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 X(o=0,f=0) 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=-0.0022) 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 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,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 K(o=0,f=-0.64) USER MOD Single : A 114 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.32) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.942 17.837 9.650 1.00 0.00 N ATOM 575 CA ASN A 56 -3.100 17.316 8.565 1.00 0.00 C ATOM 576 C ASN A 56 -2.536 15.913 8.888 1.00 0.00 C ATOM 577 O ASN A 56 -2.227 15.152 7.972 1.00 0.00 O ATOM 578 CB ASN A 56 -1.989 18.333 8.223 1.00 0.00 C ATOM 579 CG ASN A 56 -2.419 19.403 7.226 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.844 19.552 6.157 1.00 0.00 O ATOM 581 ND2 ASN A 56 -3.436 20.179 7.522 1.00 0.00 N ATOM 0 HA ASN A 56 -3.723 17.187 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.658 18.818 9.141 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.131 17.797 7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.739 20.897 6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.923 20.064 8.411 1.00 0.00 H new ATOM 588 N SER A 57 -2.454 15.525 10.169 1.00 0.00 N ATOM 589 CA SER A 57 -2.037 14.180 10.593 1.00 0.00 C ATOM 590 C SER A 57 -2.979 13.091 10.054 1.00 0.00 C ATOM 591 O SER A 57 -2.536 11.979 9.770 1.00 0.00 O ATOM 592 CB SER A 57 -1.955 14.106 12.121 1.00 0.00 C ATOM 593 OG SER A 57 -0.895 14.926 12.586 1.00 0.00 O ATOM 0 H SER A 57 -2.678 16.143 10.949 1.00 0.00 H new ATOM 0 HA SER A 57 -1.049 13.995 10.173 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.898 14.431 12.561 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.794 13.075 12.436 1.00 0.00 H new ATOM 0 HG SER A 57 -0.848 14.877 13.564 1.00 0.00 H new ATOM 599 N HIS A 58 -4.269 13.397 9.835 1.00 0.00 N ATOM 600 CA HIS A 58 -5.227 12.461 9.220 1.00 0.00 C ATOM 601 C HIS A 58 -4.850 12.156 7.764 1.00 0.00 C ATOM 602 O HIS A 58 -4.962 11.008 7.332 1.00 0.00 O ATOM 603 CB HIS A 58 -6.661 13.016 9.275 1.00 0.00 C ATOM 604 CG HIS A 58 -7.384 12.718 10.562 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.479 11.881 10.680 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.093 13.225 11.799 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.848 11.881 11.975 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.020 12.686 12.675 1.00 0.00 N ATOM 0 H HIS A 58 -4.677 14.299 10.079 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.185 11.536 9.795 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.627 14.096 9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.232 12.601 8.445 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.296 13.911 12.044 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.676 11.325 12.389 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.069 12.866 13.678 1.00 0.00 H new ATOM 617 N PHE A 59 -4.372 13.161 7.018 1.00 0.00 N ATOM 618 CA PHE A 59 -3.920 13.003 5.631 1.00 0.00 C ATOM 619 C PHE A 59 -2.820 11.945 5.527 1.00 0.00 C ATOM 620 O PHE A 59 -2.902 11.068 4.671 1.00 0.00 O ATOM 621 CB PHE A 59 -3.439 14.340 5.044 1.00 0.00 C ATOM 622 CG PHE A 59 -3.271 14.306 3.534 1.00 0.00 C ATOM 623 CD1 PHE A 59 -2.162 13.660 2.947 1.00 0.00 C ATOM 624 CD2 PHE A 59 -4.243 14.901 2.707 1.00 0.00 C ATOM 625 CE1 PHE A 59 -2.046 13.581 1.548 1.00 0.00 C ATOM 626 CE2 PHE A 59 -4.117 14.836 1.307 1.00 0.00 C ATOM 627 CZ PHE A 59 -3.024 14.168 0.727 1.00 0.00 C ATOM 0 H PHE A 59 -4.288 14.116 7.365 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.775 12.665 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.152 15.122 5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.488 14.609 5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.399 13.224 3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.088 15.409 3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.205 13.069 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.861 15.300 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.936 14.106 -0.348 1.00 0.00 H new ATOM 637 N PHE A 60 -1.820 11.996 6.417 1.00 0.00 N ATOM 638 CA PHE A 60 -0.756 10.994 6.498 1.00 0.00 C ATOM 639 C PHE A 60 -1.318 9.574 6.617 1.00 0.00 C ATOM 640 O PHE A 60 -1.005 8.729 5.782 1.00 0.00 O ATOM 641 CB PHE A 60 0.182 11.292 7.672 1.00 0.00 C ATOM 642 CG PHE A 60 1.105 10.132 8.005 1.00 0.00 C ATOM 643 CD1 PHE A 60 1.966 9.620 7.019 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.042 9.509 9.267 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.743 8.484 7.292 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.841 8.385 9.546 1.00 0.00 C ATOM 647 CZ PHE A 60 2.686 7.868 8.550 1.00 0.00 C ATOM 0 H PHE A 60 -1.729 12.742 7.106 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.189 11.051 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.783 12.170 7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.413 11.539 8.551 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.029 10.100 6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.377 9.896 10.024 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.390 8.081 6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.805 7.922 10.521 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.291 6.997 8.753 1.00 0.00 H new ATOM 657 N VAL A 61 -2.169 9.309 7.615 1.00 0.00 N ATOM 658 CA VAL A 61 -2.781 7.983 7.810 1.00 0.00 C ATOM 659 C VAL A 61 -3.534 7.522 6.554 1.00 0.00 C ATOM 660 O VAL A 61 -3.447 6.353 6.179 1.00 0.00 O ATOM 661 CB VAL A 61 -3.689 7.956 9.057 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.245 6.547 9.300 1.00 0.00 C ATOM 663 CG2 VAL A 61 -2.917 8.399 10.307 1.00 0.00 C ATOM 0 H VAL A 61 -2.454 10.001 8.308 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.972 7.273 7.983 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.512 8.647 8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.882 6.555 10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.829 6.232 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.420 5.852 9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.579 8.371 11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.075 7.726 10.472 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.547 9.415 10.165 1.00 0.00 H new ATOM 673 N ALA A 62 -4.205 8.446 5.858 1.00 0.00 N ATOM 674 CA ALA A 62 -4.893 8.181 4.593 1.00 0.00 C ATOM 675 C ALA A 62 -3.919 7.779 3.463 1.00 0.00 C ATOM 676 O ALA A 62 -4.013 6.677 2.922 1.00 0.00 O ATOM 677 CB ALA A 62 -5.758 9.397 4.214 1.00 0.00 C ATOM 0 H ALA A 62 -4.286 9.415 6.165 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.546 7.319 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.270 9.200 3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.495 9.578 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.122 10.276 4.104 1.00 0.00 H new ATOM 683 N THR A 63 -2.973 8.658 3.106 1.00 0.00 N ATOM 684 CA THR A 63 -1.993 8.439 2.023 1.00 0.00 C ATOM 685 C THR A 63 -1.082 7.232 2.291 1.00 0.00 C ATOM 686 O THR A 63 -0.792 6.452 1.381 1.00 0.00 O ATOM 687 CB THR A 63 -1.196 9.726 1.729 1.00 0.00 C ATOM 688 OG1 THR A 63 -0.487 9.593 0.517 1.00 0.00 O ATOM 689 CG2 THR A 63 -0.197 10.131 2.800 1.00 0.00 C ATOM 0 H THR A 63 -2.862 9.560 3.568 1.00 0.00 H new ATOM 0 HA THR A 63 -2.554 8.192 1.122 1.00 0.00 H new ATOM 0 HB THR A 63 -1.955 10.507 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.014 10.416 0.339 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.310 11.047 2.497 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.721 10.300 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.537 9.336 2.932 1.00 0.00 H new ATOM 697 N PHE A 64 -0.701 7.005 3.553 1.00 0.00 N ATOM 698 CA PHE A 64 0.073 5.847 3.992 1.00 0.00 C ATOM 699 C PHE A 64 -0.695 4.544 3.744 1.00 0.00 C ATOM 700 O PHE A 64 -0.196 3.644 3.067 1.00 0.00 O ATOM 701 CB PHE A 64 0.429 6.007 5.479 1.00 0.00 C ATOM 702 CG PHE A 64 1.314 4.893 5.981 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.748 3.652 6.322 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.708 5.070 6.031 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.577 2.574 6.652 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.535 3.996 6.387 1.00 0.00 C ATOM 707 CZ PHE A 64 2.970 2.746 6.678 1.00 0.00 C ATOM 0 H PHE A 64 -0.931 7.642 4.316 1.00 0.00 H new ATOM 0 HA PHE A 64 0.994 5.793 3.411 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.932 6.962 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.487 6.033 6.069 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.325 3.531 6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.140 6.031 5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.146 1.612 6.886 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.605 4.131 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.610 1.911 6.923 1.00 0.00 H new ATOM 717 N ALA A 65 -1.919 4.433 4.276 1.00 0.00 N ATOM 718 CA ALA A 65 -2.757 3.249 4.106 1.00 0.00 C ATOM 719 C ALA A 65 -3.088 2.980 2.627 1.00 0.00 C ATOM 720 O ALA A 65 -3.078 1.830 2.190 1.00 0.00 O ATOM 721 CB ALA A 65 -4.023 3.407 4.949 1.00 0.00 C ATOM 0 H ALA A 65 -2.353 5.166 4.837 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.203 2.376 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.654 2.526 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.750 3.515 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.569 4.292 4.623 1.00 0.00 H new ATOM 727 N ARG A 66 -3.328 4.032 1.834 1.00 0.00 N ATOM 728 CA ARG A 66 -3.554 3.946 0.382 1.00 0.00 C ATOM 729 C ARG A 66 -2.360 3.314 -0.342 1.00 0.00 C ATOM 730 O ARG A 66 -2.546 2.465 -1.214 1.00 0.00 O ATOM 731 CB ARG A 66 -3.866 5.356 -0.141 1.00 0.00 C ATOM 732 CG ARG A 66 -4.109 5.393 -1.658 1.00 0.00 C ATOM 733 CD ARG A 66 -4.473 6.803 -2.146 1.00 0.00 C ATOM 734 NE ARG A 66 -5.712 7.321 -1.525 1.00 0.00 N ATOM 735 CZ ARG A 66 -6.958 6.953 -1.766 1.00 0.00 C ATOM 736 NH1 ARG A 66 -7.259 6.055 -2.662 1.00 0.00 N ATOM 737 NH2 ARG A 66 -7.940 7.485 -1.097 1.00 0.00 N ATOM 0 H ARG A 66 -3.372 4.987 2.189 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.401 3.291 0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.747 5.741 0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.038 6.020 0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.215 5.049 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.912 4.702 -1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.650 7.483 -1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.593 6.788 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.589 8.052 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.520 5.610 -3.206 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.233 5.798 -2.819 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.749 8.189 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.900 7.198 -1.286 1.00 0.00 H new ATOM 751 N GLU A 67 -1.143 3.703 0.031 1.00 0.00 N ATOM 752 CA GLU A 67 0.097 3.131 -0.501 1.00 0.00 C ATOM 753 C GLU A 67 0.291 1.676 -0.051 1.00 0.00 C ATOM 754 O GLU A 67 0.393 0.793 -0.907 1.00 0.00 O ATOM 755 CB GLU A 67 1.296 4.001 -0.096 1.00 0.00 C ATOM 756 CG GLU A 67 1.567 5.181 -1.038 1.00 0.00 C ATOM 757 CD GLU A 67 1.876 4.740 -2.484 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.798 3.915 -2.695 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.200 5.223 -3.424 1.00 0.00 O ATOM 0 H GLU A 67 -0.985 4.436 0.722 1.00 0.00 H new ATOM 0 HA GLU A 67 0.025 3.120 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.128 4.386 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.187 3.374 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.700 5.841 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.406 5.760 -0.654 1.00 0.00 H new ATOM 766 N ARG A 68 0.311 1.391 1.263 1.00 0.00 N ATOM 767 CA ARG A 68 0.522 0.016 1.767 1.00 0.00 C ATOM 768 C ARG A 68 -0.506 -0.986 1.238 1.00 0.00 C ATOM 769 O ARG A 68 -0.133 -2.116 0.943 1.00 0.00 O ATOM 770 CB ARG A 68 0.648 -0.057 3.301 1.00 0.00 C ATOM 771 CG ARG A 68 -0.518 0.475 4.134 1.00 0.00 C ATOM 772 CD ARG A 68 -1.058 -0.505 5.182 1.00 0.00 C ATOM 773 NE ARG A 68 -0.005 -1.103 6.030 1.00 0.00 N ATOM 774 CZ ARG A 68 -0.120 -2.231 6.706 1.00 0.00 C ATOM 775 NH1 ARG A 68 -1.253 -2.865 6.807 1.00 0.00 N ATOM 776 NH2 ARG A 68 0.910 -2.772 7.283 1.00 0.00 N ATOM 0 H ARG A 68 0.184 2.089 1.995 1.00 0.00 H new ATOM 0 HA ARG A 68 1.488 -0.283 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.808 -1.100 3.575 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.545 0.491 3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.199 1.387 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.331 0.751 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.774 0.015 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.602 -1.303 4.676 1.00 0.00 H new ATOM 0 HE ARG A 68 0.882 -0.604 6.098 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.088 -2.492 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.305 -3.735 7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.824 -2.325 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.804 -3.644 7.802 1.00 0.00 H new ATOM 790 N ALA A 69 -1.761 -0.573 1.052 1.00 0.00 N ATOM 791 CA ALA A 69 -2.836 -1.402 0.496 1.00 0.00 C ATOM 792 C ALA A 69 -2.495 -1.994 -0.888 1.00 0.00 C ATOM 793 O ALA A 69 -2.699 -3.188 -1.114 1.00 0.00 O ATOM 794 CB ALA A 69 -4.122 -0.569 0.447 1.00 0.00 C ATOM 0 H ALA A 69 -2.067 0.371 1.289 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.973 -2.264 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.931 -1.173 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.386 -0.247 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.965 0.306 -0.184 1.00 0.00 H new ATOM 800 N ALA A 70 -1.942 -1.187 -1.802 1.00 0.00 N ATOM 801 CA ALA A 70 -1.479 -1.651 -3.114 1.00 0.00 C ATOM 802 C ALA A 70 -0.348 -2.696 -3.004 1.00 0.00 C ATOM 803 O ALA A 70 -0.372 -3.718 -3.695 1.00 0.00 O ATOM 804 CB ALA A 70 -1.059 -0.431 -3.947 1.00 0.00 C ATOM 0 H ALA A 70 -1.803 -0.188 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.298 -2.166 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.712 -0.761 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.912 0.237 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.255 0.099 -3.437 1.00 0.00 H new ATOM 810 N VAL A 71 0.623 -2.481 -2.106 1.00 0.00 N ATOM 811 CA VAL A 71 1.725 -3.430 -1.844 1.00 0.00 C ATOM 812 C VAL A 71 1.223 -4.748 -1.241 1.00 0.00 C ATOM 813 O VAL A 71 1.691 -5.830 -1.604 1.00 0.00 O ATOM 814 CB VAL A 71 2.798 -2.814 -0.922 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.047 -3.704 -0.885 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.196 -1.412 -1.398 1.00 0.00 C ATOM 0 H VAL A 71 0.670 -1.638 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 71 2.175 -3.647 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 71 2.370 -2.741 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.794 -3.255 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.779 -4.691 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.456 -3.799 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.953 -1.002 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.598 -1.472 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.320 -0.764 -1.394 1.00 0.00 H new ATOM 826 N GLU A 72 0.234 -4.673 -0.350 1.00 0.00 N ATOM 827 CA GLU A 72 -0.428 -5.829 0.263 1.00 0.00 C ATOM 828 C GLU A 72 -1.141 -6.716 -0.778 1.00 0.00 C ATOM 829 O GLU A 72 -1.225 -7.931 -0.608 1.00 0.00 O ATOM 830 CB GLU A 72 -1.377 -5.328 1.368 1.00 0.00 C ATOM 831 CG GLU A 72 -1.293 -6.141 2.667 1.00 0.00 C ATOM 832 CD GLU A 72 -2.342 -7.267 2.748 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.563 -6.969 2.743 1.00 0.00 O ATOM 834 OE2 GLU A 72 -1.956 -8.454 2.876 1.00 0.00 O ATOM 0 H GLU A 72 -0.141 -3.782 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 72 0.325 -6.476 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.148 -4.285 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.401 -5.358 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.297 -6.575 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.423 -5.471 3.517 1.00 0.00 H new ATOM 841 N GLU A 73 -1.619 -6.133 -1.883 1.00 0.00 N ATOM 842 CA GLU A 73 -2.223 -6.874 -3.000 1.00 0.00 C ATOM 843 C GLU A 73 -1.141 -7.548 -3.872 1.00 0.00 C ATOM 844 O GLU A 73 -1.304 -8.694 -4.293 1.00 0.00 O ATOM 845 CB GLU A 73 -3.092 -5.936 -3.857 1.00 0.00 C ATOM 846 CG GLU A 73 -4.087 -6.732 -4.720 1.00 0.00 C ATOM 847 CD GLU A 73 -4.851 -5.885 -5.763 1.00 0.00 C ATOM 848 OE1 GLU A 73 -4.585 -4.668 -5.924 1.00 0.00 O ATOM 849 OE2 GLU A 73 -5.735 -6.449 -6.452 1.00 0.00 O ATOM 0 H GLU A 73 -1.598 -5.124 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.856 -7.657 -2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.637 -5.249 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.453 -5.330 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.546 -7.523 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.810 -7.217 -4.064 1.00 0.00 H new ATOM 856 N LEU A 74 -0.017 -6.860 -4.117 1.00 0.00 N ATOM 857 CA LEU A 74 1.129 -7.369 -4.883 1.00 0.00 C ATOM 858 C LEU A 74 1.699 -8.658 -4.274 1.00 0.00 C ATOM 859 O LEU A 74 1.813 -9.658 -4.985 1.00 0.00 O ATOM 860 CB LEU A 74 2.198 -6.266 -5.022 1.00 0.00 C ATOM 861 CG LEU A 74 3.556 -6.733 -5.587 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.472 -7.357 -6.977 1.00 0.00 C ATOM 863 CD2 LEU A 74 4.508 -5.543 -5.686 1.00 0.00 C ATOM 0 H LEU A 74 0.124 -5.908 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 74 0.786 -7.637 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.805 -5.481 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.365 -5.819 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 74 3.910 -7.497 -4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.468 -7.658 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.821 -8.231 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.067 -6.628 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.466 -5.876 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.081 -4.790 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.657 -5.113 -4.696 1.00 0.00 H new ATOM 875 N LEU A 75 2.050 -8.658 -2.982 1.00 0.00 N ATOM 876 CA LEU A 75 2.572 -9.861 -2.320 1.00 0.00 C ATOM 877 C LEU A 75 1.571 -11.031 -2.362 1.00 0.00 C ATOM 878 O LEU A 75 1.969 -12.172 -2.586 1.00 0.00 O ATOM 879 CB LEU A 75 3.099 -9.528 -0.910 1.00 0.00 C ATOM 880 CG LEU A 75 2.045 -9.168 0.157 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.595 -10.392 0.963 1.00 0.00 C ATOM 882 CD2 LEU A 75 2.615 -8.154 1.151 1.00 0.00 C ATOM 0 H LEU A 75 1.982 -7.841 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 75 3.432 -10.218 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.670 -10.384 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.795 -8.694 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 75 1.193 -8.756 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.853 -10.089 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.157 -11.130 0.290 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.455 -10.829 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.858 -7.911 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.488 -8.580 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.905 -7.247 0.620 1.00 0.00 H new ATOM 894 N GLU A 76 0.268 -10.767 -2.236 1.00 0.00 N ATOM 895 CA GLU A 76 -0.783 -11.783 -2.366 1.00 0.00 C ATOM 896 C GLU A 76 -0.906 -12.368 -3.782 1.00 0.00 C ATOM 897 O GLU A 76 -1.261 -13.538 -3.939 1.00 0.00 O ATOM 898 CB GLU A 76 -2.129 -11.188 -1.933 1.00 0.00 C ATOM 899 CG GLU A 76 -2.385 -11.299 -0.422 1.00 0.00 C ATOM 900 CD GLU A 76 -2.821 -12.716 0.012 1.00 0.00 C ATOM 901 OE1 GLU A 76 -2.089 -13.702 -0.255 1.00 0.00 O ATOM 902 OE2 GLU A 76 -3.903 -12.855 0.634 1.00 0.00 O ATOM 0 H GLU A 76 -0.092 -9.833 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.498 -12.610 -1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.165 -10.138 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.932 -11.695 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.478 -11.023 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.156 -10.584 -0.136 1.00 0.00 H new ATOM 909 N ARG A 77 -0.585 -11.585 -4.819 1.00 0.00 N ATOM 910 CA ARG A 77 -0.549 -12.021 -6.225 1.00 0.00 C ATOM 911 C ARG A 77 0.856 -12.419 -6.709 1.00 0.00 C ATOM 912 O ARG A 77 1.068 -12.555 -7.916 1.00 0.00 O ATOM 913 CB ARG A 77 -1.215 -10.957 -7.122 1.00 0.00 C ATOM 914 CG ARG A 77 -2.749 -11.091 -7.101 1.00 0.00 C ATOM 915 CD ARG A 77 -3.417 -10.336 -8.259 1.00 0.00 C ATOM 916 NE ARG A 77 -3.035 -10.900 -9.573 1.00 0.00 N ATOM 917 CZ ARG A 77 -3.381 -10.463 -10.771 1.00 0.00 C ATOM 918 NH1 ARG A 77 -4.203 -9.465 -10.932 1.00 0.00 N ATOM 919 NH2 ARG A 77 -2.898 -11.027 -11.841 1.00 0.00 N ATOM 0 H ARG A 77 -0.336 -10.603 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.128 -12.942 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.930 -9.961 -6.782 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.852 -11.061 -8.145 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.020 -12.145 -7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.132 -10.711 -6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.500 -10.380 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.135 -9.284 -8.219 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.433 -11.723 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.601 -8.995 -10.118 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.449 -9.153 -11.872 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.250 -11.810 -11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.168 -10.686 -12.764 1.00 0.00 H new ATOM 933 N ALA A 78 1.818 -12.626 -5.805 1.00 0.00 N ATOM 934 CA ALA A 78 3.174 -13.062 -6.140 1.00 0.00 C ATOM 935 C ALA A 78 3.216 -14.502 -6.701 1.00 0.00 C ATOM 936 O ALA A 78 3.482 -15.467 -5.984 1.00 0.00 O ATOM 937 CB ALA A 78 4.098 -12.854 -4.929 1.00 0.00 C ATOM 0 H ALA A 78 1.673 -12.493 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 78 3.546 -12.441 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.107 -13.180 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.114 -11.798 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.729 -13.437 -4.085 1.00 0.00 H new ATOM 943 N GLU A 79 2.949 -14.644 -8.003 1.00 0.00 N ATOM 944 CA GLU A 79 3.024 -15.904 -8.762 1.00 0.00 C ATOM 945 C GLU A 79 4.465 -16.423 -8.945 1.00 0.00 C ATOM 946 O GLU A 79 4.675 -17.612 -9.197 1.00 0.00 O ATOM 947 CB GLU A 79 2.340 -15.721 -10.131 1.00 0.00 C ATOM 948 CG GLU A 79 3.140 -14.857 -11.123 1.00 0.00 C ATOM 949 CD GLU A 79 2.356 -14.630 -12.429 1.00 0.00 C ATOM 950 OE1 GLU A 79 2.452 -15.472 -13.356 1.00 0.00 O ATOM 951 OE2 GLU A 79 1.653 -13.597 -12.546 1.00 0.00 O ATOM 0 H GLU A 79 2.663 -13.855 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 79 2.502 -16.662 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.171 -16.702 -10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.361 -15.267 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.373 -13.896 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.090 -15.342 -11.347 1.00 0.00 H new ATOM 958 N SER A 80 5.454 -15.532 -8.811 1.00 0.00 N ATOM 959 CA SER A 80 6.891 -15.797 -8.927 1.00 0.00 C ATOM 960 C SER A 80 7.701 -14.968 -7.921 1.00 0.00 C ATOM 961 O SER A 80 7.222 -13.967 -7.375 1.00 0.00 O ATOM 962 CB SER A 80 7.361 -15.498 -10.359 1.00 0.00 C ATOM 963 OG SER A 80 7.337 -14.103 -10.621 1.00 0.00 O ATOM 0 H SER A 80 5.261 -14.551 -8.607 1.00 0.00 H new ATOM 0 HA SER A 80 7.060 -16.850 -8.700 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.371 -15.881 -10.501 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.720 -16.017 -11.072 1.00 0.00 H new ATOM 0 HG SER A 80 7.642 -13.937 -11.538 1.00 0.00 H new ATOM 969 N VAL A 81 8.963 -15.357 -7.707 1.00 0.00 N ATOM 970 CA VAL A 81 9.930 -14.676 -6.819 1.00 0.00 C ATOM 971 C VAL A 81 10.187 -13.210 -7.233 1.00 0.00 C ATOM 972 O VAL A 81 10.556 -12.379 -6.407 1.00 0.00 O ATOM 973 CB VAL A 81 11.261 -15.466 -6.760 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.191 -14.940 -5.661 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.054 -16.961 -6.464 1.00 0.00 C ATOM 0 H VAL A 81 9.359 -16.181 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 81 9.485 -14.650 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 81 11.700 -15.331 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.112 -15.522 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.425 -13.893 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.698 -15.031 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.021 -17.463 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.556 -17.076 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.438 -17.405 -7.246 1.00 0.00 H new ATOM 985 N GLU A 82 9.933 -12.844 -8.494 1.00 0.00 N ATOM 986 CA GLU A 82 10.048 -11.462 -8.996 1.00 0.00 C ATOM 987 C GLU A 82 9.147 -10.485 -8.223 1.00 0.00 C ATOM 988 O GLU A 82 9.622 -9.475 -7.698 1.00 0.00 O ATOM 989 CB GLU A 82 9.708 -11.392 -10.494 1.00 0.00 C ATOM 990 CG GLU A 82 10.639 -12.237 -11.370 1.00 0.00 C ATOM 991 CD GLU A 82 10.321 -12.026 -12.863 1.00 0.00 C ATOM 992 OE1 GLU A 82 10.854 -11.066 -13.472 1.00 0.00 O ATOM 993 OE2 GLU A 82 9.537 -12.820 -13.441 1.00 0.00 O ATOM 0 H GLU A 82 9.637 -13.508 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 82 11.085 -11.162 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.681 -11.725 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.756 -10.354 -10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.677 -11.968 -11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.529 -13.291 -11.115 1.00 0.00 H new ATOM 1000 N ARG A 83 7.847 -10.800 -8.112 1.00 0.00 N ATOM 1001 CA ARG A 83 6.860 -10.029 -7.340 1.00 0.00 C ATOM 1002 C ARG A 83 7.199 -9.977 -5.851 1.00 0.00 C ATOM 1003 O ARG A 83 6.879 -8.990 -5.190 1.00 0.00 O ATOM 1004 CB ARG A 83 5.470 -10.652 -7.519 1.00 0.00 C ATOM 1005 CG ARG A 83 4.789 -10.329 -8.855 1.00 0.00 C ATOM 1006 CD ARG A 83 5.399 -11.003 -10.092 1.00 0.00 C ATOM 1007 NE ARG A 83 4.640 -10.658 -11.309 1.00 0.00 N ATOM 1008 CZ ARG A 83 4.734 -9.553 -12.029 1.00 0.00 C ATOM 1009 NH1 ARG A 83 5.552 -8.585 -11.722 1.00 0.00 N ATOM 1010 NH2 ARG A 83 3.991 -9.393 -13.087 1.00 0.00 N ATOM 0 H ARG A 83 7.443 -11.618 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 83 6.875 -9.007 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.557 -11.734 -7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.827 -10.311 -6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.740 -10.618 -8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.813 -9.249 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.437 -10.691 -10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.404 -12.085 -9.956 1.00 0.00 H new ATOM 0 HE ARG A 83 3.965 -11.351 -11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.150 -8.664 -10.900 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.594 -7.749 -12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.333 -10.122 -13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.067 -8.539 -13.639 1.00 0.00 H new ATOM 1024 N LEU A 84 7.864 -11.015 -5.341 1.00 0.00 N ATOM 1025 CA LEU A 84 8.354 -11.087 -3.969 1.00 0.00 C ATOM 1026 C LEU A 84 9.368 -9.957 -3.699 1.00 0.00 C ATOM 1027 O LEU A 84 9.128 -9.077 -2.877 1.00 0.00 O ATOM 1028 CB LEU A 84 8.925 -12.498 -3.698 1.00 0.00 C ATOM 1029 CG LEU A 84 8.929 -12.869 -2.212 1.00 0.00 C ATOM 1030 CD1 LEU A 84 7.535 -13.288 -1.744 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.875 -14.037 -1.940 1.00 0.00 C ATOM 0 H LEU A 84 8.081 -11.849 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 84 7.534 -10.932 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.338 -13.233 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.944 -12.551 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 84 9.258 -11.982 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.569 -13.546 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.838 -12.464 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.203 -14.154 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.858 -14.279 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.555 -14.906 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.888 -13.761 -2.233 1.00 0.00 H new ATOM 1043 N GLU A 85 10.482 -9.933 -4.431 1.00 0.00 N ATOM 1044 CA GLU A 85 11.498 -8.877 -4.299 1.00 0.00 C ATOM 1045 C GLU A 85 10.942 -7.476 -4.618 1.00 0.00 C ATOM 1046 O GLU A 85 11.297 -6.506 -3.947 1.00 0.00 O ATOM 1047 CB GLU A 85 12.721 -9.178 -5.179 1.00 0.00 C ATOM 1048 CG GLU A 85 13.468 -10.444 -4.733 1.00 0.00 C ATOM 1049 CD GLU A 85 14.810 -10.593 -5.479 1.00 0.00 C ATOM 1050 OE1 GLU A 85 15.753 -9.809 -5.204 1.00 0.00 O ATOM 1051 OE2 GLU A 85 14.945 -11.503 -6.332 1.00 0.00 O ATOM 0 H GLU A 85 10.709 -10.640 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 85 11.805 -8.872 -3.253 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.400 -9.295 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.403 -8.328 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.649 -10.403 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.847 -11.320 -4.919 1.00 0.00 H new ATOM 1058 N GLU A 86 10.033 -7.360 -5.595 1.00 0.00 N ATOM 1059 CA GLU A 86 9.356 -6.104 -5.942 1.00 0.00 C ATOM 1060 C GLU A 86 8.538 -5.533 -4.770 1.00 0.00 C ATOM 1061 O GLU A 86 8.699 -4.361 -4.429 1.00 0.00 O ATOM 1062 CB GLU A 86 8.474 -6.317 -7.186 1.00 0.00 C ATOM 1063 CG GLU A 86 7.865 -5.030 -7.767 1.00 0.00 C ATOM 1064 CD GLU A 86 8.853 -4.142 -8.561 1.00 0.00 C ATOM 1065 OE1 GLU A 86 10.092 -4.284 -8.432 1.00 0.00 O ATOM 1066 OE2 GLU A 86 8.379 -3.273 -9.333 1.00 0.00 O ATOM 0 H GLU A 86 9.743 -8.148 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 86 10.122 -5.362 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.070 -6.802 -7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.666 -7.002 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.036 -5.301 -8.421 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.447 -4.442 -6.950 1.00 0.00 H new ATOM 1073 N ALA A 87 7.695 -6.342 -4.115 1.00 0.00 N ATOM 1074 CA ALA A 87 6.907 -5.935 -2.946 1.00 0.00 C ATOM 1075 C ALA A 87 7.778 -5.319 -1.831 1.00 0.00 C ATOM 1076 O ALA A 87 7.427 -4.281 -1.261 1.00 0.00 O ATOM 1077 CB ALA A 87 6.118 -7.149 -2.446 1.00 0.00 C ATOM 0 H ALA A 87 7.540 -7.313 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 87 6.217 -5.145 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.526 -6.865 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.456 -7.503 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.810 -7.944 -2.169 1.00 0.00 H new ATOM 1083 N ALA A 88 8.947 -5.910 -1.562 1.00 0.00 N ATOM 1084 CA ALA A 88 9.929 -5.385 -0.609 1.00 0.00 C ATOM 1085 C ALA A 88 10.538 -4.023 -1.007 1.00 0.00 C ATOM 1086 O ALA A 88 11.009 -3.291 -0.135 1.00 0.00 O ATOM 1087 CB ALA A 88 11.013 -6.449 -0.364 1.00 0.00 C ATOM 0 H ALA A 88 9.241 -6.779 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 88 9.397 -5.177 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.747 -6.064 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.553 -7.350 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.508 -6.688 -1.305 1.00 0.00 H new ATOM 1093 N SER A 89 10.507 -3.648 -2.286 1.00 0.00 N ATOM 1094 CA SER A 89 10.955 -2.335 -2.780 1.00 0.00 C ATOM 1095 C SER A 89 9.821 -1.310 -2.727 1.00 0.00 C ATOM 1096 O SER A 89 10.066 -0.141 -2.420 1.00 0.00 O ATOM 1097 CB SER A 89 11.488 -2.425 -4.215 1.00 0.00 C ATOM 1098 OG SER A 89 12.735 -3.102 -4.230 1.00 0.00 O ATOM 0 H SER A 89 10.163 -4.258 -3.028 1.00 0.00 H new ATOM 0 HA SER A 89 11.763 -2.011 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.772 -2.952 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.603 -1.424 -4.632 1.00 0.00 H new ATOM 0 HG SER A 89 13.067 -3.156 -5.151 1.00 0.00 H new ATOM 1104 N ARG A 90 8.568 -1.731 -2.958 1.00 0.00 N ATOM 1105 CA ARG A 90 7.391 -0.855 -2.828 1.00 0.00 C ATOM 1106 C ARG A 90 7.234 -0.332 -1.394 1.00 0.00 C ATOM 1107 O ARG A 90 7.004 0.861 -1.205 1.00 0.00 O ATOM 1108 CB ARG A 90 6.106 -1.566 -3.282 1.00 0.00 C ATOM 1109 CG ARG A 90 6.067 -2.106 -4.723 1.00 0.00 C ATOM 1110 CD ARG A 90 6.427 -1.076 -5.799 1.00 0.00 C ATOM 1111 NE ARG A 90 5.496 0.071 -5.794 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.667 1.241 -6.383 1.00 0.00 C ATOM 1113 NH1 ARG A 90 6.724 1.508 -7.095 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.766 2.173 -6.266 1.00 0.00 N ATOM 0 H ARG A 90 8.341 -2.685 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 90 7.557 -0.001 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.925 -2.401 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.275 -0.871 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.754 -2.948 -4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.068 -2.490 -4.926 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.444 -0.719 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.411 -1.553 -6.779 1.00 0.00 H new ATOM 0 HE ARG A 90 4.625 -0.054 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.452 0.803 -7.212 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.824 2.422 -7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.923 2.002 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.903 3.075 -6.723 1.00 0.00 H new ATOM 1128 N LEU A 91 7.413 -1.191 -0.381 1.00 0.00 N ATOM 1129 CA LEU A 91 7.358 -0.775 1.031 1.00 0.00 C ATOM 1130 C LEU A 91 8.552 0.111 1.439 1.00 0.00 C ATOM 1131 O LEU A 91 8.390 1.006 2.265 1.00 0.00 O ATOM 1132 CB LEU A 91 7.171 -2.016 1.929 1.00 0.00 C ATOM 1133 CG LEU A 91 8.463 -2.746 2.334 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.065 -2.195 3.634 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.193 -4.235 2.538 1.00 0.00 C ATOM 0 H LEU A 91 7.598 -2.185 -0.513 1.00 0.00 H new ATOM 0 HA LEU A 91 6.490 -0.131 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.648 -1.711 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.523 -2.723 1.411 1.00 0.00 H new ATOM 0 HG LEU A 91 9.171 -2.585 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.975 -2.745 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.302 -1.139 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.346 -2.310 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.117 -4.737 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.451 -4.366 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.818 -4.667 1.610 1.00 0.00 H new ATOM 1147 N GLN A 92 9.741 -0.080 0.852 1.00 0.00 N ATOM 1148 CA GLN A 92 10.919 0.757 1.138 1.00 0.00 C ATOM 1149 C GLN A 92 10.694 2.245 0.811 1.00 0.00 C ATOM 1150 O GLN A 92 11.253 3.121 1.472 1.00 0.00 O ATOM 1151 CB GLN A 92 12.156 0.200 0.410 1.00 0.00 C ATOM 1152 CG GLN A 92 12.860 -0.894 1.228 1.00 0.00 C ATOM 1153 CD GLN A 92 14.040 -1.507 0.472 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.967 -0.828 0.044 1.00 0.00 O ATOM 1155 NE2 GLN A 92 14.074 -2.810 0.293 1.00 0.00 N ATOM 0 H GLN A 92 9.915 -0.816 0.168 1.00 0.00 H new ATOM 0 HA GLN A 92 11.093 0.713 2.213 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.856 -0.206 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.856 1.012 0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.213 -0.472 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.144 -1.677 1.478 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.313 -3.393 0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.862 -3.237 -0.194 1.00 0.00 H new ATOM 1164 N GLY A 93 9.819 2.534 -0.154 1.00 0.00 N ATOM 1165 CA GLY A 93 9.404 3.891 -0.526 1.00 0.00 C ATOM 1166 C GLY A 93 8.436 4.544 0.472 1.00 0.00 C ATOM 1167 O GLY A 93 8.450 5.767 0.622 1.00 0.00 O ATOM 0 H GLY A 93 9.366 1.812 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.291 4.518 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.931 3.859 -1.507 1.00 0.00 H new ATOM 1171 N LEU A 94 7.636 3.758 1.208 1.00 0.00 N ATOM 1172 CA LEU A 94 6.748 4.265 2.266 1.00 0.00 C ATOM 1173 C LEU A 94 7.512 4.904 3.429 1.00 0.00 C ATOM 1174 O LEU A 94 7.005 5.838 4.044 1.00 0.00 O ATOM 1175 CB LEU A 94 5.839 3.143 2.804 1.00 0.00 C ATOM 1176 CG LEU A 94 4.476 3.050 2.113 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.722 1.830 2.638 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.624 4.289 2.407 1.00 0.00 C ATOM 0 H LEU A 94 7.586 2.747 1.085 1.00 0.00 H new ATOM 0 HA LEU A 94 6.140 5.043 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.355 2.189 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.682 3.299 3.871 1.00 0.00 H new ATOM 0 HG LEU A 94 4.649 2.973 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.751 1.763 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.298 0.929 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.578 1.927 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.661 4.196 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.465 4.374 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.139 5.179 2.045 1.00 0.00 H new ATOM 1190 N GLN A 95 8.740 4.466 3.720 1.00 0.00 N ATOM 1191 CA GLN A 95 9.551 5.053 4.795 1.00 0.00 C ATOM 1192 C GLN A 95 9.839 6.544 4.539 1.00 0.00 C ATOM 1193 O GLN A 95 9.920 7.344 5.475 1.00 0.00 O ATOM 1194 CB GLN A 95 10.854 4.249 4.965 1.00 0.00 C ATOM 1195 CG GLN A 95 11.340 4.277 6.423 1.00 0.00 C ATOM 1196 CD GLN A 95 12.541 3.357 6.639 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.448 2.290 7.231 1.00 0.00 O ATOM 1198 NE2 GLN A 95 13.715 3.726 6.170 1.00 0.00 N ATOM 0 H GLN A 95 9.198 3.702 3.224 1.00 0.00 H new ATOM 0 HA GLN A 95 8.984 4.998 5.724 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.691 3.217 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.625 4.660 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.610 5.297 6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.527 3.974 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.810 4.612 5.674 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.529 3.126 6.303 1.00 0.00 H new ATOM 1207 N LYS A 96 9.933 6.931 3.259 1.00 0.00 N ATOM 1208 CA LYS A 96 10.191 8.301 2.796 1.00 0.00 C ATOM 1209 C LYS A 96 9.042 9.273 3.089 1.00 0.00 C ATOM 1210 O LYS A 96 9.301 10.441 3.368 1.00 0.00 O ATOM 1211 CB LYS A 96 10.526 8.269 1.292 1.00 0.00 C ATOM 1212 CG LYS A 96 11.581 9.310 0.883 1.00 0.00 C ATOM 1213 CD LYS A 96 12.980 8.950 1.414 1.00 0.00 C ATOM 1214 CE LYS A 96 14.059 9.771 0.697 1.00 0.00 C ATOM 1215 NZ LYS A 96 15.427 9.376 1.133 1.00 0.00 N ATOM 0 H LYS A 96 9.827 6.272 2.488 1.00 0.00 H new ATOM 0 HA LYS A 96 11.041 8.685 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.885 7.274 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.614 8.441 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.614 9.386 -0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.290 10.290 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.027 9.137 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.168 7.886 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.966 9.634 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.904 10.831 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.132 9.951 0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.523 9.530 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.583 8.370 0.918 1.00 0.00 H new ATOM 1229 N LEU A 97 7.792 8.797 3.088 1.00 0.00 N ATOM 1230 CA LEU A 97 6.602 9.570 3.449 1.00 0.00 C ATOM 1231 C LEU A 97 6.716 10.089 4.891 1.00 0.00 C ATOM 1232 O LEU A 97 6.535 11.284 5.135 1.00 0.00 O ATOM 1233 CB LEU A 97 5.372 8.671 3.222 1.00 0.00 C ATOM 1234 CG LEU A 97 4.066 9.174 3.835 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.648 10.571 3.372 1.00 0.00 C ATOM 1236 CD2 LEU A 97 2.962 8.157 3.543 1.00 0.00 C ATOM 0 H LEU A 97 7.576 7.835 2.828 1.00 0.00 H new ATOM 0 HA LEU A 97 6.501 10.458 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.226 8.550 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.586 7.683 3.628 1.00 0.00 H new ATOM 0 HG LEU A 97 4.234 9.271 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.712 10.849 3.855 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.422 11.290 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.512 10.570 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.024 8.504 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.845 8.046 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.229 7.195 3.980 1.00 0.00 H new ATOM 1248 N ILE A 98 7.053 9.204 5.839 1.00 0.00 N ATOM 1249 CA ILE A 98 7.295 9.608 7.230 1.00 0.00 C ATOM 1250 C ILE A 98 8.555 10.476 7.313 1.00 0.00 C ATOM 1251 O ILE A 98 8.509 11.539 7.920 1.00 0.00 O ATOM 1252 CB ILE A 98 7.391 8.413 8.204 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.199 7.438 8.064 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.381 8.933 9.651 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.463 6.239 7.155 1.00 0.00 C ATOM 0 H ILE A 98 7.164 8.205 5.668 1.00 0.00 H new ATOM 0 HA ILE A 98 6.428 10.189 7.546 1.00 0.00 H new ATOM 0 HB ILE A 98 8.313 7.884 7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.926 7.074 9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.340 7.988 7.679 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.449 8.092 10.341 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.231 9.597 9.805 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.456 9.479 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.574 5.610 7.116 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.704 6.589 6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.299 5.661 7.548 1.00 0.00 H new ATOM 1267 N ASN A 99 9.666 10.067 6.685 1.00 0.00 N ATOM 1268 CA ASN A 99 10.940 10.799 6.731 1.00 0.00 C ATOM 1269 C ASN A 99 10.831 12.265 6.257 1.00 0.00 C ATOM 1270 O ASN A 99 11.549 13.128 6.764 1.00 0.00 O ATOM 1271 CB ASN A 99 11.984 10.022 5.912 1.00 0.00 C ATOM 1272 CG ASN A 99 13.387 10.586 6.074 1.00 0.00 C ATOM 1273 OD1 ASN A 99 13.933 10.661 7.166 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.031 10.978 4.997 1.00 0.00 N ATOM 0 H ASN A 99 9.707 9.214 6.127 1.00 0.00 H new ATOM 0 HA ASN A 99 11.249 10.864 7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.978 8.976 6.220 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.706 10.045 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.981 11.342 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.581 10.918 4.084 1.00 0.00 H new ATOM 1281 N ASP A 100 9.927 12.567 5.319 1.00 0.00 N ATOM 1282 CA ASP A 100 9.655 13.939 4.863 1.00 0.00 C ATOM 1283 C ASP A 100 8.995 14.804 5.957 1.00 0.00 C ATOM 1284 O ASP A 100 9.457 15.910 6.247 1.00 0.00 O ATOM 1285 CB ASP A 100 8.780 13.901 3.600 1.00 0.00 C ATOM 1286 CG ASP A 100 8.587 15.298 2.980 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.590 16.026 2.786 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.434 15.661 2.643 1.00 0.00 O ATOM 0 H ASP A 100 9.358 11.862 4.850 1.00 0.00 H new ATOM 0 HA ASP A 100 10.612 14.406 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.237 13.239 2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.806 13.478 3.848 1.00 0.00 H new ATOM 1293 N SER A 101 7.938 14.285 6.596 1.00 0.00 N ATOM 1294 CA SER A 101 7.134 14.977 7.624 1.00 0.00 C ATOM 1295 C SER A 101 7.452 14.495 9.053 1.00 0.00 C ATOM 1296 O SER A 101 6.600 14.533 9.940 1.00 0.00 O ATOM 1297 CB SER A 101 5.623 14.881 7.325 1.00 0.00 C ATOM 1298 OG SER A 101 5.315 14.992 5.943 1.00 0.00 O ATOM 0 H SER A 101 7.604 13.340 6.408 1.00 0.00 H new ATOM 0 HA SER A 101 7.419 16.028 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.246 13.929 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.101 15.667 7.871 1.00 0.00 H new ATOM 0 HG SER A 101 4.346 14.922 5.817 1.00 0.00 H new ATOM 1304 N VAL A 102 8.670 14.014 9.308 1.00 0.00 N ATOM 1305 CA VAL A 102 9.067 13.371 10.577 1.00 0.00 C ATOM 1306 C VAL A 102 8.949 14.297 11.790 1.00 0.00 C ATOM 1307 O VAL A 102 8.460 13.889 12.840 1.00 0.00 O ATOM 1308 CB VAL A 102 10.485 12.776 10.460 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.547 13.828 10.116 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.903 12.050 11.741 1.00 0.00 C ATOM 0 H VAL A 102 9.429 14.058 8.628 1.00 0.00 H new ATOM 0 HA VAL A 102 8.358 12.562 10.753 1.00 0.00 H new ATOM 0 HB VAL A 102 10.430 12.063 9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.524 13.350 10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.302 14.293 9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.570 14.590 10.895 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.908 11.645 11.618 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.894 12.751 12.576 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.206 11.237 11.942 1.00 0.00 H new ATOM 1320 N PHE A 103 9.337 15.564 11.633 1.00 0.00 N ATOM 1321 CA PHE A 103 9.196 16.609 12.654 1.00 0.00 C ATOM 1322 C PHE A 103 7.760 17.145 12.765 1.00 0.00 C ATOM 1323 O PHE A 103 7.470 17.976 13.630 1.00 0.00 O ATOM 1324 CB PHE A 103 10.177 17.746 12.332 1.00 0.00 C ATOM 1325 CG PHE A 103 11.621 17.307 12.147 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.237 16.461 13.092 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.347 17.730 11.017 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.565 16.039 12.905 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.677 17.313 10.834 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.287 16.466 11.777 1.00 0.00 C ATOM 0 H PHE A 103 9.768 15.902 10.773 1.00 0.00 H new ATOM 0 HA PHE A 103 9.428 16.170 13.624 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.845 18.247 11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.135 18.482 13.135 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.687 16.136 13.963 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.881 18.377 10.289 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.031 15.386 13.629 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.231 17.643 9.968 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.308 16.144 11.635 1.00 0.00 H new ATOM 1340 N PHE A 104 6.858 16.673 11.897 1.00 0.00 N ATOM 1341 CA PHE A 104 5.443 17.064 11.878 1.00 0.00 C ATOM 1342 C PHE A 104 4.571 15.994 12.553 1.00 0.00 C ATOM 1343 O PHE A 104 3.729 16.315 13.397 1.00 0.00 O ATOM 1344 CB PHE A 104 5.019 17.364 10.430 1.00 0.00 C ATOM 1345 CG PHE A 104 3.532 17.272 10.189 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.705 18.374 10.470 1.00 0.00 C ATOM 1347 CD2 PHE A 104 2.971 16.057 9.749 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.313 18.251 10.342 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.580 15.931 9.625 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.760 17.025 9.937 1.00 0.00 C ATOM 0 H PHE A 104 7.096 15.995 11.173 1.00 0.00 H new ATOM 0 HA PHE A 104 5.300 17.975 12.459 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.357 18.365 10.164 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.528 16.668 9.763 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.140 19.312 10.783 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.612 15.222 9.507 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.671 19.093 10.553 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.144 15.000 9.292 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.313 16.923 9.865 1.00 0.00 H new ATOM 1360 N LEU A 105 4.793 14.720 12.216 1.00 0.00 N ATOM 1361 CA LEU A 105 4.131 13.570 12.826 1.00 0.00 C ATOM 1362 C LEU A 105 4.479 13.441 14.319 1.00 0.00 C ATOM 1363 O LEU A 105 5.645 13.523 14.712 1.00 0.00 O ATOM 1364 CB LEU A 105 4.525 12.305 12.040 1.00 0.00 C ATOM 1365 CG LEU A 105 3.986 12.274 10.599 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.441 11.006 9.887 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.463 12.316 10.562 1.00 0.00 C ATOM 0 H LEU A 105 5.458 14.456 11.489 1.00 0.00 H new ATOM 0 HA LEU A 105 3.051 13.706 12.777 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.612 12.230 12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.158 11.428 12.574 1.00 0.00 H new ATOM 0 HG LEU A 105 4.381 13.158 10.098 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.051 11.000 8.869 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.530 10.976 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.068 10.134 10.423 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.123 12.292 9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.062 11.454 11.095 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.113 13.232 11.038 1.00 0.00 H new ATOM 1379 N ALA A 106 3.457 13.238 15.155 1.00 0.00 N ATOM 1380 CA ALA A 106 3.623 12.987 16.589 1.00 0.00 C ATOM 1381 C ALA A 106 4.369 11.664 16.839 1.00 0.00 C ATOM 1382 O ALA A 106 4.300 10.755 16.011 1.00 0.00 O ATOM 1383 CB ALA A 106 2.231 12.959 17.239 1.00 0.00 C ATOM 0 H ALA A 106 2.483 13.243 14.853 1.00 0.00 H new ATOM 0 HA ALA A 106 4.224 13.781 17.031 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.332 12.773 18.308 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.737 13.918 17.083 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.635 12.166 16.788 1.00 0.00 H new ATOM 1389 N ALA A 107 5.003 11.497 18.006 1.00 0.00 N ATOM 1390 CA ALA A 107 5.690 10.249 18.384 1.00 0.00 C ATOM 1391 C ALA A 107 4.770 9.014 18.258 1.00 0.00 C ATOM 1392 O ALA A 107 5.188 7.953 17.793 1.00 0.00 O ATOM 1393 CB ALA A 107 6.272 10.407 19.794 1.00 0.00 C ATOM 0 H ALA A 107 5.056 12.224 18.719 1.00 0.00 H new ATOM 0 HA ALA A 107 6.508 10.068 17.687 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.782 9.488 20.082 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.981 11.234 19.804 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.466 10.611 20.499 1.00 0.00 H new ATOM 1399 N TYR A 108 3.495 9.188 18.617 1.00 0.00 N ATOM 1400 CA TYR A 108 2.432 8.192 18.482 1.00 0.00 C ATOM 1401 C TYR A 108 2.178 7.816 17.011 1.00 0.00 C ATOM 1402 O TYR A 108 2.116 6.637 16.666 1.00 0.00 O ATOM 1403 CB TYR A 108 1.166 8.743 19.155 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.075 7.909 18.909 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.274 6.708 19.615 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.011 8.321 17.940 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.406 5.913 19.347 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.143 7.530 17.669 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.341 6.320 18.370 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.424 5.539 18.106 1.00 0.00 O ATOM 0 H TYR A 108 3.163 10.062 19.026 1.00 0.00 H new ATOM 0 HA TYR A 108 2.737 7.269 18.975 1.00 0.00 H new ATOM 0 HB2 TYR A 108 1.338 8.811 20.229 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.987 9.756 18.796 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.441 6.396 20.362 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.859 9.246 17.404 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.559 4.992 19.889 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.859 7.848 16.926 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.970 5.961 17.410 1.00 0.00 H new ATOM 1420 N ASP A 109 2.061 8.817 16.135 1.00 0.00 N ATOM 1421 CA ASP A 109 1.771 8.648 14.707 1.00 0.00 C ATOM 1422 C ASP A 109 2.954 8.031 13.942 1.00 0.00 C ATOM 1423 O ASP A 109 2.774 7.168 13.080 1.00 0.00 O ATOM 1424 CB ASP A 109 1.383 10.009 14.111 1.00 0.00 C ATOM 1425 CG ASP A 109 0.130 9.928 13.222 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.078 8.904 12.532 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.663 10.898 13.240 1.00 0.00 O ATOM 0 H ASP A 109 2.168 9.795 16.406 1.00 0.00 H new ATOM 0 HA ASP A 109 0.940 7.950 14.605 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.206 10.719 14.919 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.216 10.396 13.524 1.00 0.00 H new ATOM 1432 N LEU A 110 4.182 8.433 14.296 1.00 0.00 N ATOM 1433 CA LEU A 110 5.420 7.874 13.749 1.00 0.00 C ATOM 1434 C LEU A 110 5.433 6.361 14.006 1.00 0.00 C ATOM 1435 O LEU A 110 5.549 5.566 13.074 1.00 0.00 O ATOM 1436 CB LEU A 110 6.649 8.527 14.419 1.00 0.00 C ATOM 1437 CG LEU A 110 6.863 10.009 14.073 1.00 0.00 C ATOM 1438 CD1 LEU A 110 7.753 10.702 15.107 1.00 0.00 C ATOM 1439 CD2 LEU A 110 7.482 10.189 12.699 1.00 0.00 C ATOM 0 H LEU A 110 4.343 9.169 14.983 1.00 0.00 H new ATOM 0 HA LEU A 110 5.465 8.073 12.678 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.548 8.432 15.500 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.540 7.969 14.132 1.00 0.00 H new ATOM 0 HG LEU A 110 5.874 10.466 14.078 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.884 11.749 14.832 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.285 10.641 16.089 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.726 10.211 15.138 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.615 11.252 12.496 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.450 9.689 12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.826 9.755 11.945 1.00 0.00 H new ATOM 1451 N ARG A 111 5.248 5.960 15.274 1.00 0.00 N ATOM 1452 CA ARG A 111 5.175 4.551 15.697 1.00 0.00 C ATOM 1453 C ARG A 111 3.991 3.771 15.124 1.00 0.00 C ATOM 1454 O ARG A 111 4.066 2.549 15.035 1.00 0.00 O ATOM 1455 CB ARG A 111 5.224 4.444 17.230 1.00 0.00 C ATOM 1456 CG ARG A 111 6.616 4.786 17.792 1.00 0.00 C ATOM 1457 CD ARG A 111 6.775 4.366 19.265 1.00 0.00 C ATOM 1458 NE ARG A 111 6.667 5.485 20.220 1.00 0.00 N ATOM 1459 CZ ARG A 111 5.602 6.088 20.710 1.00 0.00 C ATOM 1460 NH1 ARG A 111 4.387 5.785 20.360 1.00 0.00 N ATOM 1461 NH2 ARG A 111 5.765 7.005 21.615 1.00 0.00 N ATOM 0 H ARG A 111 5.143 6.616 16.048 1.00 0.00 H new ATOM 0 HA ARG A 111 6.056 4.072 15.271 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.484 5.116 17.663 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.951 3.433 17.531 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.379 4.290 17.192 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.787 5.859 17.703 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.015 3.622 19.505 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.744 3.884 19.393 1.00 0.00 H new ATOM 0 HE ARG A 111 7.559 5.851 20.555 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.223 5.048 19.674 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.598 6.284 20.771 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.704 7.246 21.933 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.954 7.484 22.007 1.00 0.00 H new ATOM 1475 N GLN A 112 2.930 4.450 14.700 1.00 0.00 N ATOM 1476 CA GLN A 112 1.768 3.843 14.032 1.00 0.00 C ATOM 1477 C GLN A 112 2.076 3.490 12.561 1.00 0.00 C ATOM 1478 O GLN A 112 1.721 2.397 12.116 1.00 0.00 O ATOM 1479 CB GLN A 112 0.543 4.771 14.144 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.264 4.564 15.439 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.163 3.322 15.419 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -1.629 2.852 14.389 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.468 2.741 16.561 1.00 0.00 N ATOM 0 H GLN A 112 2.845 5.460 14.810 1.00 0.00 H new ATOM 0 HA GLN A 112 1.537 2.907 14.540 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.876 5.808 14.094 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.110 4.604 13.287 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.428 4.486 16.278 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.882 5.445 15.615 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.095 3.109 17.436 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.077 1.923 16.570 1.00 0.00 H new ATOM 1492 N GLY A 113 2.767 4.362 11.810 1.00 0.00 N ATOM 1493 CA GLY A 113 3.132 4.116 10.408 1.00 0.00 C ATOM 1494 C GLY A 113 4.393 3.266 10.240 1.00 0.00 C ATOM 1495 O GLY A 113 4.401 2.319 9.455 1.00 0.00 O ATOM 0 H GLY A 113 3.090 5.263 12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.301 3.620 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.280 5.073 9.907 1.00 0.00 H new ATOM 1499 N GLN A 114 5.462 3.561 10.990 1.00 0.00 N ATOM 1500 CA GLN A 114 6.728 2.818 10.900 1.00 0.00 C ATOM 1501 C GLN A 114 6.564 1.317 11.227 1.00 0.00 C ATOM 1502 O GLN A 114 7.183 0.476 10.576 1.00 0.00 O ATOM 1503 CB GLN A 114 7.810 3.469 11.781 1.00 0.00 C ATOM 1504 CG GLN A 114 8.283 4.849 11.264 1.00 0.00 C ATOM 1505 CD GLN A 114 9.735 5.155 11.647 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.638 4.333 11.537 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.042 6.358 12.080 1.00 0.00 N ATOM 0 H GLN A 114 5.476 4.318 11.674 1.00 0.00 H new ATOM 0 HA GLN A 114 7.053 2.872 9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.422 3.583 12.793 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.668 2.800 11.842 1.00 0.00 H new ATOM 0 HG2 GLN A 114 8.183 4.880 10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.633 5.626 11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.313 7.064 12.182 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.009 6.585 12.313 1.00 0.00 H new ATOM 1516 N GLU A 115 5.697 0.957 12.183 1.00 0.00 N ATOM 1517 CA GLU A 115 5.375 -0.448 12.509 1.00 0.00 C ATOM 1518 C GLU A 115 4.722 -1.193 11.338 1.00 0.00 C ATOM 1519 O GLU A 115 4.926 -2.393 11.144 1.00 0.00 O ATOM 1520 CB GLU A 115 4.440 -0.510 13.725 1.00 0.00 C ATOM 1521 CG GLU A 115 5.179 -0.667 15.062 1.00 0.00 C ATOM 1522 CD GLU A 115 5.481 -2.149 15.371 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.534 -2.916 15.675 1.00 0.00 O ATOM 1524 OE2 GLU A 115 6.668 -2.554 15.330 1.00 0.00 O ATOM 0 H GLU A 115 5.194 1.633 12.758 1.00 0.00 H new ATOM 0 HA GLU A 115 6.322 -0.940 12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.838 0.398 13.757 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.751 -1.345 13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.111 -0.103 15.032 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.576 -0.243 15.864 1.00 0.00 H new ATOM 1531 N ALA A 116 3.944 -0.467 10.542 1.00 0.00 N ATOM 1532 CA ALA A 116 3.193 -1.004 9.416 1.00 0.00 C ATOM 1533 C ALA A 116 4.107 -1.436 8.254 1.00 0.00 C ATOM 1534 O ALA A 116 3.774 -2.410 7.579 1.00 0.00 O ATOM 1535 CB ALA A 116 2.156 0.021 8.965 1.00 0.00 C ATOM 0 H ALA A 116 3.816 0.537 10.667 1.00 0.00 H new ATOM 0 HA ALA A 116 2.682 -1.908 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.592 -0.379 8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.475 0.236 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.660 0.939 8.662 1.00 0.00 H new ATOM 1541 N LEU A 117 5.234 -0.747 8.006 1.00 0.00 N ATOM 1542 CA LEU A 117 6.217 -1.156 6.983 1.00 0.00 C ATOM 1543 C LEU A 117 6.746 -2.569 7.283 1.00 0.00 C ATOM 1544 O LEU A 117 6.791 -3.434 6.405 1.00 0.00 O ATOM 1545 CB LEU A 117 7.422 -0.195 6.948 1.00 0.00 C ATOM 1546 CG LEU A 117 7.337 0.903 5.879 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.391 2.033 6.274 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.725 1.481 5.648 1.00 0.00 C ATOM 0 H LEU A 117 5.490 0.105 8.505 1.00 0.00 H new ATOM 0 HA LEU A 117 5.706 -1.136 6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.522 0.276 7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.328 -0.777 6.780 1.00 0.00 H new ATOM 0 HG LEU A 117 6.944 0.445 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.369 2.782 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.388 1.633 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.739 2.493 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.672 2.262 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.102 1.904 6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.396 0.692 5.310 1.00 0.00 H new ATOM 1560 N ALA A 118 7.127 -2.798 8.543 1.00 0.00 N ATOM 1561 CA ALA A 118 7.672 -4.073 9.023 1.00 0.00 C ATOM 1562 C ALA A 118 6.661 -5.219 8.866 1.00 0.00 C ATOM 1563 O ALA A 118 7.027 -6.367 8.600 1.00 0.00 O ATOM 1564 CB ALA A 118 8.050 -3.922 10.501 1.00 0.00 C ATOM 0 H ALA A 118 7.064 -2.089 9.273 1.00 0.00 H new ATOM 0 HA ALA A 118 8.548 -4.321 8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.457 -4.863 10.871 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.799 -3.137 10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.164 -3.658 11.078 1.00 0.00 H new ATOM 1570 N ARG A 119 5.371 -4.893 8.997 1.00 0.00 N ATOM 1571 CA ARG A 119 4.254 -5.820 8.820 1.00 0.00 C ATOM 1572 C ARG A 119 4.217 -6.379 7.392 1.00 0.00 C ATOM 1573 O ARG A 119 4.096 -7.590 7.213 1.00 0.00 O ATOM 1574 CB ARG A 119 2.957 -5.096 9.221 1.00 0.00 C ATOM 1575 CG ARG A 119 1.870 -6.022 9.782 1.00 0.00 C ATOM 1576 CD ARG A 119 0.771 -5.174 10.440 1.00 0.00 C ATOM 1577 NE ARG A 119 -0.247 -6.003 11.111 1.00 0.00 N ATOM 1578 CZ ARG A 119 -1.140 -5.595 11.996 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -1.237 -4.346 12.362 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -1.965 -6.442 12.540 1.00 0.00 N ATOM 0 H ARG A 119 5.069 -3.949 9.236 1.00 0.00 H new ATOM 0 HA ARG A 119 4.375 -6.690 9.466 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.193 -4.337 9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.561 -4.574 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 119 1.446 -6.630 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 119 2.301 -6.708 10.511 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.222 -4.498 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.291 -4.554 9.683 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.264 -6.993 10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.611 -3.647 11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -1.939 -4.069 13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.925 -7.429 12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.651 -6.119 13.222 1.00 0.00 H new ATOM 1594 N LEU A 120 4.391 -5.518 6.379 1.00 0.00 N ATOM 1595 CA LEU A 120 4.486 -5.922 4.966 1.00 0.00 C ATOM 1596 C LEU A 120 5.762 -6.744 4.707 1.00 0.00 C ATOM 1597 O LEU A 120 5.711 -7.756 4.006 1.00 0.00 O ATOM 1598 CB LEU A 120 4.426 -4.702 4.023 1.00 0.00 C ATOM 1599 CG LEU A 120 3.327 -3.662 4.294 1.00 0.00 C ATOM 1600 CD1 LEU A 120 3.256 -2.649 3.153 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.934 -4.274 4.463 1.00 0.00 C ATOM 0 H LEU A 120 4.471 -4.511 6.518 1.00 0.00 H new ATOM 0 HA LEU A 120 3.624 -6.553 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.390 -4.195 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.302 -5.068 3.004 1.00 0.00 H new ATOM 0 HG LEU A 120 3.606 -3.185 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.473 -1.920 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.214 -2.136 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.031 -3.167 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.209 -3.482 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.659 -4.809 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.941 -4.967 5.304 1.00 0.00 H new ATOM 1613 N GLN A 121 6.893 -6.349 5.310 1.00 0.00 N ATOM 1614 CA GLN A 121 8.166 -7.086 5.248 1.00 0.00 C ATOM 1615 C GLN A 121 8.008 -8.541 5.727 1.00 0.00 C ATOM 1616 O GLN A 121 8.484 -9.467 5.069 1.00 0.00 O ATOM 1617 CB GLN A 121 9.252 -6.362 6.076 1.00 0.00 C ATOM 1618 CG GLN A 121 10.075 -5.366 5.253 1.00 0.00 C ATOM 1619 CD GLN A 121 11.354 -4.927 5.965 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.337 -4.353 7.046 1.00 0.00 O ATOM 1621 NE2 GLN A 121 12.513 -5.170 5.388 1.00 0.00 N ATOM 0 H GLN A 121 6.951 -5.494 5.864 1.00 0.00 H new ATOM 0 HA GLN A 121 8.477 -7.114 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.777 -5.835 6.904 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.921 -7.103 6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.334 -5.819 4.296 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.465 -4.489 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 121 12.544 -5.647 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 121 13.379 -4.881 5.842 1.00 0.00 H new ATOM 1630 N ALA A 122 7.319 -8.761 6.851 1.00 0.00 N ATOM 1631 CA ALA A 122 7.034 -10.095 7.386 1.00 0.00 C ATOM 1632 C ALA A 122 5.982 -10.873 6.570 1.00 0.00 C ATOM 1633 O ALA A 122 6.144 -12.078 6.364 1.00 0.00 O ATOM 1634 CB ALA A 122 6.596 -9.941 8.846 1.00 0.00 C ATOM 0 H ALA A 122 6.938 -8.007 7.422 1.00 0.00 H new ATOM 0 HA ALA A 122 7.944 -10.691 7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.378 -10.923 9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.396 -9.471 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.702 -9.319 8.894 1.00 0.00 H new ATOM 1640 N ALA A 123 4.937 -10.212 6.054 1.00 0.00 N ATOM 1641 CA ALA A 123 3.932 -10.842 5.185 1.00 0.00 C ATOM 1642 C ALA A 123 4.557 -11.469 3.922 1.00 0.00 C ATOM 1643 O ALA A 123 4.094 -12.498 3.428 1.00 0.00 O ATOM 1644 CB ALA A 123 2.867 -9.802 4.812 1.00 0.00 C ATOM 0 H ALA A 123 4.764 -9.222 6.228 1.00 0.00 H new ATOM 0 HA ALA A 123 3.470 -11.661 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.118 -10.263 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.387 -9.432 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.338 -8.972 4.285 1.00 0.00 H new ATOM 1650 N LEU A 124 5.649 -10.881 3.431 1.00 0.00 N ATOM 1651 CA LEU A 124 6.434 -11.379 2.307 1.00 0.00 C ATOM 1652 C LEU A 124 7.095 -12.746 2.581 1.00 0.00 C ATOM 1653 O LEU A 124 7.053 -13.636 1.733 1.00 0.00 O ATOM 1654 CB LEU A 124 7.469 -10.295 1.966 1.00 0.00 C ATOM 1655 CG LEU A 124 8.003 -10.406 0.539 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.892 -10.085 -0.463 1.00 0.00 C ATOM 1657 CD2 LEU A 124 9.159 -9.429 0.343 1.00 0.00 C ATOM 0 H LEU A 124 6.022 -10.015 3.820 1.00 0.00 H new ATOM 0 HA LEU A 124 5.776 -11.567 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.017 -9.313 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.302 -10.363 2.666 1.00 0.00 H new ATOM 0 HG LEU A 124 8.354 -11.424 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.282 -10.167 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 124 6.070 -10.789 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 124 6.531 -9.070 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.537 -9.512 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.809 -8.412 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.958 -9.665 1.046 1.00 0.00 H new ATOM 1669 N ALA A 125 7.662 -12.952 3.774 1.00 0.00 N ATOM 1670 CA ALA A 125 8.238 -14.238 4.184 1.00 0.00 C ATOM 1671 C ALA A 125 7.211 -15.396 4.178 1.00 0.00 C ATOM 1672 O ALA A 125 7.579 -16.544 3.922 1.00 0.00 O ATOM 1673 CB ALA A 125 8.924 -14.062 5.546 1.00 0.00 C ATOM 0 H ALA A 125 7.735 -12.227 4.487 1.00 0.00 H new ATOM 0 HA ALA A 125 8.983 -14.535 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.356 -15.012 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.713 -13.314 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.191 -13.735 6.283 1.00 0.00 H new ATOM 1679 N GLU A 126 5.921 -15.115 4.390 1.00 0.00 N ATOM 1680 CA GLU A 126 4.849 -16.122 4.300 1.00 0.00 C ATOM 1681 C GLU A 126 4.665 -16.629 2.856 1.00 0.00 C ATOM 1682 O GLU A 126 4.389 -17.811 2.639 1.00 0.00 O ATOM 1683 CB GLU A 126 3.515 -15.566 4.828 1.00 0.00 C ATOM 1684 CG GLU A 126 3.607 -15.037 6.269 1.00 0.00 C ATOM 1685 CD GLU A 126 2.261 -14.523 6.829 1.00 0.00 C ATOM 1686 OE1 GLU A 126 1.177 -14.839 6.281 1.00 0.00 O ATOM 1687 OE2 GLU A 126 2.279 -13.806 7.860 1.00 0.00 O ATOM 0 H GLU A 126 5.586 -14.182 4.630 1.00 0.00 H new ATOM 0 HA GLU A 126 5.153 -16.962 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.179 -14.762 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.759 -16.350 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 126 3.980 -15.832 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.337 -14.229 6.304 1.00 0.00 H new ATOM 1694 N ARG A 127 4.858 -15.752 1.857 1.00 0.00 N ATOM 1695 CA ARG A 127 4.830 -16.080 0.419 1.00 0.00 C ATOM 1696 C ARG A 127 6.111 -16.777 -0.037 1.00 0.00 C ATOM 1697 O ARG A 127 6.043 -17.700 -0.851 1.00 0.00 O ATOM 1698 CB ARG A 127 4.556 -14.800 -0.393 1.00 0.00 C ATOM 1699 CG ARG A 127 3.056 -14.465 -0.406 1.00 0.00 C ATOM 1700 CD ARG A 127 2.349 -15.257 -1.516 1.00 0.00 C ATOM 1701 NE ARG A 127 0.880 -15.196 -1.405 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.016 -15.909 -2.103 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.394 -16.733 -3.042 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -1.257 -15.814 -1.859 1.00 0.00 N ATOM 0 H ARG A 127 5.044 -14.764 2.032 1.00 0.00 H new ATOM 0 HA ARG A 127 4.022 -16.790 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.114 -13.967 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.912 -14.931 -1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.613 -14.704 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.915 -13.396 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.653 -14.866 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.670 -16.298 -1.476 1.00 0.00 H new ATOM 0 HE ARG A 127 0.495 -14.541 -0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.385 -16.842 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.302 -17.268 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.591 -15.187 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.923 -16.366 -2.400 1.00 0.00 H new ATOM 1718 N ARG A 128 7.269 -16.410 0.532 1.00 0.00 N ATOM 1719 CA ARG A 128 8.569 -17.061 0.276 1.00 0.00 C ATOM 1720 C ARG A 128 8.498 -18.581 0.478 1.00 0.00 C ATOM 1721 O ARG A 128 9.020 -19.307 -0.360 1.00 0.00 O ATOM 1722 CB ARG A 128 9.664 -16.431 1.163 1.00 0.00 C ATOM 1723 CG ARG A 128 11.064 -16.934 0.776 1.00 0.00 C ATOM 1724 CD ARG A 128 12.148 -16.509 1.774 1.00 0.00 C ATOM 1725 NE ARG A 128 13.348 -17.364 1.650 1.00 0.00 N ATOM 1726 CZ ARG A 128 13.498 -18.603 2.092 1.00 0.00 C ATOM 1727 NH1 ARG A 128 12.572 -19.218 2.774 1.00 0.00 N ATOM 1728 NH2 ARG A 128 14.591 -19.266 1.850 1.00 0.00 N ATOM 0 H ARG A 128 7.333 -15.638 1.196 1.00 0.00 H new ATOM 0 HA ARG A 128 8.827 -16.893 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.628 -15.346 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.468 -16.668 2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.047 -18.022 0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.320 -16.555 -0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.420 -15.468 1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.757 -16.571 2.789 1.00 0.00 H new ATOM 0 HE ARG A 128 14.149 -16.954 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.694 -18.744 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.726 -20.173 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.343 -18.832 1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.696 -20.220 2.195 1.00 0.00 H new