USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 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 7:sc= 0.18 USER MOD Single : A 58 HIS : no HD1:sc= -0.0163 X(o=-0.016,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 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0384 K(o=-0.038,f=-0.61) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.87,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=-0.53) USER MOD Single : A 114 GLN : amide:sc= -0.0893 X(o=-0.089,f=-0.44) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.448 18.087 8.627 1.00 0.00 N ATOM 575 CA ASN A 56 -2.531 17.419 7.687 1.00 0.00 C ATOM 576 C ASN A 56 -2.145 15.998 8.152 1.00 0.00 C ATOM 577 O ASN A 56 -1.803 15.154 7.322 1.00 0.00 O ATOM 578 CB ASN A 56 -1.294 18.301 7.426 1.00 0.00 C ATOM 579 CG ASN A 56 -1.526 19.307 6.309 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.039 19.159 5.196 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.282 20.351 6.554 1.00 0.00 N ATOM 0 HA ASN A 56 -3.059 17.290 6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.030 18.832 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.446 17.666 7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.461 21.035 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.690 20.479 7.480 1.00 0.00 H new ATOM 588 N SER A 57 -2.253 15.692 9.451 1.00 0.00 N ATOM 589 CA SER A 57 -2.017 14.347 9.994 1.00 0.00 C ATOM 590 C SER A 57 -3.004 13.324 9.404 1.00 0.00 C ATOM 591 O SER A 57 -2.631 12.176 9.171 1.00 0.00 O ATOM 592 CB SER A 57 -2.114 14.360 11.524 1.00 0.00 C ATOM 593 OG SER A 57 -1.100 15.192 12.065 1.00 0.00 O ATOM 0 H SER A 57 -2.509 16.377 10.162 1.00 0.00 H new ATOM 0 HA SER A 57 -1.009 14.045 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.095 14.721 11.832 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.011 13.347 11.912 1.00 0.00 H new ATOM 0 HG SER A 57 -0.640 15.662 11.338 1.00 0.00 H new ATOM 599 N HIS A 58 -4.246 13.728 9.088 1.00 0.00 N ATOM 600 CA HIS A 58 -5.239 12.865 8.423 1.00 0.00 C ATOM 601 C HIS A 58 -4.833 12.529 6.978 1.00 0.00 C ATOM 602 O HIS A 58 -5.024 11.393 6.544 1.00 0.00 O ATOM 603 CB HIS A 58 -6.633 13.522 8.441 1.00 0.00 C ATOM 604 CG HIS A 58 -7.296 13.580 9.797 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.025 14.647 10.295 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.389 12.547 10.691 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.544 14.268 11.482 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.165 12.999 11.745 1.00 0.00 N ATOM 0 H HIS A 58 -4.592 14.667 9.287 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.278 11.931 8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.544 14.537 8.053 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.284 12.976 7.758 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.943 11.568 10.593 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.163 14.882 12.119 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.409 12.464 12.579 1.00 0.00 H new ATOM 617 N PHE A 59 -4.237 13.481 6.246 1.00 0.00 N ATOM 618 CA PHE A 59 -3.722 13.255 4.889 1.00 0.00 C ATOM 619 C PHE A 59 -2.687 12.127 4.870 1.00 0.00 C ATOM 620 O PHE A 59 -2.789 11.223 4.042 1.00 0.00 O ATOM 621 CB PHE A 59 -3.125 14.541 4.292 1.00 0.00 C ATOM 622 CG PHE A 59 -2.811 14.421 2.807 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.647 13.755 2.370 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.706 14.947 1.855 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.397 13.589 0.996 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.447 14.796 0.481 1.00 0.00 C ATOM 627 CZ PHE A 59 -2.298 14.110 0.051 1.00 0.00 C ATOM 0 H PHE A 59 -4.098 14.434 6.581 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.567 12.955 4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.824 15.363 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.212 14.795 4.831 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.944 13.371 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.594 15.468 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.514 13.062 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.132 15.208 -0.245 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.108 13.983 -1.004 1.00 0.00 H new ATOM 637 N PHE A 60 -1.727 12.147 5.804 1.00 0.00 N ATOM 638 CA PHE A 60 -0.727 11.089 5.962 1.00 0.00 C ATOM 639 C PHE A 60 -1.374 9.707 6.094 1.00 0.00 C ATOM 640 O PHE A 60 -1.036 8.815 5.321 1.00 0.00 O ATOM 641 CB PHE A 60 0.163 11.364 7.180 1.00 0.00 C ATOM 642 CG PHE A 60 1.021 10.171 7.568 1.00 0.00 C ATOM 643 CD1 PHE A 60 1.945 9.648 6.647 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.820 9.514 8.800 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.645 8.472 6.952 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.543 8.347 9.111 1.00 0.00 C ATOM 647 CZ PHE A 60 2.452 7.823 8.178 1.00 0.00 C ATOM 0 H PHE A 60 -1.624 12.907 6.477 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.114 11.090 5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.809 12.215 6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.464 11.644 8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.115 10.151 5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.107 9.909 9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.340 8.062 6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.399 7.857 10.063 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.001 6.921 8.405 1.00 0.00 H new ATOM 657 N VAL A 61 -2.323 9.530 7.023 1.00 0.00 N ATOM 658 CA VAL A 61 -3.047 8.257 7.186 1.00 0.00 C ATOM 659 C VAL A 61 -3.676 7.802 5.863 1.00 0.00 C ATOM 660 O VAL A 61 -3.602 6.623 5.528 1.00 0.00 O ATOM 661 CB VAL A 61 -4.106 8.329 8.307 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.789 6.972 8.525 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.478 8.748 9.644 1.00 0.00 C ATOM 0 H VAL A 61 -2.610 10.257 7.679 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.312 7.510 7.486 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.838 9.070 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.528 7.060 9.321 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.283 6.661 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.042 6.229 8.805 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.251 8.789 10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.718 8.022 9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.019 9.731 9.538 1.00 0.00 H new ATOM 673 N ALA A 62 -4.225 8.731 5.073 1.00 0.00 N ATOM 674 CA ALA A 62 -4.821 8.442 3.764 1.00 0.00 C ATOM 675 C ALA A 62 -3.787 7.925 2.737 1.00 0.00 C ATOM 676 O ALA A 62 -3.944 6.832 2.186 1.00 0.00 O ATOM 677 CB ALA A 62 -5.566 9.690 3.260 1.00 0.00 C ATOM 0 H ALA A 62 -4.268 9.718 5.328 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.535 7.627 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.011 9.480 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.351 9.956 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.865 10.519 3.167 1.00 0.00 H new ATOM 683 N THR A 63 -2.719 8.691 2.482 1.00 0.00 N ATOM 684 CA THR A 63 -1.641 8.313 1.544 1.00 0.00 C ATOM 685 C THR A 63 -0.905 7.037 1.983 1.00 0.00 C ATOM 686 O THR A 63 -0.682 6.131 1.175 1.00 0.00 O ATOM 687 CB THR A 63 -0.680 9.491 1.288 1.00 0.00 C ATOM 688 OG1 THR A 63 0.269 9.143 0.304 1.00 0.00 O ATOM 689 CG2 THR A 63 0.076 10.011 2.496 1.00 0.00 C ATOM 0 H THR A 63 -2.572 9.599 2.922 1.00 0.00 H new ATOM 0 HA THR A 63 -2.112 8.073 0.591 1.00 0.00 H new ATOM 0 HB THR A 63 -1.341 10.297 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.872 9.900 0.149 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.720 10.837 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.633 10.359 3.247 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.686 9.211 2.916 1.00 0.00 H new ATOM 697 N PHE A 64 -0.618 6.898 3.281 1.00 0.00 N ATOM 698 CA PHE A 64 -0.002 5.718 3.887 1.00 0.00 C ATOM 699 C PHE A 64 -0.883 4.470 3.716 1.00 0.00 C ATOM 700 O PHE A 64 -0.391 3.430 3.281 1.00 0.00 O ATOM 701 CB PHE A 64 0.305 6.023 5.362 1.00 0.00 C ATOM 702 CG PHE A 64 1.120 4.949 6.048 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.467 3.837 6.608 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.525 5.038 6.097 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.217 2.784 7.155 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.272 3.971 6.624 1.00 0.00 C ATOM 707 CZ PHE A 64 2.618 2.838 7.126 1.00 0.00 C ATOM 0 H PHE A 64 -0.816 7.632 3.961 1.00 0.00 H new ATOM 0 HA PHE A 64 0.934 5.490 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.842 6.969 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.634 6.153 5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.612 3.793 6.617 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.026 5.922 5.731 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.717 1.935 7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.351 4.024 6.642 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.196 2.002 7.492 1.00 0.00 H new ATOM 717 N ALA A 65 -2.191 4.573 3.993 1.00 0.00 N ATOM 718 CA ALA A 65 -3.169 3.502 3.777 1.00 0.00 C ATOM 719 C ALA A 65 -3.216 3.027 2.314 1.00 0.00 C ATOM 720 O ALA A 65 -3.200 1.822 2.057 1.00 0.00 O ATOM 721 CB ALA A 65 -4.552 3.963 4.238 1.00 0.00 C ATOM 0 H ALA A 65 -2.605 5.421 4.381 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.851 2.645 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.275 3.164 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.518 4.211 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.850 4.843 3.669 1.00 0.00 H new ATOM 727 N ARG A 66 -3.245 3.957 1.350 1.00 0.00 N ATOM 728 CA ARG A 66 -3.235 3.634 -0.087 1.00 0.00 C ATOM 729 C ARG A 66 -1.976 2.861 -0.493 1.00 0.00 C ATOM 730 O ARG A 66 -2.068 1.855 -1.196 1.00 0.00 O ATOM 731 CB ARG A 66 -3.397 4.927 -0.904 1.00 0.00 C ATOM 732 CG ARG A 66 -3.805 4.621 -2.355 1.00 0.00 C ATOM 733 CD ARG A 66 -3.851 5.889 -3.216 1.00 0.00 C ATOM 734 NE ARG A 66 -2.496 6.408 -3.491 1.00 0.00 N ATOM 735 CZ ARG A 66 -2.181 7.504 -4.155 1.00 0.00 C ATOM 736 NH1 ARG A 66 -3.089 8.299 -4.649 1.00 0.00 N ATOM 737 NH2 ARG A 66 -0.933 7.820 -4.338 1.00 0.00 N ATOM 0 H ARG A 66 -3.276 4.958 1.543 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.077 2.975 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.150 5.563 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.460 5.485 -0.897 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.099 3.913 -2.789 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.784 4.141 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.356 5.672 -4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.438 6.654 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.717 5.858 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.078 8.082 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.810 9.138 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.196 7.220 -3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.692 8.668 -4.852 1.00 0.00 H new ATOM 751 N GLU A 67 -0.807 3.304 -0.034 1.00 0.00 N ATOM 752 CA GLU A 67 0.474 2.657 -0.320 1.00 0.00 C ATOM 753 C GLU A 67 0.588 1.275 0.339 1.00 0.00 C ATOM 754 O GLU A 67 0.845 0.296 -0.364 1.00 0.00 O ATOM 755 CB GLU A 67 1.628 3.566 0.120 1.00 0.00 C ATOM 756 CG GLU A 67 1.918 4.738 -0.830 1.00 0.00 C ATOM 757 CD GLU A 67 2.200 4.292 -2.280 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.035 3.382 -2.499 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.576 4.853 -3.214 1.00 0.00 O ATOM 0 H GLU A 67 -0.721 4.133 0.554 1.00 0.00 H new ATOM 0 HA GLU A 67 0.531 2.498 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.402 3.965 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.531 2.963 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.067 5.419 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.776 5.297 -0.456 1.00 0.00 H new ATOM 766 N ARG A 68 0.363 1.159 1.659 1.00 0.00 N ATOM 767 CA ARG A 68 0.442 -0.129 2.381 1.00 0.00 C ATOM 768 C ARG A 68 -0.490 -1.177 1.761 1.00 0.00 C ATOM 769 O ARG A 68 -0.086 -2.320 1.563 1.00 0.00 O ATOM 770 CB ARG A 68 0.233 0.055 3.904 1.00 0.00 C ATOM 771 CG ARG A 68 -1.230 0.271 4.312 1.00 0.00 C ATOM 772 CD ARG A 68 -1.435 0.542 5.805 1.00 0.00 C ATOM 773 NE ARG A 68 -1.072 -0.621 6.640 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.768 -1.729 6.828 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.932 -1.926 6.277 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.295 -2.679 7.582 1.00 0.00 N ATOM 0 H ARG A 68 0.122 1.950 2.256 1.00 0.00 H new ATOM 0 HA ARG A 68 1.454 -0.518 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.618 -0.824 4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.823 0.907 4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.633 1.109 3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.807 -0.611 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.834 1.402 6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.478 0.804 5.985 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.179 -0.562 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.339 -1.210 5.675 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.437 -2.796 6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.385 -2.570 8.030 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.834 -3.533 7.725 1.00 0.00 H new ATOM 790 N ALA A 69 -1.708 -0.772 1.393 1.00 0.00 N ATOM 791 CA ALA A 69 -2.692 -1.636 0.745 1.00 0.00 C ATOM 792 C ALA A 69 -2.198 -2.162 -0.613 1.00 0.00 C ATOM 793 O ALA A 69 -2.316 -3.358 -0.879 1.00 0.00 O ATOM 794 CB ALA A 69 -4.015 -0.874 0.608 1.00 0.00 C ATOM 0 H ALA A 69 -2.041 0.181 1.540 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.847 -2.516 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.754 -1.513 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.374 -0.587 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.859 0.020 0.005 1.00 0.00 H new ATOM 800 N ALA A 70 -1.601 -1.305 -1.451 1.00 0.00 N ATOM 801 CA ALA A 70 -1.001 -1.716 -2.721 1.00 0.00 C ATOM 802 C ALA A 70 0.082 -2.797 -2.530 1.00 0.00 C ATOM 803 O ALA A 70 0.079 -3.794 -3.253 1.00 0.00 O ATOM 804 CB ALA A 70 -0.460 -0.484 -3.455 1.00 0.00 C ATOM 0 H ALA A 70 -1.522 -0.305 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.775 -2.176 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.013 -0.791 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.276 0.212 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.295 0.004 -2.839 1.00 0.00 H new ATOM 810 N VAL A 71 0.971 -2.646 -1.536 1.00 0.00 N ATOM 811 CA VAL A 71 1.988 -3.664 -1.196 1.00 0.00 C ATOM 812 C VAL A 71 1.339 -4.979 -0.743 1.00 0.00 C ATOM 813 O VAL A 71 1.686 -6.053 -1.236 1.00 0.00 O ATOM 814 CB VAL A 71 2.948 -3.192 -0.081 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.168 -4.119 -0.005 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.437 -1.748 -0.245 1.00 0.00 C ATOM 0 H VAL A 71 1.008 -1.817 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 71 2.557 -3.824 -2.112 1.00 0.00 H new ATOM 0 HB VAL A 71 2.366 -3.230 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.837 -3.776 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.840 -5.135 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.695 -4.105 -0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.106 -1.495 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.971 -1.650 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.582 -1.072 -0.239 1.00 0.00 H new ATOM 826 N GLU A 72 0.396 -4.896 0.199 1.00 0.00 N ATOM 827 CA GLU A 72 -0.317 -6.040 0.785 1.00 0.00 C ATOM 828 C GLU A 72 -1.099 -6.841 -0.276 1.00 0.00 C ATOM 829 O GLU A 72 -1.189 -8.066 -0.196 1.00 0.00 O ATOM 830 CB GLU A 72 -1.207 -5.524 1.931 1.00 0.00 C ATOM 831 CG GLU A 72 -1.445 -6.536 3.061 1.00 0.00 C ATOM 832 CD GLU A 72 -2.509 -7.613 2.765 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.566 -7.296 2.169 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.323 -8.770 3.215 1.00 0.00 O ATOM 0 H GLU A 72 0.096 -4.003 0.589 1.00 0.00 H new ATOM 0 HA GLU A 72 0.401 -6.751 1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.750 -4.629 2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.171 -5.226 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.501 -7.033 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.742 -5.992 3.958 1.00 0.00 H new ATOM 841 N GLU A 73 -1.615 -6.171 -1.310 1.00 0.00 N ATOM 842 CA GLU A 73 -2.290 -6.809 -2.445 1.00 0.00 C ATOM 843 C GLU A 73 -1.279 -7.460 -3.412 1.00 0.00 C ATOM 844 O GLU A 73 -1.536 -8.545 -3.940 1.00 0.00 O ATOM 845 CB GLU A 73 -3.147 -5.768 -3.187 1.00 0.00 C ATOM 846 CG GLU A 73 -4.339 -6.384 -3.936 1.00 0.00 C ATOM 847 CD GLU A 73 -5.467 -6.874 -3.000 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.878 -6.133 -2.073 1.00 0.00 O ATOM 849 OE2 GLU A 73 -5.996 -7.991 -3.223 1.00 0.00 O ATOM 0 H GLU A 73 -1.575 -5.154 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.932 -7.601 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.517 -5.035 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.519 -5.231 -3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.746 -5.645 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.987 -7.222 -4.537 1.00 0.00 H new ATOM 856 N LEU A 74 -0.115 -6.830 -3.629 1.00 0.00 N ATOM 857 CA LEU A 74 0.951 -7.317 -4.515 1.00 0.00 C ATOM 858 C LEU A 74 1.518 -8.653 -4.007 1.00 0.00 C ATOM 859 O LEU A 74 1.537 -9.628 -4.755 1.00 0.00 O ATOM 860 CB LEU A 74 2.042 -6.235 -4.676 1.00 0.00 C ATOM 861 CG LEU A 74 2.868 -6.307 -5.978 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.894 -5.171 -5.995 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.621 -7.621 -6.189 1.00 0.00 C ATOM 0 H LEU A 74 0.116 -5.944 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 74 0.535 -7.511 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.567 -5.255 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.725 -6.305 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 74 2.139 -6.225 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.478 -5.221 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.377 -4.213 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.559 -5.269 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.172 -7.578 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.319 -7.777 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.910 -8.446 -6.223 1.00 0.00 H new ATOM 875 N LEU A 75 1.931 -8.731 -2.733 1.00 0.00 N ATOM 876 CA LEU A 75 2.440 -9.976 -2.134 1.00 0.00 C ATOM 877 C LEU A 75 1.414 -11.125 -2.162 1.00 0.00 C ATOM 878 O LEU A 75 1.791 -12.289 -2.286 1.00 0.00 O ATOM 879 CB LEU A 75 3.016 -9.703 -0.733 1.00 0.00 C ATOM 880 CG LEU A 75 1.995 -9.386 0.375 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.533 -10.642 1.122 1.00 0.00 C ATOM 882 CD2 LEU A 75 2.604 -8.440 1.411 1.00 0.00 C ATOM 0 H LEU A 75 1.922 -7.938 -2.091 1.00 0.00 H new ATOM 0 HA LEU A 75 3.260 -10.332 -2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.595 -10.574 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.712 -8.867 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 75 1.141 -8.929 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.814 -10.363 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.064 -11.331 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.392 -11.126 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.868 -8.227 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.480 -8.908 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.899 -7.510 0.925 1.00 0.00 H new ATOM 894 N GLU A 76 0.115 -10.823 -2.070 1.00 0.00 N ATOM 895 CA GLU A 76 -0.961 -11.812 -2.191 1.00 0.00 C ATOM 896 C GLU A 76 -1.136 -12.321 -3.637 1.00 0.00 C ATOM 897 O GLU A 76 -1.552 -13.464 -3.840 1.00 0.00 O ATOM 898 CB GLU A 76 -2.288 -11.216 -1.696 1.00 0.00 C ATOM 899 CG GLU A 76 -2.503 -11.455 -0.191 1.00 0.00 C ATOM 900 CD GLU A 76 -3.950 -11.191 0.290 1.00 0.00 C ATOM 901 OE1 GLU A 76 -4.801 -10.678 -0.478 1.00 0.00 O ATOM 902 OE2 GLU A 76 -4.268 -11.558 1.449 1.00 0.00 O ATOM 0 H GLU A 76 -0.223 -9.874 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.678 -12.663 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.302 -10.145 -1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.114 -11.657 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.236 -12.485 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.823 -10.813 0.369 1.00 0.00 H new ATOM 909 N ARG A 77 -0.783 -11.500 -4.635 1.00 0.00 N ATOM 910 CA ARG A 77 -0.816 -11.794 -6.080 1.00 0.00 C ATOM 911 C ARG A 77 0.577 -12.088 -6.675 1.00 0.00 C ATOM 912 O ARG A 77 0.784 -11.985 -7.890 1.00 0.00 O ATOM 913 CB ARG A 77 -1.571 -10.654 -6.804 1.00 0.00 C ATOM 914 CG ARG A 77 -3.099 -10.759 -6.639 1.00 0.00 C ATOM 915 CD ARG A 77 -3.672 -11.858 -7.550 1.00 0.00 C ATOM 916 NE ARG A 77 -5.098 -12.126 -7.284 1.00 0.00 N ATOM 917 CZ ARG A 77 -5.806 -13.135 -7.766 1.00 0.00 C ATOM 918 NH1 ARG A 77 -5.296 -14.006 -8.593 1.00 0.00 N ATOM 919 NH2 ARG A 77 -7.052 -13.298 -7.423 1.00 0.00 N ATOM 0 H ARG A 77 -0.446 -10.556 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.362 -12.724 -6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.232 -9.694 -6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.321 -10.674 -7.865 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.343 -10.978 -5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.562 -9.802 -6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.549 -11.562 -8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.101 -12.776 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.584 -11.472 -6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.323 -13.921 -8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.870 -14.772 -8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.493 -12.644 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.587 -14.080 -7.801 1.00 0.00 H new ATOM 933 N ALA A 78 1.543 -12.450 -5.828 1.00 0.00 N ATOM 934 CA ALA A 78 2.896 -12.856 -6.207 1.00 0.00 C ATOM 935 C ALA A 78 2.922 -14.272 -6.826 1.00 0.00 C ATOM 936 O ALA A 78 3.164 -15.270 -6.143 1.00 0.00 O ATOM 937 CB ALA A 78 3.820 -12.725 -4.989 1.00 0.00 C ATOM 0 H ALA A 78 1.397 -12.469 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 78 3.263 -12.192 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.831 -13.026 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.830 -11.689 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.457 -13.366 -4.186 1.00 0.00 H new ATOM 943 N GLU A 79 2.672 -14.364 -8.135 1.00 0.00 N ATOM 944 CA GLU A 79 2.680 -15.628 -8.896 1.00 0.00 C ATOM 945 C GLU A 79 4.094 -16.227 -9.073 1.00 0.00 C ATOM 946 O GLU A 79 4.237 -17.438 -9.263 1.00 0.00 O ATOM 947 CB GLU A 79 2.053 -15.412 -10.287 1.00 0.00 C ATOM 948 CG GLU A 79 0.667 -14.747 -10.297 1.00 0.00 C ATOM 949 CD GLU A 79 -0.396 -15.561 -9.531 1.00 0.00 C ATOM 950 OE1 GLU A 79 -1.034 -16.451 -10.143 1.00 0.00 O ATOM 951 OE2 GLU A 79 -0.615 -15.305 -8.322 1.00 0.00 O ATOM 0 H GLU A 79 2.454 -13.551 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 79 2.095 -16.338 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.733 -14.801 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.976 -16.379 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.743 -13.753 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.341 -14.614 -11.329 1.00 0.00 H new ATOM 958 N SER A 80 5.131 -15.385 -8.989 1.00 0.00 N ATOM 959 CA SER A 80 6.560 -15.710 -9.133 1.00 0.00 C ATOM 960 C SER A 80 7.424 -14.867 -8.181 1.00 0.00 C ATOM 961 O SER A 80 6.991 -13.823 -7.687 1.00 0.00 O ATOM 962 CB SER A 80 7.014 -15.449 -10.583 1.00 0.00 C ATOM 963 OG SER A 80 6.497 -16.419 -11.482 1.00 0.00 O ATOM 0 H SER A 80 4.987 -14.392 -8.807 1.00 0.00 H new ATOM 0 HA SER A 80 6.688 -16.763 -8.882 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.687 -14.456 -10.893 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.103 -15.455 -10.629 1.00 0.00 H new ATOM 0 HG SER A 80 6.805 -16.220 -12.391 1.00 0.00 H new ATOM 969 N VAL A 81 8.678 -15.287 -7.970 1.00 0.00 N ATOM 970 CA VAL A 81 9.669 -14.612 -7.100 1.00 0.00 C ATOM 971 C VAL A 81 9.924 -13.155 -7.519 1.00 0.00 C ATOM 972 O VAL A 81 10.129 -12.281 -6.682 1.00 0.00 O ATOM 973 CB VAL A 81 11.015 -15.374 -7.081 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.862 -14.948 -5.876 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.829 -16.899 -7.034 1.00 0.00 C ATOM 0 H VAL A 81 9.049 -16.130 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 81 9.236 -14.611 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 81 11.522 -15.118 -8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.804 -15.496 -5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.064 -13.878 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.321 -15.166 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.805 -17.384 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.278 -17.171 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.272 -17.225 -7.913 1.00 0.00 H new ATOM 985 N GLU A 82 9.858 -12.870 -8.820 1.00 0.00 N ATOM 986 CA GLU A 82 10.028 -11.530 -9.400 1.00 0.00 C ATOM 987 C GLU A 82 9.020 -10.520 -8.818 1.00 0.00 C ATOM 988 O GLU A 82 9.408 -9.426 -8.400 1.00 0.00 O ATOM 989 CB GLU A 82 9.902 -11.634 -10.929 1.00 0.00 C ATOM 990 CG GLU A 82 11.032 -12.472 -11.554 1.00 0.00 C ATOM 991 CD GLU A 82 10.683 -12.920 -12.986 1.00 0.00 C ATOM 992 OE1 GLU A 82 9.825 -13.823 -13.147 1.00 0.00 O ATOM 993 OE2 GLU A 82 11.276 -12.393 -13.959 1.00 0.00 O ATOM 0 H GLU A 82 9.679 -13.586 -9.525 1.00 0.00 H new ATOM 0 HA GLU A 82 11.018 -11.154 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.940 -12.079 -11.182 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.914 -10.633 -11.361 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.952 -11.888 -11.569 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.221 -13.349 -10.934 1.00 0.00 H new ATOM 1000 N ARG A 83 7.733 -10.896 -8.732 1.00 0.00 N ATOM 1001 CA ARG A 83 6.676 -10.079 -8.101 1.00 0.00 C ATOM 1002 C ARG A 83 6.899 -9.910 -6.595 1.00 0.00 C ATOM 1003 O ARG A 83 6.601 -8.855 -6.040 1.00 0.00 O ATOM 1004 CB ARG A 83 5.286 -10.688 -8.359 1.00 0.00 C ATOM 1005 CG ARG A 83 4.802 -10.448 -9.797 1.00 0.00 C ATOM 1006 CD ARG A 83 3.301 -10.745 -9.929 1.00 0.00 C ATOM 1007 NE ARG A 83 2.744 -10.146 -11.155 1.00 0.00 N ATOM 1008 CZ ARG A 83 1.473 -10.107 -11.514 1.00 0.00 C ATOM 1009 NH1 ARG A 83 0.536 -10.691 -10.820 1.00 0.00 N ATOM 1010 NH2 ARG A 83 1.120 -9.463 -12.591 1.00 0.00 N ATOM 0 H ARG A 83 7.391 -11.783 -9.101 1.00 0.00 H new ATOM 0 HA ARG A 83 6.725 -9.091 -8.559 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.319 -11.760 -8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.568 -10.259 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.998 -9.415 -10.083 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.363 -11.081 -10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.141 -11.823 -9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.773 -10.356 -9.059 1.00 0.00 H new ATOM 0 HE ARG A 83 3.411 -9.715 -11.795 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.774 -11.200 -9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.435 -10.639 -11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.825 -8.990 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.139 -9.433 -12.869 1.00 0.00 H new ATOM 1024 N LEU A 84 7.451 -10.926 -5.935 1.00 0.00 N ATOM 1025 CA LEU A 84 7.768 -10.888 -4.508 1.00 0.00 C ATOM 1026 C LEU A 84 8.815 -9.813 -4.176 1.00 0.00 C ATOM 1027 O LEU A 84 8.615 -8.992 -3.283 1.00 0.00 O ATOM 1028 CB LEU A 84 8.251 -12.280 -4.075 1.00 0.00 C ATOM 1029 CG LEU A 84 8.135 -12.479 -2.562 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.684 -12.735 -2.157 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.006 -13.656 -2.145 1.00 0.00 C ATOM 0 H LEU A 84 7.694 -11.810 -6.381 1.00 0.00 H new ATOM 0 HA LEU A 84 6.868 -10.619 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.665 -13.043 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.288 -12.416 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 84 8.472 -11.573 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.627 -12.873 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.070 -11.883 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.319 -13.632 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.928 -13.803 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.671 -14.557 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.044 -13.452 -2.409 1.00 0.00 H new ATOM 1043 N GLU A 85 9.930 -9.799 -4.908 1.00 0.00 N ATOM 1044 CA GLU A 85 10.986 -8.792 -4.732 1.00 0.00 C ATOM 1045 C GLU A 85 10.518 -7.374 -5.111 1.00 0.00 C ATOM 1046 O GLU A 85 10.970 -6.398 -4.513 1.00 0.00 O ATOM 1047 CB GLU A 85 12.248 -9.173 -5.519 1.00 0.00 C ATOM 1048 CG GLU A 85 12.868 -10.491 -5.030 1.00 0.00 C ATOM 1049 CD GLU A 85 14.348 -10.596 -5.447 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.643 -11.097 -6.559 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.232 -10.177 -4.658 1.00 0.00 O ATOM 0 H GLU A 85 10.129 -10.482 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 85 11.228 -8.776 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 85 12.000 -9.262 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.984 -8.374 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.787 -10.554 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.311 -11.333 -5.440 1.00 0.00 H new ATOM 1058 N GLU A 86 9.577 -7.241 -6.055 1.00 0.00 N ATOM 1059 CA GLU A 86 8.967 -5.957 -6.435 1.00 0.00 C ATOM 1060 C GLU A 86 8.237 -5.300 -5.247 1.00 0.00 C ATOM 1061 O GLU A 86 8.429 -4.116 -4.968 1.00 0.00 O ATOM 1062 CB GLU A 86 8.015 -6.179 -7.624 1.00 0.00 C ATOM 1063 CG GLU A 86 7.547 -4.886 -8.304 1.00 0.00 C ATOM 1064 CD GLU A 86 8.694 -4.115 -8.992 1.00 0.00 C ATOM 1065 OE1 GLU A 86 9.437 -4.711 -9.809 1.00 0.00 O ATOM 1066 OE2 GLU A 86 8.844 -2.895 -8.741 1.00 0.00 O ATOM 0 H GLU A 86 9.212 -8.033 -6.585 1.00 0.00 H new ATOM 0 HA GLU A 86 9.757 -5.268 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.515 -6.805 -8.363 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.141 -6.731 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.784 -5.127 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.078 -4.241 -7.561 1.00 0.00 H new ATOM 1073 N ALA A 87 7.443 -6.069 -4.494 1.00 0.00 N ATOM 1074 CA ALA A 87 6.769 -5.608 -3.275 1.00 0.00 C ATOM 1075 C ALA A 87 7.743 -5.092 -2.192 1.00 0.00 C ATOM 1076 O ALA A 87 7.427 -4.129 -1.487 1.00 0.00 O ATOM 1077 CB ALA A 87 5.886 -6.750 -2.776 1.00 0.00 C ATOM 0 H ALA A 87 7.247 -7.045 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 87 6.157 -4.737 -3.510 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.369 -6.440 -1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.153 -7.005 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.505 -7.621 -2.562 1.00 0.00 H new ATOM 1083 N ALA A 88 8.949 -5.662 -2.087 1.00 0.00 N ATOM 1084 CA ALA A 88 9.990 -5.183 -1.167 1.00 0.00 C ATOM 1085 C ALA A 88 10.488 -3.758 -1.509 1.00 0.00 C ATOM 1086 O ALA A 88 11.000 -3.052 -0.639 1.00 0.00 O ATOM 1087 CB ALA A 88 11.141 -6.200 -1.114 1.00 0.00 C ATOM 0 H ALA A 88 9.232 -6.471 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 88 9.547 -5.101 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.912 -5.842 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.762 -7.160 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.567 -6.320 -2.110 1.00 0.00 H new ATOM 1093 N SER A 89 10.303 -3.305 -2.751 1.00 0.00 N ATOM 1094 CA SER A 89 10.624 -1.944 -3.208 1.00 0.00 C ATOM 1095 C SER A 89 9.483 -0.971 -2.893 1.00 0.00 C ATOM 1096 O SER A 89 9.729 0.174 -2.511 1.00 0.00 O ATOM 1097 CB SER A 89 10.881 -1.924 -4.720 1.00 0.00 C ATOM 1098 OG SER A 89 11.926 -2.819 -5.071 1.00 0.00 O ATOM 0 H SER A 89 9.914 -3.890 -3.491 1.00 0.00 H new ATOM 0 HA SER A 89 11.523 -1.631 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.969 -2.198 -5.251 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.142 -0.914 -5.035 1.00 0.00 H new ATOM 0 HG SER A 89 12.070 -2.790 -6.040 1.00 0.00 H new ATOM 1104 N ARG A 90 8.228 -1.434 -2.992 1.00 0.00 N ATOM 1105 CA ARG A 90 7.028 -0.660 -2.632 1.00 0.00 C ATOM 1106 C ARG A 90 7.051 -0.239 -1.158 1.00 0.00 C ATOM 1107 O ARG A 90 6.824 0.929 -0.847 1.00 0.00 O ATOM 1108 CB ARG A 90 5.747 -1.449 -2.956 1.00 0.00 C ATOM 1109 CG ARG A 90 5.599 -1.931 -4.410 1.00 0.00 C ATOM 1110 CD ARG A 90 5.644 -0.813 -5.458 1.00 0.00 C ATOM 1111 NE ARG A 90 4.549 0.163 -5.277 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.341 1.262 -5.977 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.106 1.600 -6.976 1.00 0.00 N ATOM 1114 NH2 ARG A 90 3.349 2.052 -5.683 1.00 0.00 N ATOM 0 H ARG A 90 8.014 -2.372 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 90 7.031 0.248 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.704 -2.319 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.888 -0.824 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.393 -2.646 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.654 -2.466 -4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.602 -0.297 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.580 -1.249 -6.455 1.00 0.00 H new ATOM 0 HE ARG A 90 3.882 -0.034 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.894 1.008 -7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.917 2.457 -7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.727 1.823 -4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.194 2.900 -6.228 1.00 0.00 H new ATOM 1128 N LEU A 91 7.379 -1.167 -0.252 1.00 0.00 N ATOM 1129 CA LEU A 91 7.470 -0.885 1.188 1.00 0.00 C ATOM 1130 C LEU A 91 8.648 0.043 1.547 1.00 0.00 C ATOM 1131 O LEU A 91 8.528 0.871 2.446 1.00 0.00 O ATOM 1132 CB LEU A 91 7.451 -2.215 1.968 1.00 0.00 C ATOM 1133 CG LEU A 91 8.801 -2.927 2.169 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.549 -2.447 3.420 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.554 -4.428 2.307 1.00 0.00 C ATOM 0 H LEU A 91 7.589 -2.135 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 91 6.595 -0.311 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.019 -2.025 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.780 -2.901 1.451 1.00 0.00 H new ATOM 0 HG LEU A 91 9.418 -2.695 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.493 -2.985 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.747 -1.378 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.939 -2.636 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.505 -4.942 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.909 -4.613 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.072 -4.802 1.404 1.00 0.00 H new ATOM 1147 N GLN A 92 9.769 -0.036 0.822 1.00 0.00 N ATOM 1148 CA GLN A 92 10.922 0.859 1.006 1.00 0.00 C ATOM 1149 C GLN A 92 10.585 2.338 0.739 1.00 0.00 C ATOM 1150 O GLN A 92 11.105 3.235 1.406 1.00 0.00 O ATOM 1151 CB GLN A 92 12.094 0.365 0.134 1.00 0.00 C ATOM 1152 CG GLN A 92 12.950 -0.702 0.842 1.00 0.00 C ATOM 1153 CD GLN A 92 13.826 -0.155 1.974 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.055 1.038 2.129 1.00 0.00 O ATOM 1155 NE2 GLN A 92 14.371 -1.011 2.814 1.00 0.00 N ATOM 0 H GLN A 92 9.905 -0.728 0.085 1.00 0.00 H new ATOM 0 HA GLN A 92 11.216 0.821 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.702 -0.047 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.725 1.212 -0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.291 -1.470 1.246 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.590 -1.187 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.197 -2.010 2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.967 -0.674 3.570 1.00 0.00 H new ATOM 1164 N GLY A 93 9.647 2.594 -0.176 1.00 0.00 N ATOM 1165 CA GLY A 93 9.125 3.934 -0.483 1.00 0.00 C ATOM 1166 C GLY A 93 8.173 4.482 0.586 1.00 0.00 C ATOM 1167 O GLY A 93 8.058 5.699 0.731 1.00 0.00 O ATOM 0 H GLY A 93 9.217 1.860 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.962 4.623 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.603 3.901 -1.440 1.00 0.00 H new ATOM 1171 N LEU A 94 7.519 3.619 1.374 1.00 0.00 N ATOM 1172 CA LEU A 94 6.673 4.054 2.491 1.00 0.00 C ATOM 1173 C LEU A 94 7.503 4.708 3.604 1.00 0.00 C ATOM 1174 O LEU A 94 7.057 5.685 4.195 1.00 0.00 O ATOM 1175 CB LEU A 94 5.852 2.877 3.057 1.00 0.00 C ATOM 1176 CG LEU A 94 4.410 2.790 2.544 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.742 1.559 3.153 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.602 4.028 2.946 1.00 0.00 C ATOM 0 H LEU A 94 7.561 2.607 1.256 1.00 0.00 H new ATOM 0 HA LEU A 94 5.982 4.801 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.365 1.946 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.831 2.957 4.144 1.00 0.00 H new ATOM 0 HG LEU A 94 4.436 2.726 1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.715 1.487 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.292 0.664 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.742 1.645 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.584 3.937 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.579 4.111 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.067 4.919 2.524 1.00 0.00 H new ATOM 1190 N GLN A 95 8.718 4.227 3.884 1.00 0.00 N ATOM 1191 CA GLN A 95 9.557 4.785 4.956 1.00 0.00 C ATOM 1192 C GLN A 95 9.943 6.249 4.670 1.00 0.00 C ATOM 1193 O GLN A 95 9.960 7.082 5.578 1.00 0.00 O ATOM 1194 CB GLN A 95 10.791 3.888 5.178 1.00 0.00 C ATOM 1195 CG GLN A 95 11.212 3.858 6.658 1.00 0.00 C ATOM 1196 CD GLN A 95 12.209 2.734 6.947 1.00 0.00 C ATOM 1197 OE1 GLN A 95 11.754 1.506 7.098 1.00 0.00 O flip ATOM 1198 NE2 GLN A 95 13.411 2.940 7.052 1.00 0.00 N flip ATOM 0 H GLN A 95 9.146 3.449 3.382 1.00 0.00 H new ATOM 0 HA GLN A 95 8.980 4.798 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.570 2.875 4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.620 4.252 4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.657 4.816 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.329 3.729 7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.778 3.885 6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.045 2.167 7.254 1.00 0.00 H new ATOM 1207 N LYS A 96 10.170 6.581 3.391 1.00 0.00 N ATOM 1208 CA LYS A 96 10.448 7.936 2.885 1.00 0.00 C ATOM 1209 C LYS A 96 9.294 8.927 3.098 1.00 0.00 C ATOM 1210 O LYS A 96 9.559 10.100 3.359 1.00 0.00 O ATOM 1211 CB LYS A 96 10.827 7.857 1.397 1.00 0.00 C ATOM 1212 CG LYS A 96 12.256 7.326 1.196 1.00 0.00 C ATOM 1213 CD LYS A 96 12.646 7.265 -0.291 1.00 0.00 C ATOM 1214 CE LYS A 96 12.804 8.646 -0.949 1.00 0.00 C ATOM 1215 NZ LYS A 96 14.091 9.303 -0.591 1.00 0.00 N ATOM 0 H LYS A 96 10.165 5.883 2.647 1.00 0.00 H new ATOM 0 HA LYS A 96 11.281 8.328 3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.122 7.208 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.741 8.846 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.959 7.967 1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.337 6.331 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.583 6.717 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.888 6.699 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.744 8.538 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.976 9.287 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.150 10.230 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.140 9.432 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.884 8.707 -0.903 1.00 0.00 H new ATOM 1229 N LEU A 97 8.035 8.478 3.039 1.00 0.00 N ATOM 1230 CA LEU A 97 6.855 9.297 3.327 1.00 0.00 C ATOM 1231 C LEU A 97 6.916 9.834 4.766 1.00 0.00 C ATOM 1232 O LEU A 97 6.787 11.039 4.980 1.00 0.00 O ATOM 1233 CB LEU A 97 5.597 8.451 3.047 1.00 0.00 C ATOM 1234 CG LEU A 97 4.286 8.984 3.624 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.918 10.390 3.158 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.163 8.000 3.293 1.00 0.00 C ATOM 0 H LEU A 97 7.805 7.517 2.785 1.00 0.00 H new ATOM 0 HA LEU A 97 6.821 10.175 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.482 8.354 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.763 7.449 3.441 1.00 0.00 H new ATOM 0 HG LEU A 97 4.427 9.069 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.975 10.690 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.702 11.088 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.814 10.398 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.222 8.371 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.075 7.899 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.390 7.028 3.731 1.00 0.00 H new ATOM 1248 N ILE A 98 7.160 8.957 5.749 1.00 0.00 N ATOM 1249 CA ILE A 98 7.327 9.392 7.142 1.00 0.00 C ATOM 1250 C ILE A 98 8.613 10.196 7.328 1.00 0.00 C ATOM 1251 O ILE A 98 8.577 11.220 7.998 1.00 0.00 O ATOM 1252 CB ILE A 98 7.250 8.235 8.160 1.00 0.00 C ATOM 1253 CG1 ILE A 98 5.942 7.438 7.978 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.319 8.818 9.576 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.178 6.156 7.183 1.00 0.00 C ATOM 0 H ILE A 98 7.246 7.950 5.607 1.00 0.00 H new ATOM 0 HA ILE A 98 6.478 10.043 7.351 1.00 0.00 H new ATOM 0 HB ILE A 98 8.086 7.554 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.526 7.191 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.206 8.056 7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.265 8.010 10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.257 9.359 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.483 9.501 9.729 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.237 5.618 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.571 6.406 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.895 5.528 7.711 1.00 0.00 H new ATOM 1267 N ASN A 99 9.731 9.787 6.717 1.00 0.00 N ATOM 1268 CA ASN A 99 11.016 10.489 6.829 1.00 0.00 C ATOM 1269 C ASN A 99 10.932 11.985 6.444 1.00 0.00 C ATOM 1270 O ASN A 99 11.683 12.799 6.982 1.00 0.00 O ATOM 1271 CB ASN A 99 12.063 9.740 5.990 1.00 0.00 C ATOM 1272 CG ASN A 99 13.480 10.194 6.292 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.055 11.030 5.610 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.097 9.640 7.311 1.00 0.00 N ATOM 0 H ASN A 99 9.770 8.955 6.128 1.00 0.00 H new ATOM 0 HA ASN A 99 11.314 10.487 7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.979 8.670 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.853 9.893 4.931 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.056 9.907 7.533 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.617 8.943 7.880 1.00 0.00 H new ATOM 1281 N ASP A 100 10.004 12.362 5.555 1.00 0.00 N ATOM 1282 CA ASP A 100 9.753 13.764 5.188 1.00 0.00 C ATOM 1283 C ASP A 100 9.106 14.558 6.344 1.00 0.00 C ATOM 1284 O ASP A 100 9.639 15.584 6.777 1.00 0.00 O ATOM 1285 CB ASP A 100 8.881 13.830 3.926 1.00 0.00 C ATOM 1286 CG ASP A 100 8.667 15.284 3.469 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.656 15.943 3.068 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.513 15.773 3.501 1.00 0.00 O ATOM 0 H ASP A 100 9.402 11.699 5.066 1.00 0.00 H new ATOM 0 HA ASP A 100 10.716 14.231 4.980 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.353 13.261 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.916 13.363 4.123 1.00 0.00 H new ATOM 1293 N SER A 101 7.970 14.077 6.862 1.00 0.00 N ATOM 1294 CA SER A 101 7.153 14.723 7.909 1.00 0.00 C ATOM 1295 C SER A 101 7.420 14.167 9.322 1.00 0.00 C ATOM 1296 O SER A 101 6.569 14.252 10.207 1.00 0.00 O ATOM 1297 CB SER A 101 5.653 14.637 7.563 1.00 0.00 C ATOM 1298 OG SER A 101 5.394 14.899 6.190 1.00 0.00 O ATOM 0 H SER A 101 7.574 13.189 6.553 1.00 0.00 H new ATOM 0 HA SER A 101 7.455 15.770 7.930 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.282 13.644 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.101 15.350 8.176 1.00 0.00 H new ATOM 0 HG SER A 101 4.431 14.831 6.020 1.00 0.00 H new ATOM 1304 N VAL A 102 8.591 13.575 9.568 1.00 0.00 N ATOM 1305 CA VAL A 102 8.935 12.874 10.820 1.00 0.00 C ATOM 1306 C VAL A 102 8.861 13.773 12.057 1.00 0.00 C ATOM 1307 O VAL A 102 8.310 13.377 13.081 1.00 0.00 O ATOM 1308 CB VAL A 102 10.312 12.190 10.701 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.455 13.166 10.397 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.647 11.409 11.973 1.00 0.00 C ATOM 0 H VAL A 102 9.351 13.566 8.887 1.00 0.00 H new ATOM 0 HA VAL A 102 8.176 12.106 10.966 1.00 0.00 H new ATOM 0 HB VAL A 102 10.227 11.510 9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.394 12.616 10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.259 13.672 9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.525 13.904 11.196 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.623 10.936 11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.667 12.090 12.824 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.890 10.643 12.140 1.00 0.00 H new ATOM 1320 N PHE A 103 9.364 15.005 11.950 1.00 0.00 N ATOM 1321 CA PHE A 103 9.309 16.022 13.007 1.00 0.00 C ATOM 1322 C PHE A 103 7.914 16.659 13.147 1.00 0.00 C ATOM 1323 O PHE A 103 7.670 17.427 14.081 1.00 0.00 O ATOM 1324 CB PHE A 103 10.367 17.098 12.716 1.00 0.00 C ATOM 1325 CG PHE A 103 11.750 16.557 12.388 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.393 15.662 13.267 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.380 16.917 11.181 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.653 15.130 12.941 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.642 16.388 10.856 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.278 15.494 11.734 1.00 0.00 C ATOM 0 H PHE A 103 9.833 15.333 11.106 1.00 0.00 H new ATOM 0 HA PHE A 103 9.518 15.533 13.958 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.024 17.709 11.882 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.445 17.755 13.582 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.916 15.384 14.195 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.892 17.602 10.503 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.141 14.443 13.616 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.123 16.669 9.931 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.246 15.086 11.483 1.00 0.00 H new ATOM 1340 N PHE A 104 6.999 16.342 12.224 1.00 0.00 N ATOM 1341 CA PHE A 104 5.612 16.825 12.216 1.00 0.00 C ATOM 1342 C PHE A 104 4.661 15.809 12.869 1.00 0.00 C ATOM 1343 O PHE A 104 3.831 16.188 13.700 1.00 0.00 O ATOM 1344 CB PHE A 104 5.203 17.182 10.776 1.00 0.00 C ATOM 1345 CG PHE A 104 3.712 17.215 10.524 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.972 18.389 10.762 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.060 16.049 10.081 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.580 18.392 10.567 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.670 16.049 9.892 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.933 17.220 10.139 1.00 0.00 C ATOM 0 H PHE A 104 7.208 15.725 11.439 1.00 0.00 H new ATOM 0 HA PHE A 104 5.540 17.730 12.820 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.620 18.158 10.527 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.655 16.460 10.096 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.473 19.286 11.094 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.631 15.153 9.886 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.010 19.292 10.745 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.168 15.153 9.558 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.138 17.219 9.999 1.00 0.00 H new ATOM 1360 N LEU A 105 4.790 14.523 12.527 1.00 0.00 N ATOM 1361 CA LEU A 105 4.012 13.443 13.136 1.00 0.00 C ATOM 1362 C LEU A 105 4.320 13.298 14.636 1.00 0.00 C ATOM 1363 O LEU A 105 5.481 13.327 15.054 1.00 0.00 O ATOM 1364 CB LEU A 105 4.293 12.117 12.406 1.00 0.00 C ATOM 1365 CG LEU A 105 3.754 12.066 10.965 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.041 10.697 10.364 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.245 12.307 10.904 1.00 0.00 C ATOM 0 H LEU A 105 5.444 14.201 11.813 1.00 0.00 H new ATOM 0 HA LEU A 105 2.956 13.695 13.038 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.369 11.947 12.386 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.852 11.300 12.977 1.00 0.00 H new ATOM 0 HG LEU A 105 4.254 12.857 10.405 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.659 10.660 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.117 10.522 10.356 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.552 9.928 10.962 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.911 12.262 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.731 11.542 11.485 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.017 13.290 11.316 1.00 0.00 H new ATOM 1379 N ALA A 106 3.272 13.131 15.447 1.00 0.00 N ATOM 1380 CA ALA A 106 3.397 12.873 16.883 1.00 0.00 C ATOM 1381 C ALA A 106 4.091 11.521 17.132 1.00 0.00 C ATOM 1382 O ALA A 106 4.067 10.644 16.265 1.00 0.00 O ATOM 1383 CB ALA A 106 1.991 12.891 17.498 1.00 0.00 C ATOM 0 H ALA A 106 2.306 13.171 15.123 1.00 0.00 H new ATOM 0 HA ALA A 106 4.012 13.643 17.350 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.060 12.701 18.569 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.533 13.866 17.331 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.380 12.119 17.031 1.00 0.00 H new ATOM 1389 N ALA A 107 4.630 11.298 18.338 1.00 0.00 N ATOM 1390 CA ALA A 107 5.254 10.017 18.703 1.00 0.00 C ATOM 1391 C ALA A 107 4.293 8.823 18.510 1.00 0.00 C ATOM 1392 O ALA A 107 4.725 7.735 18.137 1.00 0.00 O ATOM 1393 CB ALA A 107 5.788 10.099 20.139 1.00 0.00 C ATOM 0 H ALA A 107 4.647 11.994 19.084 1.00 0.00 H new ATOM 0 HA ALA A 107 6.091 9.836 18.028 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.250 9.150 20.410 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.528 10.896 20.207 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.965 10.309 20.822 1.00 0.00 H new ATOM 1399 N TYR A 108 2.989 9.044 18.703 1.00 0.00 N ATOM 1400 CA TYR A 108 1.922 8.070 18.467 1.00 0.00 C ATOM 1401 C TYR A 108 1.875 7.639 16.987 1.00 0.00 C ATOM 1402 O TYR A 108 2.023 6.459 16.672 1.00 0.00 O ATOM 1403 CB TYR A 108 0.591 8.688 18.929 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.639 7.901 18.515 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.936 6.675 19.139 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.459 8.379 17.473 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -2.039 5.914 18.705 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.560 7.621 17.037 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.848 6.378 17.645 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.893 5.620 17.211 1.00 0.00 O ATOM 0 H TYR A 108 2.636 9.940 19.040 1.00 0.00 H new ATOM 0 HA TYR A 108 2.114 7.163 19.041 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.603 8.777 20.015 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.514 9.698 18.527 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.319 6.318 19.950 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.241 9.329 17.009 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.266 4.973 19.184 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.186 7.989 16.237 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.349 6.082 16.477 1.00 0.00 H new ATOM 1420 N ASP A 109 1.690 8.595 16.073 1.00 0.00 N ATOM 1421 CA ASP A 109 1.508 8.347 14.636 1.00 0.00 C ATOM 1422 C ASP A 109 2.804 7.896 13.944 1.00 0.00 C ATOM 1423 O ASP A 109 2.797 6.994 13.105 1.00 0.00 O ATOM 1424 CB ASP A 109 0.979 9.626 13.971 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.128 9.374 12.928 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.179 8.281 12.319 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.968 10.285 12.734 1.00 0.00 O ATOM 0 H ASP A 109 1.662 9.586 16.314 1.00 0.00 H new ATOM 0 HA ASP A 109 0.792 7.532 14.527 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.593 10.292 14.742 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.808 10.143 13.489 1.00 0.00 H new ATOM 1432 N LEU A 110 3.936 8.492 14.334 1.00 0.00 N ATOM 1433 CA LEU A 110 5.272 8.124 13.868 1.00 0.00 C ATOM 1434 C LEU A 110 5.556 6.644 14.165 1.00 0.00 C ATOM 1435 O LEU A 110 5.912 5.883 13.260 1.00 0.00 O ATOM 1436 CB LEU A 110 6.300 9.064 14.532 1.00 0.00 C ATOM 1437 CG LEU A 110 7.777 8.712 14.273 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.093 8.653 12.783 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.682 9.763 14.910 1.00 0.00 C ATOM 0 H LEU A 110 3.945 9.264 15.000 1.00 0.00 H new ATOM 0 HA LEU A 110 5.344 8.242 12.787 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.119 10.080 14.181 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.127 9.063 15.608 1.00 0.00 H new ATOM 0 HG LEU A 110 7.954 7.730 14.711 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.145 8.402 12.644 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.472 7.892 12.309 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.888 9.623 12.329 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.725 9.507 14.723 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.465 10.740 14.478 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.504 9.794 15.985 1.00 0.00 H new ATOM 1451 N ARG A 111 5.363 6.222 15.426 1.00 0.00 N ATOM 1452 CA ARG A 111 5.560 4.824 15.846 1.00 0.00 C ATOM 1453 C ARG A 111 4.557 3.855 15.225 1.00 0.00 C ATOM 1454 O ARG A 111 4.900 2.698 14.996 1.00 0.00 O ATOM 1455 CB ARG A 111 5.592 4.706 17.381 1.00 0.00 C ATOM 1456 CG ARG A 111 6.831 5.385 17.994 1.00 0.00 C ATOM 1457 CD ARG A 111 6.800 5.299 19.528 1.00 0.00 C ATOM 1458 NE ARG A 111 7.949 5.989 20.152 1.00 0.00 N ATOM 1459 CZ ARG A 111 9.196 5.563 20.260 1.00 0.00 C ATOM 1460 NH1 ARG A 111 9.588 4.418 19.776 1.00 0.00 N ATOM 1461 NH2 ARG A 111 10.091 6.291 20.867 1.00 0.00 N ATOM 0 H ARG A 111 5.066 6.839 16.182 1.00 0.00 H new ATOM 0 HA ARG A 111 6.534 4.523 15.460 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.691 5.157 17.797 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.581 3.653 17.663 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.736 4.908 17.617 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.869 6.430 17.685 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.872 5.738 19.896 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.800 4.252 19.831 1.00 0.00 H new ATOM 0 HE ARG A 111 7.756 6.909 20.549 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.923 3.814 19.293 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.560 4.126 19.881 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.831 7.195 21.262 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.051 5.957 20.947 1.00 0.00 H new ATOM 1475 N GLN A 112 3.359 4.329 14.894 1.00 0.00 N ATOM 1476 CA GLN A 112 2.323 3.554 14.193 1.00 0.00 C ATOM 1477 C GLN A 112 2.730 3.276 12.734 1.00 0.00 C ATOM 1478 O GLN A 112 2.784 2.116 12.320 1.00 0.00 O ATOM 1479 CB GLN A 112 0.965 4.279 14.262 1.00 0.00 C ATOM 1480 CG GLN A 112 0.171 3.973 15.546 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.516 2.603 15.536 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.951 2.084 14.516 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.663 1.959 16.675 1.00 0.00 N ATOM 0 H GLN A 112 3.069 5.283 15.108 1.00 0.00 H new ATOM 0 HA GLN A 112 2.220 2.592 14.695 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.132 5.354 14.195 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.366 3.995 13.397 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.846 4.025 16.400 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.584 4.747 15.689 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.311 2.367 17.541 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.129 1.052 16.692 1.00 0.00 H new ATOM 1492 N GLY A 113 3.052 4.319 11.957 1.00 0.00 N ATOM 1493 CA GLY A 113 3.451 4.203 10.550 1.00 0.00 C ATOM 1494 C GLY A 113 4.717 3.366 10.349 1.00 0.00 C ATOM 1495 O GLY A 113 4.737 2.467 9.509 1.00 0.00 O ATOM 0 H GLY A 113 3.042 5.281 12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.634 3.756 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.614 5.200 10.142 1.00 0.00 H new ATOM 1499 N GLN A 114 5.767 3.607 11.140 1.00 0.00 N ATOM 1500 CA GLN A 114 6.995 2.803 11.080 1.00 0.00 C ATOM 1501 C GLN A 114 6.760 1.308 11.391 1.00 0.00 C ATOM 1502 O GLN A 114 7.315 0.448 10.705 1.00 0.00 O ATOM 1503 CB GLN A 114 8.058 3.393 12.018 1.00 0.00 C ATOM 1504 CG GLN A 114 8.807 4.581 11.388 1.00 0.00 C ATOM 1505 CD GLN A 114 9.930 5.119 12.278 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.344 4.531 13.271 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.495 6.259 11.948 1.00 0.00 N ATOM 0 H GLN A 114 5.792 4.355 11.833 1.00 0.00 H new ATOM 0 HA GLN A 114 7.352 2.847 10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.582 3.718 12.943 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.775 2.616 12.284 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.226 4.273 10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.098 5.383 11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.171 6.770 11.127 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.257 6.633 12.513 1.00 0.00 H new ATOM 1516 N GLU A 115 5.921 0.971 12.380 1.00 0.00 N ATOM 1517 CA GLU A 115 5.558 -0.425 12.698 1.00 0.00 C ATOM 1518 C GLU A 115 4.779 -1.131 11.584 1.00 0.00 C ATOM 1519 O GLU A 115 4.969 -2.323 11.330 1.00 0.00 O ATOM 1520 CB GLU A 115 4.765 -0.489 14.009 1.00 0.00 C ATOM 1521 CG GLU A 115 5.659 -0.680 15.244 1.00 0.00 C ATOM 1522 CD GLU A 115 5.808 -2.174 15.595 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.921 -2.729 16.289 1.00 0.00 O ATOM 1524 OE2 GLU A 115 6.814 -2.804 15.184 1.00 0.00 O ATOM 0 H GLU A 115 5.472 1.657 12.986 1.00 0.00 H new ATOM 0 HA GLU A 115 6.502 -0.960 12.804 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.188 0.429 14.123 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.050 -1.310 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.642 -0.248 15.056 1.00 0.00 H new ATOM 0 HG3 GLU A 115 5.232 -0.145 16.092 1.00 0.00 H new ATOM 1531 N ALA A 116 3.920 -0.389 10.896 1.00 0.00 N ATOM 1532 CA ALA A 116 3.108 -0.894 9.791 1.00 0.00 C ATOM 1533 C ALA A 116 3.956 -1.428 8.622 1.00 0.00 C ATOM 1534 O ALA A 116 3.603 -2.468 8.070 1.00 0.00 O ATOM 1535 CB ALA A 116 2.105 0.173 9.369 1.00 0.00 C ATOM 0 H ALA A 116 3.764 0.600 11.093 1.00 0.00 H new ATOM 0 HA ALA A 116 2.550 -1.763 10.139 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.499 -0.203 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.459 0.419 10.212 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.639 1.068 9.048 1.00 0.00 H new ATOM 1541 N LEU A 117 5.080 -0.788 8.260 1.00 0.00 N ATOM 1542 CA LEU A 117 5.985 -1.316 7.220 1.00 0.00 C ATOM 1543 C LEU A 117 6.449 -2.741 7.569 1.00 0.00 C ATOM 1544 O LEU A 117 6.421 -3.637 6.726 1.00 0.00 O ATOM 1545 CB LEU A 117 7.240 -0.443 7.059 1.00 0.00 C ATOM 1546 CG LEU A 117 7.088 0.745 6.103 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.300 1.887 6.733 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.472 1.270 5.760 1.00 0.00 C ATOM 0 H LEU A 117 5.385 0.095 8.670 1.00 0.00 H new ATOM 0 HA LEU A 117 5.417 -1.315 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.529 -0.065 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.058 -1.071 6.706 1.00 0.00 H new ATOM 0 HG LEU A 117 6.552 0.397 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.216 2.708 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.303 1.537 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.816 2.235 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.382 2.117 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.976 1.590 6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.052 0.481 5.282 1.00 0.00 H new ATOM 1560 N ALA A 118 6.848 -2.949 8.827 1.00 0.00 N ATOM 1561 CA ALA A 118 7.333 -4.234 9.340 1.00 0.00 C ATOM 1562 C ALA A 118 6.253 -5.327 9.253 1.00 0.00 C ATOM 1563 O ALA A 118 6.543 -6.491 8.964 1.00 0.00 O ATOM 1564 CB ALA A 118 7.785 -4.056 10.795 1.00 0.00 C ATOM 0 H ALA A 118 6.843 -2.213 9.533 1.00 0.00 H new ATOM 0 HA ALA A 118 8.172 -4.555 8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.147 -5.008 11.183 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.586 -3.318 10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.944 -3.715 11.398 1.00 0.00 H new ATOM 1570 N ARG A 119 4.990 -4.936 9.466 1.00 0.00 N ATOM 1571 CA ARG A 119 3.815 -5.806 9.362 1.00 0.00 C ATOM 1572 C ARG A 119 3.677 -6.407 7.955 1.00 0.00 C ATOM 1573 O ARG A 119 3.382 -7.593 7.816 1.00 0.00 O ATOM 1574 CB ARG A 119 2.573 -5.004 9.798 1.00 0.00 C ATOM 1575 CG ARG A 119 1.436 -5.881 10.339 1.00 0.00 C ATOM 1576 CD ARG A 119 0.386 -5.001 11.035 1.00 0.00 C ATOM 1577 NE ARG A 119 -0.643 -5.809 11.717 1.00 0.00 N ATOM 1578 CZ ARG A 119 -1.459 -5.414 12.681 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -1.475 -4.186 13.118 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -2.285 -6.255 13.233 1.00 0.00 N ATOM 0 H ARG A 119 4.752 -3.978 9.723 1.00 0.00 H new ATOM 0 HA ARG A 119 3.926 -6.662 10.028 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.865 -4.287 10.565 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.205 -4.429 8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.974 -6.438 9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.833 -6.614 11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.878 -4.353 11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.090 -4.353 10.299 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.736 -6.778 11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.844 -3.493 12.715 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.118 -3.918 13.863 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.307 -7.227 12.923 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.911 -5.942 13.975 1.00 0.00 H new ATOM 1594 N LEU A 120 3.951 -5.608 6.918 1.00 0.00 N ATOM 1595 CA LEU A 120 3.976 -6.037 5.511 1.00 0.00 C ATOM 1596 C LEU A 120 5.262 -6.805 5.144 1.00 0.00 C ATOM 1597 O LEU A 120 5.208 -7.776 4.388 1.00 0.00 O ATOM 1598 CB LEU A 120 3.803 -4.824 4.577 1.00 0.00 C ATOM 1599 CG LEU A 120 2.692 -3.817 4.936 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.590 -2.756 3.838 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.321 -4.467 5.151 1.00 0.00 C ATOM 0 H LEU A 120 4.168 -4.618 7.035 1.00 0.00 H new ATOM 0 HA LEU A 120 3.141 -6.725 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.750 -4.285 4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.611 -5.196 3.571 1.00 0.00 H new ATOM 0 HG LEU A 120 2.975 -3.366 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.805 -2.044 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.541 -2.231 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.352 -3.236 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.589 -3.699 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.014 -4.979 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.384 -5.187 5.967 1.00 0.00 H new ATOM 1613 N GLN A 121 6.415 -6.409 5.699 1.00 0.00 N ATOM 1614 CA GLN A 121 7.704 -7.103 5.533 1.00 0.00 C ATOM 1615 C GLN A 121 7.625 -8.584 5.939 1.00 0.00 C ATOM 1616 O GLN A 121 8.114 -9.455 5.218 1.00 0.00 O ATOM 1617 CB GLN A 121 8.802 -6.393 6.349 1.00 0.00 C ATOM 1618 CG GLN A 121 9.370 -5.167 5.632 1.00 0.00 C ATOM 1619 CD GLN A 121 10.545 -4.546 6.384 1.00 0.00 C ATOM 1620 OE1 GLN A 121 10.399 -3.928 7.429 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.755 -4.679 5.882 1.00 0.00 N ATOM 0 H GLN A 121 6.482 -5.580 6.289 1.00 0.00 H new ATOM 0 HA GLN A 121 7.954 -7.066 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.393 -6.089 7.313 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.609 -7.096 6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.693 -5.452 4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.583 -4.422 5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.892 -5.192 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.555 -4.269 6.364 1.00 0.00 H new ATOM 1630 N ALA A 122 6.979 -8.886 7.069 1.00 0.00 N ATOM 1631 CA ALA A 122 6.745 -10.260 7.513 1.00 0.00 C ATOM 1632 C ALA A 122 5.877 -11.063 6.524 1.00 0.00 C ATOM 1633 O ALA A 122 6.237 -12.185 6.165 1.00 0.00 O ATOM 1634 CB ALA A 122 6.126 -10.220 8.915 1.00 0.00 C ATOM 0 H ALA A 122 6.603 -8.181 7.703 1.00 0.00 H new ATOM 0 HA ALA A 122 7.699 -10.786 7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.945 -11.237 9.262 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.810 -9.719 9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.183 -9.675 8.881 1.00 0.00 H new ATOM 1640 N ALA A 123 4.773 -10.482 6.033 1.00 0.00 N ATOM 1641 CA ALA A 123 3.885 -11.112 5.051 1.00 0.00 C ATOM 1642 C ALA A 123 4.634 -11.566 3.776 1.00 0.00 C ATOM 1643 O ALA A 123 4.341 -12.631 3.226 1.00 0.00 O ATOM 1644 CB ALA A 123 2.727 -10.153 4.749 1.00 0.00 C ATOM 0 H ALA A 123 4.470 -9.549 6.312 1.00 0.00 H new ATOM 0 HA ALA A 123 3.481 -12.031 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.058 -10.609 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.177 -9.947 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.122 -9.221 4.346 1.00 0.00 H new ATOM 1650 N LEU A 124 5.635 -10.793 3.329 1.00 0.00 N ATOM 1651 CA LEU A 124 6.496 -11.157 2.198 1.00 0.00 C ATOM 1652 C LEU A 124 7.372 -12.373 2.509 1.00 0.00 C ATOM 1653 O LEU A 124 7.425 -13.312 1.710 1.00 0.00 O ATOM 1654 CB LEU A 124 7.408 -9.980 1.813 1.00 0.00 C ATOM 1655 CG LEU A 124 6.779 -8.979 0.842 1.00 0.00 C ATOM 1656 CD1 LEU A 124 7.741 -7.805 0.684 1.00 0.00 C ATOM 1657 CD2 LEU A 124 6.573 -9.611 -0.531 1.00 0.00 C ATOM 0 H LEU A 124 5.870 -9.892 3.746 1.00 0.00 H new ATOM 0 HA LEU A 124 5.834 -11.408 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.700 -9.452 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.320 -10.375 1.367 1.00 0.00 H new ATOM 0 HG LEU A 124 5.814 -8.660 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 124 7.315 -7.076 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.905 -7.336 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.692 -8.164 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.125 -8.880 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.535 -9.932 -0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.912 -10.473 -0.439 1.00 0.00 H new ATOM 1669 N ALA A 125 8.064 -12.364 3.653 1.00 0.00 N ATOM 1670 CA ALA A 125 8.930 -13.470 4.053 1.00 0.00 C ATOM 1671 C ALA A 125 8.144 -14.796 4.174 1.00 0.00 C ATOM 1672 O ALA A 125 8.638 -15.854 3.780 1.00 0.00 O ATOM 1673 CB ALA A 125 9.680 -13.104 5.347 1.00 0.00 C ATOM 0 H ALA A 125 8.038 -11.594 4.321 1.00 0.00 H new ATOM 0 HA ALA A 125 9.673 -13.636 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.324 -13.933 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.287 -12.215 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.960 -12.905 6.141 1.00 0.00 H new ATOM 1679 N GLU A 126 6.898 -14.741 4.662 1.00 0.00 N ATOM 1680 CA GLU A 126 5.996 -15.900 4.735 1.00 0.00 C ATOM 1681 C GLU A 126 5.615 -16.428 3.340 1.00 0.00 C ATOM 1682 O GLU A 126 5.649 -17.639 3.114 1.00 0.00 O ATOM 1683 CB GLU A 126 4.720 -15.561 5.522 1.00 0.00 C ATOM 1684 CG GLU A 126 4.988 -15.338 7.017 1.00 0.00 C ATOM 1685 CD GLU A 126 3.688 -15.314 7.848 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.683 -14.691 7.424 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.665 -15.917 8.950 1.00 0.00 O ATOM 0 H GLU A 126 6.482 -13.882 5.021 1.00 0.00 H new ATOM 0 HA GLU A 126 6.543 -16.684 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.266 -14.664 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.999 -16.370 5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.640 -16.129 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.520 -14.396 7.152 1.00 0.00 H new ATOM 1694 N ARG A 127 5.291 -15.546 2.381 1.00 0.00 N ATOM 1695 CA ARG A 127 5.004 -15.927 0.984 1.00 0.00 C ATOM 1696 C ARG A 127 6.225 -16.542 0.282 1.00 0.00 C ATOM 1697 O ARG A 127 6.069 -17.514 -0.459 1.00 0.00 O ATOM 1698 CB ARG A 127 4.442 -14.707 0.230 1.00 0.00 C ATOM 1699 CG ARG A 127 4.018 -14.984 -1.227 1.00 0.00 C ATOM 1700 CD ARG A 127 2.776 -15.877 -1.365 1.00 0.00 C ATOM 1701 NE ARG A 127 1.579 -15.227 -0.798 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.369 -15.739 -0.663 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.062 -16.924 -1.107 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.565 -15.059 -0.061 1.00 0.00 N ATOM 0 H ARG A 127 5.220 -14.543 2.551 1.00 0.00 H new ATOM 0 HA ARG A 127 4.249 -16.713 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.580 -14.325 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.195 -13.919 0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.824 -14.033 -1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.849 -15.454 -1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.604 -16.104 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.951 -16.826 -0.859 1.00 0.00 H new ATOM 0 HE ARG A 127 1.700 -14.268 -0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.767 -17.491 -1.578 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.884 -17.286 -0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.362 -14.130 0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.499 -15.456 0.042 1.00 0.00 H new ATOM 1718 N ARG A 128 7.444 -16.045 0.551 1.00 0.00 N ATOM 1719 CA ARG A 128 8.711 -16.577 -0.004 1.00 0.00 C ATOM 1720 C ARG A 128 8.888 -18.076 0.241 1.00 0.00 C ATOM 1721 O ARG A 128 9.369 -18.775 -0.645 1.00 0.00 O ATOM 1722 CB ARG A 128 9.926 -15.804 0.548 1.00 0.00 C ATOM 1723 CG ARG A 128 11.151 -15.993 -0.367 1.00 0.00 C ATOM 1724 CD ARG A 128 12.314 -15.088 0.046 1.00 0.00 C ATOM 1725 NE ARG A 128 13.433 -15.181 -0.915 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.441 -14.337 -1.050 1.00 0.00 C ATOM 1727 NH1 ARG A 128 14.570 -13.289 -0.284 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.347 -14.534 -1.963 1.00 0.00 N ATOM 0 H ARG A 128 7.585 -15.247 1.171 1.00 0.00 H new ATOM 0 HA ARG A 128 8.652 -16.432 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.684 -14.744 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.159 -16.153 1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.472 -17.034 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.871 -15.777 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.970 -14.056 0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.661 -15.369 1.040 1.00 0.00 H new ATOM 0 HE ARG A 128 13.427 -15.985 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.881 -13.102 0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.360 -12.657 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.282 -15.344 -2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.122 -13.879 -2.062 1.00 0.00 H new