.977 1.00 0.00 O ATOM 1654 CB LEU A 124 7.860 -10.299 1.382 1.00 0.00 C ATOM 1655 CG LEU A 124 7.090 -9.299 0.512 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.233 -8.362 1.354 1.00 0.00 C ATOM 1657 CD2 LEU A 124 8.098 -8.420 -0.215 1.00 0.00 C ATOM 0 H LEU A 124 6.044 -10.078 3.117 1.00 0.00 H new ATOM 0 HA LEU A 124 6.502 -11.939 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 124 8.287 -9.763 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.694 -10.693 0.801 1.00 0.00 H new ATOM 0 HG LEU A 124 6.455 -9.869 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 124 5.703 -7.668 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 124 5.511 -8.945 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 124 6.871 -7.801 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.569 -7.701 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.709 -7.887 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.739 -9.042 -0.840 1.00 0.00 H new ATOM 1669 N ALA A 125 8.481 -12.161 3.771 1.00 0.00 N ATOM 1670 CA ALA A 125 9.442 -12.999 4.477 1.00 0.00 C ATOM 1671 C ALA A 125 8.921 -14.433 4.761 1.00 0.00 C ATOM 1672 O ALA A 125 9.706 -15.355 4.988 1.00 0.00 O ATOM 1673 CB ALA A 125 9.888 -12.279 5.756 1.00 0.00 C ATOM 0 H ALA A 125 8.208 -11.323 4.285 1.00 0.00 H new ATOM 0 HA ALA A 125 10.304 -13.146 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.607 -12.899 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.352 -11.328 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.022 -12.098 6.392 1.00 0.00 H new ATOM 1679 N GLU A 126 7.600 -14.628 4.704 1.00 0.00 N ATOM 1680 CA GLU A 126 6.894 -15.909 4.834 1.00 0.00 C ATOM 1681 C GLU A 126 6.652 -16.534 3.449 1.00 0.00 C ATOM 1682 O GLU A 126 7.035 -17.681 3.204 1.00 0.00 O ATOM 1683 CB GLU A 126 5.552 -15.694 5.557 1.00 0.00 C ATOM 1684 CG GLU A 126 5.726 -15.446 7.064 1.00 0.00 C ATOM 1685 CD GLU A 126 4.402 -15.096 7.784 1.00 0.00 C ATOM 1686 OE1 GLU A 126 3.295 -15.360 7.251 1.00 0.00 O ATOM 1687 OE2 GLU A 126 4.460 -14.582 8.928 1.00 0.00 O ATOM 0 H GLU A 126 6.956 -13.851 4.557 1.00 0.00 H new ATOM 0 HA GLU A 126 7.511 -16.591 5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.035 -14.845 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.919 -16.568 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.157 -16.335 7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.437 -14.634 7.212 1.00 0.00 H new ATOM 1694 N ARG A 127 6.053 -15.771 2.522 1.00 0.00 N ATOM 1695 CA ARG A 127 5.746 -16.181 1.142 1.00 0.00 C ATOM 1696 C ARG A 127 6.995 -16.666 0.401 1.00 0.00 C ATOM 1697 O ARG A 127 6.947 -17.715 -0.231 1.00 0.00 O ATOM 1698 CB ARG A 127 5.061 -15.009 0.408 1.00 0.00 C ATOM 1699 CG ARG A 127 4.290 -15.401 -0.864 1.00 0.00 C ATOM 1700 CD ARG A 127 2.908 -15.988 -0.552 1.00 0.00 C ATOM 1701 NE ARG A 127 2.081 -16.100 -1.772 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.802 -16.426 -1.830 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.118 -16.753 -0.769 1.00 0.00 N ATOM 1704 NH2 ARG A 127 0.177 -16.429 -2.972 1.00 0.00 N ATOM 0 H ARG A 127 5.758 -14.815 2.720 1.00 0.00 H new ATOM 0 HA ARG A 127 5.063 -17.030 1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.371 -14.522 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.820 -14.273 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.174 -14.524 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.872 -16.129 -1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.023 -16.972 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.400 -15.357 0.177 1.00 0.00 H new ATOM 0 HE ARG A 127 2.545 -15.906 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.569 -16.763 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.868 -16.999 -0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 127 0.675 -16.179 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -0.810 -16.681 -3.012 1.00 0.00 H new ATOM 1718 N ARG A 128 8.129 -15.961 0.521 1.00 0.00 N ATOM 1719 CA ARG A 128 9.412 -16.277 -0.145 1.00 0.00 C ATOM 1720 C ARG A 128 9.881 -17.718 0.102 1.00 0.00 C ATOM 1721 O ARG A 128 10.257 -18.424 -0.832 1.00 0.00 O ATOM 1722 CB ARG A 128 10.486 -15.241 0.259 1.00 0.00 C ATOM 1723 CG ARG A 128 11.112 -15.372 1.659 1.00 0.00 C ATOM 1724 CD ARG A 128 12.134 -14.257 1.941 1.00 0.00 C ATOM 1725 NE ARG A 128 13.293 -14.304 1.024 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.272 -15.192 0.985 1.00 0.00 C ATOM 1727 NH1 ARG A 128 14.367 -16.168 1.845 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.188 -15.122 0.063 1.00 0.00 N ATOM 0 H ARG A 128 8.186 -15.125 1.103 1.00 0.00 H new ATOM 0 HA ARG A 128 9.248 -16.209 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.291 -15.288 -0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.042 -14.249 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.325 -15.341 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.600 -16.342 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.643 -13.288 1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.485 -14.342 2.969 1.00 0.00 H new ATOM 0 HE ARG A 128 13.344 -13.556 0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.670 -16.267 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.138 -16.832 1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.153 -14.379 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.941 -15.810 0.038 1.00 0.00 H new