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 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 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+ -169:sc=-0.00476 (180deg=-0.113) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.0041) 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 X(o=0,f=-0.058) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -4.111 18.010 8.795 1.00 0.00 N ATOM 575 CA ASN A 56 -2.825 17.714 8.160 1.00 0.00 C ATOM 576 C ASN A 56 -2.385 16.259 8.422 1.00 0.00 C ATOM 577 O ASN A 56 -1.975 15.561 7.494 1.00 0.00 O ATOM 578 CB ASN A 56 -1.777 18.736 8.643 1.00 0.00 C ATOM 579 CG ASN A 56 -1.961 20.115 8.026 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.267 20.499 7.096 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.885 20.914 8.513 1.00 0.00 N ATOM 0 HA ASN A 56 -2.928 17.806 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.833 18.820 9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.780 18.367 8.402 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.017 21.844 8.115 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.470 20.604 9.289 1.00 0.00 H new ATOM 588 N SER A 57 -2.495 15.768 9.665 1.00 0.00 N ATOM 589 CA SER A 57 -2.141 14.383 10.039 1.00 0.00 C ATOM 590 C SER A 57 -3.026 13.355 9.310 1.00 0.00 C ATOM 591 O SER A 57 -2.557 12.300 8.887 1.00 0.00 O ATOM 592 CB SER A 57 -2.255 14.214 11.559 1.00 0.00 C ATOM 593 OG SER A 57 -1.655 13.003 11.981 1.00 0.00 O ATOM 0 H SER A 57 -2.835 16.324 10.450 1.00 0.00 H new ATOM 0 HA SER A 57 -1.111 14.198 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.775 15.055 12.059 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.305 14.225 11.852 1.00 0.00 H new ATOM 0 HG SER A 57 -1.739 12.918 12.954 1.00 0.00 H new ATOM 599 N HIS A 58 -4.303 13.686 9.074 1.00 0.00 N ATOM 600 CA HIS A 58 -5.245 12.865 8.302 1.00 0.00 C ATOM 601 C HIS A 58 -4.745 12.593 6.873 1.00 0.00 C ATOM 602 O HIS A 58 -4.898 11.476 6.376 1.00 0.00 O ATOM 603 CB HIS A 58 -6.623 13.550 8.300 1.00 0.00 C ATOM 604 CG HIS A 58 -7.612 12.880 7.378 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.125 13.420 6.212 1.00 0.00 N ATOM 606 CD2 HIS A 58 -8.084 11.602 7.503 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.898 12.479 5.634 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.891 11.368 6.402 1.00 0.00 N ATOM 0 H HIS A 58 -4.718 14.550 9.422 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.329 11.889 8.780 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.023 13.552 9.314 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.505 14.592 8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.869 10.910 8.304 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.437 12.595 4.705 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.395 10.503 6.205 1.00 0.00 H new ATOM 617 N PHE A 59 -4.102 13.577 6.227 1.00 0.00 N ATOM 618 CA PHE A 59 -3.492 13.415 4.902 1.00 0.00 C ATOM 619 C PHE A 59 -2.468 12.276 4.896 1.00 0.00 C ATOM 620 O PHE A 59 -2.537 11.406 4.029 1.00 0.00 O ATOM 621 CB PHE A 59 -2.845 14.725 4.421 1.00 0.00 C ATOM 622 CG PHE A 59 -2.527 14.739 2.932 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.473 13.961 2.408 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.303 15.525 2.059 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.225 13.939 1.024 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.042 15.519 0.677 1.00 0.00 C ATOM 627 CZ PHE A 59 -2.011 14.718 0.157 1.00 0.00 C ATOM 0 H PHE A 59 -3.991 14.514 6.614 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.291 13.156 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.514 15.555 4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.925 14.893 4.982 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.853 13.379 3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.102 16.135 2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.431 13.324 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.635 16.131 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.823 14.701 -0.906 1.00 0.00 H new ATOM 637 N PHE A 60 -1.550 12.250 5.871 1.00 0.00 N ATOM 638 CA PHE A 60 -0.576 11.168 6.034 1.00 0.00 C ATOM 639 C PHE A 60 -1.261 9.805 6.115 1.00 0.00 C ATOM 640 O PHE A 60 -0.930 8.921 5.330 1.00 0.00 O ATOM 641 CB PHE A 60 0.284 11.386 7.284 1.00 0.00 C ATOM 642 CG PHE A 60 1.113 10.170 7.659 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.071 9.680 6.756 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.870 9.475 8.862 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.769 8.499 7.050 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.584 8.299 9.159 1.00 0.00 C ATOM 647 CZ PHE A 60 2.529 7.807 8.245 1.00 0.00 C ATOM 0 H PHE A 60 -1.463 12.985 6.573 1.00 0.00 H new ATOM 0 HA PHE A 60 0.066 11.181 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.949 12.233 7.117 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.363 11.649 8.121 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.270 10.211 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.133 9.847 9.558 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.498 8.120 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.405 7.777 10.087 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.070 6.898 8.462 1.00 0.00 H new ATOM 657 N VAL A 61 -2.235 9.639 7.018 1.00 0.00 N ATOM 658 CA VAL A 61 -2.981 8.377 7.156 1.00 0.00 C ATOM 659 C VAL A 61 -3.599 7.945 5.819 1.00 0.00 C ATOM 660 O VAL A 61 -3.524 6.770 5.473 1.00 0.00 O ATOM 661 CB VAL A 61 -4.039 8.452 8.276 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.765 7.110 8.441 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.392 8.810 9.625 1.00 0.00 C ATOM 0 H VAL A 61 -2.528 10.367 7.669 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.265 7.609 7.450 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.749 9.226 7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.505 7.192 9.237 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.264 6.849 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.043 6.334 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.161 8.856 10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.658 8.049 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.899 9.779 9.546 1.00 0.00 H new ATOM 673 N ALA A 62 -4.133 8.881 5.027 1.00 0.00 N ATOM 674 CA ALA A 62 -4.672 8.606 3.689 1.00 0.00 C ATOM 675 C ALA A 62 -3.598 8.150 2.674 1.00 0.00 C ATOM 676 O ALA A 62 -3.734 7.080 2.074 1.00 0.00 O ATOM 677 CB ALA A 62 -5.454 9.829 3.194 1.00 0.00 C ATOM 0 H ALA A 62 -4.204 9.861 5.299 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.351 7.757 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.855 9.627 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.274 10.039 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.789 10.692 3.148 1.00 0.00 H new ATOM 683 N THR A 63 -2.529 8.930 2.465 1.00 0.00 N ATOM 684 CA THR A 63 -1.443 8.570 1.527 1.00 0.00 C ATOM 685 C THR A 63 -0.722 7.275 1.940 1.00 0.00 C ATOM 686 O THR A 63 -0.467 6.406 1.101 1.00 0.00 O ATOM 687 CB THR A 63 -0.466 9.743 1.303 1.00 0.00 C ATOM 688 OG1 THR A 63 0.482 9.429 0.304 1.00 0.00 O ATOM 689 CG2 THR A 63 0.319 10.194 2.520 1.00 0.00 C ATOM 0 H THR A 63 -2.388 9.824 2.935 1.00 0.00 H new ATOM 0 HA THR A 63 -1.911 8.364 0.564 1.00 0.00 H new ATOM 0 HB THR A 63 -1.128 10.560 1.017 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.089 10.188 0.179 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.972 11.022 2.245 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.371 10.519 3.298 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.921 9.365 2.892 1.00 0.00 H new ATOM 697 N PHE A 64 -0.483 7.085 3.243 1.00 0.00 N ATOM 698 CA PHE A 64 0.097 5.875 3.822 1.00 0.00 C ATOM 699 C PHE A 64 -0.821 4.658 3.611 1.00 0.00 C ATOM 700 O PHE A 64 -0.348 3.609 3.175 1.00 0.00 O ATOM 701 CB PHE A 64 0.408 6.125 5.309 1.00 0.00 C ATOM 702 CG PHE A 64 1.225 5.025 5.951 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.573 3.873 6.428 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.629 5.120 6.036 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.323 2.790 6.912 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.374 4.025 6.501 1.00 0.00 C ATOM 707 CZ PHE A 64 2.722 2.856 6.910 1.00 0.00 C ATOM 0 H PHE A 64 -0.696 7.795 3.944 1.00 0.00 H new ATOM 0 HA PHE A 64 1.031 5.640 3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.945 7.068 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.530 6.235 5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.506 3.822 6.422 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.129 6.032 5.745 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.823 1.908 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.452 4.085 6.543 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.301 2.000 7.226 1.00 0.00 H new ATOM 717 N ALA A 65 -2.132 4.794 3.854 1.00 0.00 N ATOM 718 CA ALA A 65 -3.135 3.756 3.599 1.00 0.00 C ATOM 719 C ALA A 65 -3.144 3.278 2.138 1.00 0.00 C ATOM 720 O ALA A 65 -3.142 2.072 1.886 1.00 0.00 O ATOM 721 CB ALA A 65 -4.526 4.243 4.014 1.00 0.00 C ATOM 0 H ALA A 65 -2.531 5.649 4.242 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.858 2.895 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.259 3.460 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.526 4.482 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.785 5.134 3.442 1.00 0.00 H new ATOM 727 N ARG A 66 -3.135 4.199 1.166 1.00 0.00 N ATOM 728 CA ARG A 66 -3.132 3.847 -0.263 1.00 0.00 C ATOM 729 C ARG A 66 -1.876 3.067 -0.668 1.00 0.00 C ATOM 730 O ARG A 66 -1.975 2.079 -1.394 1.00 0.00 O ATOM 731 CB ARG A 66 -3.340 5.116 -1.103 1.00 0.00 C ATOM 732 CG ARG A 66 -3.787 4.774 -2.536 1.00 0.00 C ATOM 733 CD ARG A 66 -4.233 6.021 -3.311 1.00 0.00 C ATOM 734 NE ARG A 66 -5.478 6.595 -2.755 1.00 0.00 N ATOM 735 CZ ARG A 66 -5.942 7.822 -2.915 1.00 0.00 C ATOM 736 NH1 ARG A 66 -5.319 8.710 -3.638 1.00 0.00 N ATOM 737 NH2 ARG A 66 -7.054 8.185 -2.344 1.00 0.00 N ATOM 0 H ARG A 66 -3.130 5.203 1.344 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.963 3.169 -0.458 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.089 5.750 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.413 5.688 -1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.966 4.292 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.607 4.057 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.442 6.770 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.388 5.762 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.045 5.971 -2.181 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.444 8.467 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.707 9.648 -3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.573 7.521 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.407 9.134 -2.471 1.00 0.00 H new ATOM 751 N GLU A 67 -0.708 3.465 -0.165 1.00 0.00 N ATOM 752 CA GLU A 67 0.559 2.767 -0.398 1.00 0.00 C ATOM 753 C GLU A 67 0.621 1.395 0.295 1.00 0.00 C ATOM 754 O GLU A 67 0.853 0.394 -0.386 1.00 0.00 O ATOM 755 CB GLU A 67 1.729 3.652 0.047 1.00 0.00 C ATOM 756 CG GLU A 67 2.115 4.747 -0.959 1.00 0.00 C ATOM 757 CD GLU A 67 2.585 4.199 -2.326 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.304 3.172 -2.379 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.244 4.805 -3.370 1.00 0.00 O ATOM 0 H GLU A 67 -0.612 4.292 0.424 1.00 0.00 H new ATOM 0 HA GLU A 67 0.632 2.575 -1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.473 4.122 0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.598 3.020 0.229 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.258 5.402 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.909 5.358 -0.530 1.00 0.00 H new ATOM 766 N ARG A 68 0.384 1.311 1.617 1.00 0.00 N ATOM 767 CA ARG A 68 0.406 0.032 2.366 1.00 0.00 C ATOM 768 C ARG A 68 -0.534 -0.994 1.730 1.00 0.00 C ATOM 769 O ARG A 68 -0.145 -2.142 1.531 1.00 0.00 O ATOM 770 CB ARG A 68 0.137 0.236 3.880 1.00 0.00 C ATOM 771 CG ARG A 68 -1.333 0.494 4.235 1.00 0.00 C ATOM 772 CD ARG A 68 -1.601 0.852 5.698 1.00 0.00 C ATOM 773 NE ARG A 68 -1.494 -0.309 6.604 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.982 -0.389 7.831 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.552 0.626 8.419 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.916 -1.504 8.500 1.00 0.00 N ATOM 0 H ARG A 68 0.172 2.122 2.198 1.00 0.00 H new ATOM 0 HA ARG A 68 1.415 -0.375 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.478 -0.648 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.736 1.076 4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.704 1.303 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.911 -0.395 3.984 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.894 1.619 6.014 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.599 1.283 5.784 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.997 -1.126 6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.633 1.518 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.917 0.527 9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.485 -2.327 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.295 -1.555 9.445 1.00 0.00 H new ATOM 790 N ALA A 69 -1.739 -0.558 1.352 1.00 0.00 N ATOM 791 CA ALA A 69 -2.749 -1.384 0.699 1.00 0.00 C ATOM 792 C ALA A 69 -2.280 -1.899 -0.666 1.00 0.00 C ATOM 793 O ALA A 69 -2.458 -3.081 -0.956 1.00 0.00 O ATOM 794 CB ALA A 69 -4.051 -0.589 0.568 1.00 0.00 C ATOM 0 H ALA A 69 -2.043 0.405 1.497 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.923 -2.263 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.806 -1.205 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.402 -0.301 1.559 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.873 0.306 -0.028 1.00 0.00 H new ATOM 800 N ALA A 70 -1.652 -1.051 -1.490 1.00 0.00 N ATOM 801 CA ALA A 70 -1.096 -1.469 -2.776 1.00 0.00 C ATOM 802 C ALA A 70 -0.059 -2.591 -2.604 1.00 0.00 C ATOM 803 O ALA A 70 -0.172 -3.617 -3.272 1.00 0.00 O ATOM 804 CB ALA A 70 -0.513 -0.256 -3.514 1.00 0.00 C ATOM 0 H ALA A 70 -1.517 -0.061 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.900 -1.882 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.101 -0.576 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.300 0.478 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.276 0.192 -2.911 1.00 0.00 H new ATOM 810 N VAL A 71 0.911 -2.442 -1.690 1.00 0.00 N ATOM 811 CA VAL A 71 1.912 -3.490 -1.400 1.00 0.00 C ATOM 812 C VAL A 71 1.263 -4.777 -0.880 1.00 0.00 C ATOM 813 O VAL A 71 1.576 -5.866 -1.363 1.00 0.00 O ATOM 814 CB VAL A 71 2.993 -3.017 -0.408 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.105 -4.069 -0.323 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.617 -1.686 -0.843 1.00 0.00 C ATOM 0 H VAL A 71 1.027 -1.597 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 71 2.396 -3.703 -2.353 1.00 0.00 H new ATOM 0 HB VAL A 71 2.514 -2.878 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.869 -3.735 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.686 -5.015 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.552 -4.207 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.374 -1.385 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.079 -1.804 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.842 -0.921 -0.897 1.00 0.00 H new ATOM 826 N GLU A 72 0.349 -4.662 0.085 1.00 0.00 N ATOM 827 CA GLU A 72 -0.390 -5.792 0.663 1.00 0.00 C ATOM 828 C GLU A 72 -1.205 -6.552 -0.402 1.00 0.00 C ATOM 829 O GLU A 72 -1.256 -7.779 -0.387 1.00 0.00 O ATOM 830 CB GLU A 72 -1.258 -5.279 1.825 1.00 0.00 C ATOM 831 CG GLU A 72 -1.489 -6.298 2.949 1.00 0.00 C ATOM 832 CD GLU A 72 -2.576 -7.348 2.649 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.708 -6.964 2.266 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.326 -8.555 2.886 1.00 0.00 O ATOM 0 H GLU A 72 0.095 -3.764 0.497 1.00 0.00 H new ATOM 0 HA GLU A 72 0.316 -6.522 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.787 -4.392 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.225 -4.969 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.551 -6.814 3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.762 -5.761 3.858 1.00 0.00 H new ATOM 841 N GLU A 73 -1.794 -5.849 -1.375 1.00 0.00 N ATOM 842 CA GLU A 73 -2.504 -6.469 -2.498 1.00 0.00 C ATOM 843 C GLU A 73 -1.536 -7.106 -3.514 1.00 0.00 C ATOM 844 O GLU A 73 -1.804 -8.193 -4.031 1.00 0.00 O ATOM 845 CB GLU A 73 -3.416 -5.433 -3.181 1.00 0.00 C ATOM 846 CG GLU A 73 -4.595 -6.120 -3.881 1.00 0.00 C ATOM 847 CD GLU A 73 -5.563 -5.089 -4.489 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.318 -4.623 -5.629 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.590 -4.757 -3.848 1.00 0.00 O ATOM 0 H GLU A 73 -1.791 -4.829 -1.406 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.119 -7.276 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.789 -4.726 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.841 -4.859 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.221 -6.778 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.129 -6.747 -3.167 1.00 0.00 H new ATOM 856 N LEU A 74 -0.390 -6.463 -3.778 1.00 0.00 N ATOM 857 CA LEU A 74 0.648 -6.946 -4.695 1.00 0.00 C ATOM 858 C LEU A 74 1.219 -8.285 -4.205 1.00 0.00 C ATOM 859 O LEU A 74 1.224 -9.252 -4.962 1.00 0.00 O ATOM 860 CB LEU A 74 1.731 -5.856 -4.892 1.00 0.00 C ATOM 861 CG LEU A 74 2.432 -5.859 -6.266 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.250 -4.575 -6.430 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.385 -7.033 -6.487 1.00 0.00 C ATOM 0 H LEU A 74 -0.155 -5.569 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 74 0.212 -7.139 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.271 -4.880 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.488 -5.976 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 74 1.628 -5.942 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.744 -4.580 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.589 -3.711 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.001 -4.519 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.834 -6.956 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.170 -7.012 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.832 -7.969 -6.411 1.00 0.00 H new ATOM 875 N LEU A 75 1.642 -8.376 -2.935 1.00 0.00 N ATOM 876 CA LEU A 75 2.170 -9.619 -2.359 1.00 0.00 C ATOM 877 C LEU A 75 1.132 -10.755 -2.309 1.00 0.00 C ATOM 878 O LEU A 75 1.488 -11.917 -2.501 1.00 0.00 O ATOM 879 CB LEU A 75 2.834 -9.348 -0.992 1.00 0.00 C ATOM 880 CG LEU A 75 1.896 -9.221 0.225 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.660 -10.565 0.924 1.00 0.00 C ATOM 882 CD2 LEU A 75 2.470 -8.270 1.276 1.00 0.00 C ATOM 0 H LEU A 75 1.627 -7.593 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 75 2.945 -9.984 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.541 -10.153 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.413 -8.428 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 75 0.957 -8.839 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.993 -10.421 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.207 -11.266 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.612 -10.965 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.784 -8.204 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.433 -8.647 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.603 -7.281 0.838 1.00 0.00 H new ATOM 894 N GLU A 76 -0.150 -10.449 -2.079 1.00 0.00 N ATOM 895 CA GLU A 76 -1.234 -11.433 -2.115 1.00 0.00 C ATOM 896 C GLU A 76 -1.488 -11.981 -3.533 1.00 0.00 C ATOM 897 O GLU A 76 -1.759 -13.175 -3.687 1.00 0.00 O ATOM 898 CB GLU A 76 -2.520 -10.813 -1.550 1.00 0.00 C ATOM 899 CG GLU A 76 -2.609 -10.923 -0.020 1.00 0.00 C ATOM 900 CD GLU A 76 -4.039 -10.654 0.503 1.00 0.00 C ATOM 901 OE1 GLU A 76 -4.770 -9.798 -0.054 1.00 0.00 O ATOM 902 OE2 GLU A 76 -4.471 -11.352 1.457 1.00 0.00 O ATOM 0 H GLU A 76 -0.465 -9.504 -1.861 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.927 -12.277 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.569 -9.763 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.383 -11.307 -1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.292 -11.919 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.918 -10.213 0.434 1.00 0.00 H new ATOM 909 N ARG A 77 -1.385 -11.136 -4.569 1.00 0.00 N ATOM 910 CA ARG A 77 -1.522 -11.530 -5.985 1.00 0.00 C ATOM 911 C ARG A 77 -0.253 -12.155 -6.590 1.00 0.00 C ATOM 912 O ARG A 77 -0.356 -12.889 -7.573 1.00 0.00 O ATOM 913 CB ARG A 77 -1.986 -10.316 -6.810 1.00 0.00 C ATOM 914 CG ARG A 77 -3.457 -9.967 -6.523 1.00 0.00 C ATOM 915 CD ARG A 77 -3.926 -8.794 -7.394 1.00 0.00 C ATOM 916 NE ARG A 77 -5.378 -8.553 -7.259 1.00 0.00 N ATOM 917 CZ ARG A 77 -6.367 -9.216 -7.835 1.00 0.00 C ATOM 918 NH1 ARG A 77 -6.159 -10.229 -8.629 1.00 0.00 N ATOM 919 NH2 ARG A 77 -7.606 -8.870 -7.623 1.00 0.00 N ATOM 0 H ARG A 77 -1.201 -10.140 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.272 -12.320 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.356 -9.457 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.862 -10.528 -7.872 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.084 -10.838 -6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.575 -9.712 -5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.381 -7.893 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.688 -8.999 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.650 -7.783 -6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.206 -10.536 -8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.949 -10.714 -9.054 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.818 -8.083 -7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.363 -9.386 -8.071 1.00 0.00 H new ATOM 933 N ALA A 78 0.924 -11.896 -6.019 1.00 0.00 N ATOM 934 CA ALA A 78 2.225 -12.413 -6.451 1.00 0.00 C ATOM 935 C ALA A 78 2.293 -13.958 -6.454 1.00 0.00 C ATOM 936 O ALA A 78 2.295 -14.600 -5.402 1.00 0.00 O ATOM 937 CB ALA A 78 3.326 -11.800 -5.574 1.00 0.00 C ATOM 0 H ALA A 78 1.001 -11.290 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 78 2.377 -12.117 -7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.297 -12.181 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.311 -10.715 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.153 -12.069 -4.532 1.00 0.00 H new ATOM 943 N GLU A 79 2.364 -14.557 -7.647 1.00 0.00 N ATOM 944 CA GLU A 79 2.459 -16.012 -7.866 1.00 0.00 C ATOM 945 C GLU A 79 3.900 -16.525 -8.077 1.00 0.00 C ATOM 946 O GLU A 79 4.132 -17.737 -8.062 1.00 0.00 O ATOM 947 CB GLU A 79 1.564 -16.414 -9.053 1.00 0.00 C ATOM 948 CG GLU A 79 2.027 -15.834 -10.405 1.00 0.00 C ATOM 949 CD GLU A 79 1.181 -16.314 -11.604 1.00 0.00 C ATOM 950 OE1 GLU A 79 0.625 -17.440 -11.583 1.00 0.00 O ATOM 951 OE2 GLU A 79 1.087 -15.567 -12.609 1.00 0.00 O ATOM 0 H GLU A 79 2.357 -14.028 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 79 2.111 -16.488 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.538 -17.501 -9.124 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.544 -16.083 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.989 -14.746 -10.356 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.068 -16.110 -10.572 1.00 0.00 H new ATOM 958 N SER A 80 4.864 -15.613 -8.256 1.00 0.00 N ATOM 959 CA SER A 80 6.286 -15.885 -8.523 1.00 0.00 C ATOM 960 C SER A 80 7.193 -14.952 -7.712 1.00 0.00 C ATOM 961 O SER A 80 6.770 -13.878 -7.272 1.00 0.00 O ATOM 962 CB SER A 80 6.594 -15.714 -10.022 1.00 0.00 C ATOM 963 OG SER A 80 5.885 -16.658 -10.810 1.00 0.00 O ATOM 0 H SER A 80 4.665 -14.613 -8.217 1.00 0.00 H new ATOM 0 HA SER A 80 6.484 -16.914 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.329 -14.704 -10.336 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.665 -15.829 -10.190 1.00 0.00 H new ATOM 0 HG SER A 80 6.101 -16.522 -11.756 1.00 0.00 H new ATOM 969 N VAL A 81 8.469 -15.330 -7.562 1.00 0.00 N ATOM 970 CA VAL A 81 9.487 -14.562 -6.810 1.00 0.00 C ATOM 971 C VAL A 81 9.691 -13.146 -7.384 1.00 0.00 C ATOM 972 O VAL A 81 9.970 -12.213 -6.637 1.00 0.00 O ATOM 973 CB VAL A 81 10.827 -15.331 -6.738 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.875 -14.593 -5.895 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.653 -16.713 -6.090 1.00 0.00 C ATOM 0 H VAL A 81 8.836 -16.192 -7.964 1.00 0.00 H new ATOM 0 HA VAL A 81 9.108 -14.443 -5.795 1.00 0.00 H new ATOM 0 HB VAL A 81 11.159 -15.419 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.798 -15.172 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.070 -13.614 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.502 -14.468 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.616 -17.223 -6.057 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.270 -16.594 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.949 -17.304 -6.676 1.00 0.00 H new ATOM 985 N GLU A 82 9.483 -12.948 -8.690 1.00 0.00 N ATOM 986 CA GLU A 82 9.595 -11.644 -9.370 1.00 0.00 C ATOM 987 C GLU A 82 8.723 -10.551 -8.718 1.00 0.00 C ATOM 988 O GLU A 82 9.239 -9.522 -8.272 1.00 0.00 O ATOM 989 CB GLU A 82 9.235 -11.792 -10.862 1.00 0.00 C ATOM 990 CG GLU A 82 10.135 -12.758 -11.651 1.00 0.00 C ATOM 991 CD GLU A 82 11.624 -12.351 -11.669 1.00 0.00 C ATOM 992 OE1 GLU A 82 11.938 -11.148 -11.844 1.00 0.00 O ATOM 993 OE2 GLU A 82 12.496 -13.244 -11.536 1.00 0.00 O ATOM 0 H GLU A 82 9.226 -13.706 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 82 10.632 -11.322 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.203 -12.134 -10.940 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.281 -10.809 -11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.046 -13.755 -11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.773 -12.820 -12.677 1.00 0.00 H new ATOM 1000 N ARG A 83 7.400 -10.769 -8.635 1.00 0.00 N ATOM 1001 CA ARG A 83 6.452 -9.823 -8.010 1.00 0.00 C ATOM 1002 C ARG A 83 6.622 -9.735 -6.492 1.00 0.00 C ATOM 1003 O ARG A 83 6.447 -8.664 -5.911 1.00 0.00 O ATOM 1004 CB ARG A 83 5.000 -10.196 -8.348 1.00 0.00 C ATOM 1005 CG ARG A 83 4.711 -10.173 -9.857 1.00 0.00 C ATOM 1006 CD ARG A 83 3.213 -9.985 -10.143 1.00 0.00 C ATOM 1007 NE ARG A 83 2.798 -8.571 -10.005 1.00 0.00 N ATOM 1008 CZ ARG A 83 2.977 -7.598 -10.884 1.00 0.00 C ATOM 1009 NH1 ARG A 83 3.573 -7.797 -12.026 1.00 0.00 N ATOM 1010 NH2 ARG A 83 2.562 -6.389 -10.633 1.00 0.00 N ATOM 0 H ARG A 83 6.953 -11.610 -9.001 1.00 0.00 H new ATOM 0 HA ARG A 83 6.681 -8.842 -8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.786 -11.191 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.326 -9.504 -7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.275 -9.366 -10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.054 -11.104 -10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.990 -10.332 -11.152 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.632 -10.602 -9.458 1.00 0.00 H new ATOM 0 HE ARG A 83 2.322 -8.319 -9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.919 -8.726 -12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.694 -7.024 -12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.093 -6.184 -9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.706 -5.648 -11.319 1.00 0.00 H new ATOM 1024 N LEU A 84 6.996 -10.847 -5.859 1.00 0.00 N ATOM 1025 CA LEU A 84 7.309 -10.928 -4.432 1.00 0.00 C ATOM 1026 C LEU A 84 8.444 -9.952 -4.056 1.00 0.00 C ATOM 1027 O LEU A 84 8.293 -9.130 -3.154 1.00 0.00 O ATOM 1028 CB LEU A 84 7.663 -12.392 -4.118 1.00 0.00 C ATOM 1029 CG LEU A 84 7.797 -12.681 -2.619 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.428 -12.921 -1.985 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.694 -13.895 -2.368 1.00 0.00 C ATOM 0 H LEU A 84 7.092 -11.742 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 84 6.452 -10.627 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.895 -13.041 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.600 -12.645 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 84 8.254 -11.804 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.550 -13.124 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.806 -12.036 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.950 -13.775 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.770 -14.076 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.265 -14.771 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.687 -13.704 -2.775 1.00 0.00 H new ATOM 1043 N GLU A 85 9.573 -10.001 -4.767 1.00 0.00 N ATOM 1044 CA GLU A 85 10.687 -9.062 -4.572 1.00 0.00 C ATOM 1045 C GLU A 85 10.326 -7.613 -4.951 1.00 0.00 C ATOM 1046 O GLU A 85 10.794 -6.678 -4.301 1.00 0.00 O ATOM 1047 CB GLU A 85 11.930 -9.513 -5.356 1.00 0.00 C ATOM 1048 CG GLU A 85 12.568 -10.784 -4.775 1.00 0.00 C ATOM 1049 CD GLU A 85 13.976 -11.010 -5.363 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.097 -11.465 -6.526 1.00 0.00 O ATOM 1051 OE2 GLU A 85 14.977 -10.734 -4.657 1.00 0.00 O ATOM 0 H GLU A 85 9.744 -10.693 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 85 10.908 -9.072 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.654 -9.692 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.666 -8.709 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.631 -10.701 -3.690 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.936 -11.645 -4.992 1.00 0.00 H new ATOM 1058 N GLU A 86 9.469 -7.395 -5.958 1.00 0.00 N ATOM 1059 CA GLU A 86 8.995 -6.053 -6.334 1.00 0.00 C ATOM 1060 C GLU A 86 8.220 -5.371 -5.192 1.00 0.00 C ATOM 1061 O GLU A 86 8.494 -4.214 -4.864 1.00 0.00 O ATOM 1062 CB GLU A 86 8.158 -6.126 -7.622 1.00 0.00 C ATOM 1063 CG GLU A 86 7.819 -4.747 -8.210 1.00 0.00 C ATOM 1064 CD GLU A 86 9.071 -3.923 -8.583 1.00 0.00 C ATOM 1065 OE1 GLU A 86 9.947 -4.432 -9.325 1.00 0.00 O ATOM 1066 OE2 GLU A 86 9.177 -2.749 -8.154 1.00 0.00 O ATOM 0 H GLU A 86 9.084 -8.143 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 86 9.869 -5.431 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.702 -6.707 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.232 -6.662 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.201 -4.879 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.225 -4.187 -7.488 1.00 0.00 H new ATOM 1073 N ALA A 87 7.302 -6.082 -4.530 1.00 0.00 N ATOM 1074 CA ALA A 87 6.576 -5.581 -3.358 1.00 0.00 C ATOM 1075 C ALA A 87 7.524 -5.109 -2.229 1.00 0.00 C ATOM 1076 O ALA A 87 7.249 -4.109 -1.560 1.00 0.00 O ATOM 1077 CB ALA A 87 5.623 -6.685 -2.888 1.00 0.00 C ATOM 0 H ALA A 87 7.039 -7.031 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 87 6.007 -4.694 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.068 -6.340 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.925 -6.928 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.197 -7.573 -2.625 1.00 0.00 H new ATOM 1083 N ALA A 88 8.679 -5.764 -2.058 1.00 0.00 N ATOM 1084 CA ALA A 88 9.709 -5.362 -1.093 1.00 0.00 C ATOM 1085 C ALA A 88 10.399 -4.021 -1.435 1.00 0.00 C ATOM 1086 O ALA A 88 10.965 -3.368 -0.558 1.00 0.00 O ATOM 1087 CB ALA A 88 10.734 -6.497 -0.955 1.00 0.00 C ATOM 0 H ALA A 88 8.927 -6.597 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 88 9.211 -5.186 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.504 -6.207 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.233 -7.399 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.194 -6.692 -1.924 1.00 0.00 H new ATOM 1093 N SER A 89 10.335 -3.590 -2.697 1.00 0.00 N ATOM 1094 CA SER A 89 10.840 -2.295 -3.178 1.00 0.00 C ATOM 1095 C SER A 89 9.783 -1.201 -2.983 1.00 0.00 C ATOM 1096 O SER A 89 10.101 -0.088 -2.557 1.00 0.00 O ATOM 1097 CB SER A 89 11.231 -2.399 -4.659 1.00 0.00 C ATOM 1098 OG SER A 89 11.893 -1.222 -5.094 1.00 0.00 O ATOM 0 H SER A 89 9.917 -4.150 -3.440 1.00 0.00 H new ATOM 0 HA SER A 89 11.724 -2.028 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.880 -3.262 -4.808 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.339 -2.563 -5.264 1.00 0.00 H new ATOM 0 HG SER A 89 12.134 -1.312 -6.040 1.00 0.00 H new ATOM 1104 N ARG A 90 8.500 -1.532 -3.203 1.00 0.00 N ATOM 1105 CA ARG A 90 7.362 -0.631 -2.959 1.00 0.00 C ATOM 1106 C ARG A 90 7.294 -0.163 -1.500 1.00 0.00 C ATOM 1107 O ARG A 90 7.167 1.036 -1.253 1.00 0.00 O ATOM 1108 CB ARG A 90 6.039 -1.286 -3.392 1.00 0.00 C ATOM 1109 CG ARG A 90 5.941 -1.685 -4.877 1.00 0.00 C ATOM 1110 CD ARG A 90 6.244 -0.547 -5.859 1.00 0.00 C ATOM 1111 NE ARG A 90 5.346 0.610 -5.668 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.466 1.810 -6.206 1.00 0.00 C ATOM 1113 NH1 ARG A 90 6.426 2.102 -7.038 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.614 2.750 -5.913 1.00 0.00 N ATOM 0 H ARG A 90 8.220 -2.446 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 90 7.521 0.257 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.881 -2.177 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.224 -0.598 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.632 -2.506 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.937 -2.061 -5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.278 -0.227 -5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.147 -0.915 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 90 4.545 0.466 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.114 1.393 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.489 3.039 -7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.849 2.561 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.711 3.675 -6.331 1.00 0.00 H new ATOM 1128 N LEU A 91 7.440 -1.076 -0.529 1.00 0.00 N ATOM 1129 CA LEU A 91 7.428 -0.713 0.899 1.00 0.00 C ATOM 1130 C LEU A 91 8.632 0.152 1.317 1.00 0.00 C ATOM 1131 O LEU A 91 8.521 0.970 2.226 1.00 0.00 O ATOM 1132 CB LEU A 91 7.271 -1.981 1.759 1.00 0.00 C ATOM 1133 CG LEU A 91 8.558 -2.779 2.041 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.280 -2.314 3.312 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.214 -4.257 2.214 1.00 0.00 C ATOM 0 H LEU A 91 7.568 -2.073 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 91 6.563 -0.074 1.074 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.830 -1.694 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.559 -2.643 1.266 1.00 0.00 H new ATOM 0 HG LEU A 91 9.219 -2.615 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.179 -2.912 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.555 -1.264 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.619 -2.435 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.125 -4.822 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.524 -4.375 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.748 -4.631 1.303 1.00 0.00 H new ATOM 1147 N GLN A 92 9.774 0.023 0.638 1.00 0.00 N ATOM 1148 CA GLN A 92 10.976 0.831 0.888 1.00 0.00 C ATOM 1149 C GLN A 92 10.737 2.337 0.656 1.00 0.00 C ATOM 1150 O GLN A 92 11.367 3.178 1.300 1.00 0.00 O ATOM 1151 CB GLN A 92 12.138 0.279 0.032 1.00 0.00 C ATOM 1152 CG GLN A 92 13.285 -0.334 0.854 1.00 0.00 C ATOM 1153 CD GLN A 92 14.497 0.592 0.948 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.749 1.241 1.955 1.00 0.00 O ATOM 1155 NE2 GLN A 92 15.297 0.684 -0.095 1.00 0.00 N ATOM 0 H GLN A 92 9.894 -0.656 -0.114 1.00 0.00 H new ATOM 0 HA GLN A 92 11.242 0.747 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.747 -0.478 -0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.537 1.085 -0.584 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.927 -0.562 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.588 -1.278 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.097 0.148 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.116 1.291 -0.058 1.00 0.00 H new ATOM 1164 N GLY A 93 9.773 2.678 -0.205 1.00 0.00 N ATOM 1165 CA GLY A 93 9.331 4.050 -0.476 1.00 0.00 C ATOM 1166 C GLY A 93 8.362 4.605 0.577 1.00 0.00 C ATOM 1167 O GLY A 93 8.296 5.820 0.763 1.00 0.00 O ATOM 0 H GLY A 93 9.262 1.984 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.205 4.700 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.849 4.081 -1.453 1.00 0.00 H new ATOM 1171 N LEU A 94 7.642 3.745 1.314 1.00 0.00 N ATOM 1172 CA LEU A 94 6.771 4.170 2.416 1.00 0.00 C ATOM 1173 C LEU A 94 7.566 4.801 3.566 1.00 0.00 C ATOM 1174 O LEU A 94 7.083 5.742 4.184 1.00 0.00 O ATOM 1175 CB LEU A 94 5.924 2.993 2.945 1.00 0.00 C ATOM 1176 CG LEU A 94 4.478 2.934 2.439 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.803 1.701 3.042 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.687 4.178 2.855 1.00 0.00 C ATOM 0 H LEU A 94 7.649 2.737 1.161 1.00 0.00 H new ATOM 0 HA LEU A 94 6.103 4.930 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.422 2.061 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.907 3.042 4.034 1.00 0.00 H new ATOM 0 HG LEU A 94 4.494 2.885 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.772 1.643 2.692 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.341 0.805 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.814 1.776 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.666 4.103 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.669 4.251 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.162 5.067 2.439 1.00 0.00 H new ATOM 1190 N GLN A 95 8.788 4.339 3.848 1.00 0.00 N ATOM 1191 CA GLN A 95 9.601 4.880 4.948 1.00 0.00 C ATOM 1192 C GLN A 95 9.959 6.355 4.702 1.00 0.00 C ATOM 1193 O GLN A 95 9.996 7.158 5.634 1.00 0.00 O ATOM 1194 CB GLN A 95 10.870 4.029 5.153 1.00 0.00 C ATOM 1195 CG GLN A 95 11.297 4.012 6.630 1.00 0.00 C ATOM 1196 CD GLN A 95 12.570 3.197 6.854 1.00 0.00 C ATOM 1197 OE1 GLN A 95 13.660 3.729 7.024 1.00 0.00 O ATOM 1198 NE2 GLN A 95 12.493 1.881 6.867 1.00 0.00 N ATOM 0 H GLN A 95 9.240 3.587 3.328 1.00 0.00 H new ATOM 0 HA GLN A 95 9.008 4.833 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.686 3.010 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.680 4.427 4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.458 5.035 6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.491 3.597 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.593 1.421 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.333 1.322 7.017 1.00 0.00 H new ATOM 1207 N LYS A 96 10.159 6.719 3.428 1.00 0.00 N ATOM 1208 CA LYS A 96 10.475 8.071 2.948 1.00 0.00 C ATOM 1209 C LYS A 96 9.366 9.089 3.244 1.00 0.00 C ATOM 1210 O LYS A 96 9.661 10.231 3.591 1.00 0.00 O ATOM 1211 CB LYS A 96 10.765 7.994 1.437 1.00 0.00 C ATOM 1212 CG LYS A 96 11.646 9.137 0.910 1.00 0.00 C ATOM 1213 CD LYS A 96 13.115 8.978 1.342 1.00 0.00 C ATOM 1214 CE LYS A 96 14.057 9.986 0.669 1.00 0.00 C ATOM 1215 NZ LYS A 96 14.140 9.793 -0.805 1.00 0.00 N ATOM 0 H LYS A 96 10.102 6.044 2.666 1.00 0.00 H new ATOM 0 HA LYS A 96 11.352 8.430 3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.252 7.044 1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.819 7.999 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.589 9.167 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.262 10.089 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.183 9.093 2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.448 7.967 1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.712 10.998 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.053 9.892 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.920 10.366 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.313 8.789 -1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.245 10.089 -1.245 1.00 0.00 H new ATOM 1229 N LEU A 97 8.099 8.669 3.164 1.00 0.00 N ATOM 1230 CA LEU A 97 6.925 9.466 3.510 1.00 0.00 C ATOM 1231 C LEU A 97 6.993 9.926 4.977 1.00 0.00 C ATOM 1232 O LEU A 97 6.860 11.119 5.252 1.00 0.00 O ATOM 1233 CB LEU A 97 5.678 8.620 3.181 1.00 0.00 C ATOM 1234 CG LEU A 97 4.360 9.149 3.741 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.947 10.506 3.179 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.258 8.126 3.467 1.00 0.00 C ATOM 0 H LEU A 97 7.858 7.731 2.845 1.00 0.00 H new ATOM 0 HA LEU A 97 6.879 10.386 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.588 8.543 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.835 7.610 3.560 1.00 0.00 H new ATOM 0 HG LEU A 97 4.510 9.297 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.001 10.812 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.714 11.245 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.830 10.432 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.312 8.495 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.165 7.971 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.510 7.182 3.950 1.00 0.00 H new ATOM 1248 N ILE A 98 7.240 9.000 5.916 1.00 0.00 N ATOM 1249 CA ILE A 98 7.429 9.363 7.330 1.00 0.00 C ATOM 1250 C ILE A 98 8.721 10.153 7.531 1.00 0.00 C ATOM 1251 O ILE A 98 8.690 11.164 8.218 1.00 0.00 O ATOM 1252 CB ILE A 98 7.365 8.163 8.303 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.065 7.363 8.090 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.442 8.677 9.748 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.306 6.143 7.205 1.00 0.00 C ATOM 0 H ILE A 98 7.313 8.001 5.724 1.00 0.00 H new ATOM 0 HA ILE A 98 6.580 9.998 7.581 1.00 0.00 H new ATOM 0 HB ILE A 98 8.208 7.500 8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.669 7.044 9.054 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.311 8.004 7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.397 7.834 10.437 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.379 9.215 9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.605 9.348 9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.371 5.599 7.073 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.678 6.466 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.042 5.491 7.676 1.00 0.00 H new ATOM 1267 N ASN A 99 9.838 9.749 6.916 1.00 0.00 N ATOM 1268 CA ASN A 99 11.131 10.433 7.027 1.00 0.00 C ATOM 1269 C ASN A 99 11.047 11.942 6.702 1.00 0.00 C ATOM 1270 O ASN A 99 11.725 12.747 7.342 1.00 0.00 O ATOM 1271 CB ASN A 99 12.140 9.713 6.116 1.00 0.00 C ATOM 1272 CG ASN A 99 13.560 10.230 6.279 1.00 0.00 C ATOM 1273 OD1 ASN A 99 13.984 11.175 5.628 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.350 9.613 7.128 1.00 0.00 N ATOM 0 H ASN A 99 9.869 8.924 6.317 1.00 0.00 H new ATOM 0 HA ASN A 99 11.462 10.384 8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.121 8.645 6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.833 9.832 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.315 9.922 7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.998 8.825 7.672 1.00 0.00 H new ATOM 1281 N ASP A 100 10.191 12.333 5.751 1.00 0.00 N ATOM 1282 CA ASP A 100 9.957 13.740 5.396 1.00 0.00 C ATOM 1283 C ASP A 100 9.227 14.523 6.510 1.00 0.00 C ATOM 1284 O ASP A 100 9.703 15.571 6.955 1.00 0.00 O ATOM 1285 CB ASP A 100 9.185 13.809 4.067 1.00 0.00 C ATOM 1286 CG ASP A 100 9.138 15.232 3.475 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.159 15.959 3.533 1.00 0.00 O ATOM 1288 OD2 ASP A 100 8.089 15.615 2.906 1.00 0.00 O ATOM 0 H ASP A 100 9.636 11.677 5.201 1.00 0.00 H new ATOM 0 HA ASP A 100 10.927 14.223 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.650 13.136 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.167 13.452 4.225 1.00 0.00 H new ATOM 1293 N SER A 101 8.088 14.009 6.988 1.00 0.00 N ATOM 1294 CA SER A 101 7.211 14.639 7.997 1.00 0.00 C ATOM 1295 C SER A 101 7.416 14.083 9.421 1.00 0.00 C ATOM 1296 O SER A 101 6.520 14.142 10.263 1.00 0.00 O ATOM 1297 CB SER A 101 5.735 14.537 7.569 1.00 0.00 C ATOM 1298 OG SER A 101 5.547 14.897 6.207 1.00 0.00 O ATOM 0 H SER A 101 7.732 13.106 6.673 1.00 0.00 H new ATOM 0 HA SER A 101 7.497 15.690 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.382 13.518 7.726 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.129 15.185 8.202 1.00 0.00 H new ATOM 0 HG SER A 101 4.598 14.817 5.976 1.00 0.00 H new ATOM 1304 N VAL A 102 8.592 13.528 9.719 1.00 0.00 N ATOM 1305 CA VAL A 102 8.908 12.819 10.973 1.00 0.00 C ATOM 1306 C VAL A 102 8.736 13.707 12.211 1.00 0.00 C ATOM 1307 O VAL A 102 8.097 13.309 13.183 1.00 0.00 O ATOM 1308 CB VAL A 102 10.327 12.207 10.892 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.440 13.246 10.717 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.650 11.338 12.106 1.00 0.00 C ATOM 0 H VAL A 102 9.383 13.558 9.075 1.00 0.00 H new ATOM 0 HA VAL A 102 8.188 12.009 11.089 1.00 0.00 H new ATOM 0 HB VAL A 102 10.302 11.589 9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.405 12.741 10.668 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.275 13.804 9.795 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.432 13.933 11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.656 10.930 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.593 11.942 13.011 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.932 10.520 12.170 1.00 0.00 H new ATOM 1320 N PHE A 103 9.243 14.941 12.168 1.00 0.00 N ATOM 1321 CA PHE A 103 9.107 15.930 13.246 1.00 0.00 C ATOM 1322 C PHE A 103 7.702 16.558 13.313 1.00 0.00 C ATOM 1323 O PHE A 103 7.406 17.326 14.231 1.00 0.00 O ATOM 1324 CB PHE A 103 10.177 17.019 13.064 1.00 0.00 C ATOM 1325 CG PHE A 103 11.592 16.500 12.867 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.135 15.545 13.751 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.360 16.951 11.776 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.427 15.033 13.535 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.656 16.445 11.565 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.187 15.483 12.441 1.00 0.00 C ATOM 0 H PHE A 103 9.771 15.290 11.368 1.00 0.00 H new ATOM 0 HA PHE A 103 9.252 15.411 14.194 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.908 17.632 12.204 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.163 17.671 13.937 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.556 15.205 14.597 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.953 17.688 11.099 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.835 14.295 14.209 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.243 16.796 10.729 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.179 15.089 12.274 1.00 0.00 H new ATOM 1340 N PHE A 104 6.840 16.235 12.344 1.00 0.00 N ATOM 1341 CA PHE A 104 5.451 16.707 12.273 1.00 0.00 C ATOM 1342 C PHE A 104 4.486 15.680 12.886 1.00 0.00 C ATOM 1343 O PHE A 104 3.630 16.036 13.700 1.00 0.00 O ATOM 1344 CB PHE A 104 5.099 17.052 10.816 1.00 0.00 C ATOM 1345 CG PHE A 104 3.620 17.018 10.511 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.816 18.134 10.807 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.042 15.842 9.994 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.427 18.062 10.608 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.657 15.773 9.789 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.857 16.879 10.112 1.00 0.00 C ATOM 0 H PHE A 104 7.093 15.623 11.568 1.00 0.00 H new ATOM 0 HA PHE A 104 5.345 17.615 12.866 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.483 18.046 10.587 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.611 16.353 10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.264 19.041 11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.666 14.993 9.756 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.801 18.912 10.835 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.210 14.876 9.386 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.213 16.820 9.977 1.00 0.00 H new ATOM 1360 N LEU A 105 4.636 14.405 12.518 1.00 0.00 N ATOM 1361 CA LEU A 105 3.868 13.289 13.066 1.00 0.00 C ATOM 1362 C LEU A 105 4.088 13.125 14.580 1.00 0.00 C ATOM 1363 O LEU A 105 5.216 13.200 15.075 1.00 0.00 O ATOM 1364 CB LEU A 105 4.248 12.010 12.296 1.00 0.00 C ATOM 1365 CG LEU A 105 3.729 11.954 10.846 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.078 10.598 10.242 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.221 12.131 10.736 1.00 0.00 C ATOM 0 H LEU A 105 5.313 14.115 11.812 1.00 0.00 H new ATOM 0 HA LEU A 105 2.804 13.490 12.939 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.334 11.919 12.283 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.863 11.147 12.839 1.00 0.00 H new ATOM 0 HG LEU A 105 4.205 12.779 10.317 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.713 10.552 9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.160 10.464 10.249 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.611 9.807 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.924 12.081 9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.720 11.339 11.293 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.937 13.100 11.147 1.00 0.00 H new ATOM 1379 N ALA A 106 2.996 12.893 15.316 1.00 0.00 N ATOM 1380 CA ALA A 106 3.030 12.609 16.752 1.00 0.00 C ATOM 1381 C ALA A 106 3.806 11.312 17.046 1.00 0.00 C ATOM 1382 O ALA A 106 3.844 10.413 16.205 1.00 0.00 O ATOM 1383 CB ALA A 106 1.586 12.489 17.259 1.00 0.00 C ATOM 0 H ALA A 106 2.054 12.898 14.926 1.00 0.00 H new ATOM 0 HA ALA A 106 3.544 13.421 17.266 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.592 12.277 18.328 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.058 13.425 17.077 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.081 11.679 16.732 1.00 0.00 H new ATOM 1389 N ALA A 107 4.331 11.159 18.268 1.00 0.00 N ATOM 1390 CA ALA A 107 5.029 9.947 18.722 1.00 0.00 C ATOM 1391 C ALA A 107 4.230 8.645 18.475 1.00 0.00 C ATOM 1392 O ALA A 107 4.812 7.600 18.176 1.00 0.00 O ATOM 1393 CB ALA A 107 5.376 10.127 20.207 1.00 0.00 C ATOM 0 H ALA A 107 4.282 11.886 18.982 1.00 0.00 H new ATOM 0 HA ALA A 107 5.937 9.828 18.130 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.896 9.240 20.569 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.019 10.999 20.327 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.460 10.270 20.780 1.00 0.00 H new ATOM 1399 N TYR A 108 2.896 8.725 18.555 1.00 0.00 N ATOM 1400 CA TYR A 108 1.959 7.642 18.256 1.00 0.00 C ATOM 1401 C TYR A 108 1.970 7.308 16.759 1.00 0.00 C ATOM 1402 O TYR A 108 2.325 6.200 16.360 1.00 0.00 O ATOM 1403 CB TYR A 108 0.558 8.062 18.726 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.575 7.182 18.227 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.762 5.894 18.764 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.438 7.654 17.217 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.821 5.085 18.304 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.496 6.849 16.754 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.696 5.563 17.303 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.724 4.781 16.874 1.00 0.00 O ATOM 0 H TYR A 108 2.424 9.582 18.842 1.00 0.00 H new ATOM 0 HA TYR A 108 2.259 6.738 18.785 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.542 8.066 19.816 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.373 9.086 18.401 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.094 5.526 19.529 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.287 8.637 16.797 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.964 4.098 18.718 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.154 7.214 15.980 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.232 5.257 16.184 1.00 0.00 H new ATOM 1420 N ASP A 109 1.603 8.281 15.924 1.00 0.00 N ATOM 1421 CA ASP A 109 1.471 8.150 14.470 1.00 0.00 C ATOM 1422 C ASP A 109 2.789 7.752 13.781 1.00 0.00 C ATOM 1423 O ASP A 109 2.790 7.023 12.788 1.00 0.00 O ATOM 1424 CB ASP A 109 0.917 9.461 13.906 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.408 9.230 13.162 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.388 8.623 12.067 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.472 9.623 13.696 1.00 0.00 O ATOM 0 H ASP A 109 1.380 9.220 16.254 1.00 0.00 H new ATOM 0 HA ASP A 109 0.778 7.335 14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.762 10.172 14.717 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.646 9.905 13.227 1.00 0.00 H new ATOM 1432 N LEU A 110 3.920 8.184 14.350 1.00 0.00 N ATOM 1433 CA LEU A 110 5.269 7.831 13.914 1.00 0.00 C ATOM 1434 C LEU A 110 5.452 6.306 13.988 1.00 0.00 C ATOM 1435 O LEU A 110 5.705 5.633 12.984 1.00 0.00 O ATOM 1436 CB LEU A 110 6.290 8.539 14.833 1.00 0.00 C ATOM 1437 CG LEU A 110 7.644 8.864 14.196 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.309 7.713 13.441 1.00 0.00 C ATOM 1439 CD2 LEU A 110 7.511 10.080 13.283 1.00 0.00 C ATOM 0 H LEU A 110 3.917 8.811 15.155 1.00 0.00 H new ATOM 0 HA LEU A 110 5.426 8.151 12.884 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.846 9.468 15.191 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.462 7.910 15.707 1.00 0.00 H new ATOM 0 HG LEU A 110 8.309 9.073 15.034 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.261 8.049 13.030 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.483 6.882 14.124 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.658 7.386 12.630 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.478 10.305 12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.786 9.867 12.497 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.173 10.937 13.866 1.00 0.00 H new ATOM 1451 N ARG A 111 5.294 5.759 15.205 1.00 0.00 N ATOM 1452 CA ARG A 111 5.397 4.323 15.501 1.00 0.00 C ATOM 1453 C ARG A 111 4.329 3.492 14.800 1.00 0.00 C ATOM 1454 O ARG A 111 4.618 2.376 14.381 1.00 0.00 O ATOM 1455 CB ARG A 111 5.421 4.089 17.027 1.00 0.00 C ATOM 1456 CG ARG A 111 6.781 4.413 17.676 1.00 0.00 C ATOM 1457 CD ARG A 111 7.838 3.339 17.367 1.00 0.00 C ATOM 1458 NE ARG A 111 9.125 3.610 18.041 1.00 0.00 N ATOM 1459 CZ ARG A 111 10.249 2.925 17.908 1.00 0.00 C ATOM 1460 NH1 ARG A 111 10.340 1.890 17.120 1.00 0.00 N ATOM 1461 NH2 ARG A 111 11.319 3.265 18.569 1.00 0.00 N ATOM 0 H ARG A 111 5.086 6.320 16.031 1.00 0.00 H new ATOM 0 HA ARG A 111 6.344 3.972 15.091 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.649 4.702 17.493 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.168 3.049 17.231 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.132 5.381 17.318 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.656 4.499 18.755 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.465 2.364 17.680 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.998 3.289 16.290 1.00 0.00 H new ATOM 0 HE ARG A 111 9.149 4.409 18.675 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.529 1.586 16.582 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.223 1.385 17.041 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.296 4.068 19.198 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.179 2.728 18.458 1.00 0.00 H new ATOM 1475 N GLN A 112 3.145 4.058 14.598 1.00 0.00 N ATOM 1476 CA GLN A 112 2.042 3.439 13.847 1.00 0.00 C ATOM 1477 C GLN A 112 2.446 3.175 12.385 1.00 0.00 C ATOM 1478 O GLN A 112 2.321 2.047 11.904 1.00 0.00 O ATOM 1479 CB GLN A 112 0.798 4.339 13.899 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.003 4.243 15.209 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.127 3.208 15.132 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -2.011 3.267 14.286 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.154 2.220 16.001 1.00 0.00 N ATOM 0 H GLN A 112 2.912 4.984 14.958 1.00 0.00 H new ATOM 0 HA GLN A 112 1.810 2.481 14.312 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.107 5.374 13.752 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.143 4.080 13.067 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.671 3.983 16.025 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.427 5.219 15.444 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.429 2.149 16.715 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.900 1.525 15.960 1.00 0.00 H new ATOM 1492 N GLY A 113 2.962 4.195 11.686 1.00 0.00 N ATOM 1493 CA GLY A 113 3.441 4.071 10.305 1.00 0.00 C ATOM 1494 C GLY A 113 4.641 3.131 10.171 1.00 0.00 C ATOM 1495 O GLY A 113 4.628 2.217 9.348 1.00 0.00 O ATOM 0 H GLY A 113 3.059 5.136 12.067 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.629 3.707 9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.716 5.057 9.931 1.00 0.00 H new ATOM 1499 N GLN A 114 5.678 3.312 10.995 1.00 0.00 N ATOM 1500 CA GLN A 114 6.861 2.439 10.965 1.00 0.00 C ATOM 1501 C GLN A 114 6.537 0.955 11.251 1.00 0.00 C ATOM 1502 O GLN A 114 7.116 0.076 10.609 1.00 0.00 O ATOM 1503 CB GLN A 114 7.939 2.963 11.926 1.00 0.00 C ATOM 1504 CG GLN A 114 8.775 4.106 11.319 1.00 0.00 C ATOM 1505 CD GLN A 114 10.065 4.393 12.096 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.602 3.574 12.832 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.643 5.565 11.943 1.00 0.00 N ATOM 0 H GLN A 114 5.724 4.055 11.692 1.00 0.00 H new ATOM 0 HA GLN A 114 7.244 2.470 9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.463 3.314 12.842 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.601 2.143 12.204 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.028 3.854 10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.170 5.012 11.286 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.219 6.267 11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.515 5.771 12.431 1.00 0.00 H new ATOM 1516 N GLU A 115 5.597 0.652 12.155 1.00 0.00 N ATOM 1517 CA GLU A 115 5.138 -0.726 12.425 1.00 0.00 C ATOM 1518 C GLU A 115 4.544 -1.425 11.198 1.00 0.00 C ATOM 1519 O GLU A 115 4.782 -2.611 10.967 1.00 0.00 O ATOM 1520 CB GLU A 115 4.130 -0.748 13.583 1.00 0.00 C ATOM 1521 CG GLU A 115 4.793 -0.874 14.962 1.00 0.00 C ATOM 1522 CD GLU A 115 4.913 -2.346 15.408 1.00 0.00 C ATOM 1523 OE1 GLU A 115 5.575 -3.150 14.709 1.00 0.00 O ATOM 1524 OE2 GLU A 115 4.350 -2.709 16.470 1.00 0.00 O ATOM 0 H GLU A 115 5.128 1.356 12.725 1.00 0.00 H new ATOM 0 HA GLU A 115 6.030 -1.288 12.704 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.535 0.165 13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.442 -1.581 13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 115 5.784 -0.422 14.931 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.211 -0.318 15.697 1.00 0.00 H new ATOM 1531 N ALA A 116 3.798 -0.678 10.391 1.00 0.00 N ATOM 1532 CA ALA A 116 3.163 -1.172 9.173 1.00 0.00 C ATOM 1533 C ALA A 116 4.184 -1.686 8.141 1.00 0.00 C ATOM 1534 O ALA A 116 4.037 -2.811 7.673 1.00 0.00 O ATOM 1535 CB ALA A 116 2.224 -0.109 8.601 1.00 0.00 C ATOM 0 H ALA A 116 3.614 0.309 10.569 1.00 0.00 H new ATOM 0 HA ALA A 116 2.561 -2.042 9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.756 -0.488 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.454 0.129 9.335 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.793 0.791 8.368 1.00 0.00 H new ATOM 1541 N LEU A 117 5.246 -0.934 7.818 1.00 0.00 N ATOM 1542 CA LEU A 117 6.300 -1.421 6.904 1.00 0.00 C ATOM 1543 C LEU A 117 6.864 -2.786 7.325 1.00 0.00 C ATOM 1544 O LEU A 117 7.007 -3.686 6.497 1.00 0.00 O ATOM 1545 CB LEU A 117 7.472 -0.433 6.818 1.00 0.00 C ATOM 1546 CG LEU A 117 7.239 0.761 5.888 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.363 1.829 6.538 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.587 1.382 5.558 1.00 0.00 C ATOM 0 H LEU A 117 5.401 0.010 8.172 1.00 0.00 H new ATOM 0 HA LEU A 117 5.815 -1.519 5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.688 -0.059 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.358 -0.971 6.481 1.00 0.00 H new ATOM 0 HG LEU A 117 6.730 0.401 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.224 2.657 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.393 1.400 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.846 2.193 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.442 2.235 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.069 1.714 6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.217 0.642 5.064 1.00 0.00 H new ATOM 1560 N ALA A 118 7.184 -2.939 8.611 1.00 0.00 N ATOM 1561 CA ALA A 118 7.725 -4.182 9.168 1.00 0.00 C ATOM 1562 C ALA A 118 6.708 -5.332 9.100 1.00 0.00 C ATOM 1563 O ALA A 118 7.059 -6.471 8.781 1.00 0.00 O ATOM 1564 CB ALA A 118 8.126 -3.929 10.622 1.00 0.00 C ATOM 0 H ALA A 118 7.074 -2.197 9.302 1.00 0.00 H new ATOM 0 HA ALA A 118 8.590 -4.480 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.531 -4.845 11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.882 -3.145 10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.251 -3.617 11.192 1.00 0.00 H new ATOM 1570 N ARG A 119 5.431 -5.028 9.364 1.00 0.00 N ATOM 1571 CA ARG A 119 4.309 -5.962 9.248 1.00 0.00 C ATOM 1572 C ARG A 119 4.184 -6.539 7.831 1.00 0.00 C ATOM 1573 O ARG A 119 4.098 -7.756 7.669 1.00 0.00 O ATOM 1574 CB ARG A 119 3.011 -5.261 9.703 1.00 0.00 C ATOM 1575 CG ARG A 119 2.694 -5.464 11.196 1.00 0.00 C ATOM 1576 CD ARG A 119 1.466 -6.371 11.361 1.00 0.00 C ATOM 1577 NE ARG A 119 1.306 -6.862 12.744 1.00 0.00 N ATOM 1578 CZ ARG A 119 0.812 -6.230 13.793 1.00 0.00 C ATOM 1579 NH1 ARG A 119 0.409 -4.990 13.742 1.00 0.00 N ATOM 1580 NH2 ARG A 119 0.710 -6.847 14.935 1.00 0.00 N ATOM 0 H ARG A 119 5.144 -4.099 9.673 1.00 0.00 H new ATOM 0 HA ARG A 119 4.495 -6.814 9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 119 3.093 -4.193 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.178 -5.636 9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 119 3.553 -5.908 11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 119 2.509 -4.500 11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.571 -5.822 11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.553 -7.222 10.685 1.00 0.00 H new ATOM 0 HE ARG A 119 1.619 -7.818 12.912 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.469 -4.470 12.867 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.034 -4.541 14.577 1.00 0.00 H new ATOM 0 HH21 ARG A 119 1.012 -7.818 15.019 1.00 0.00 H new ATOM 0 HH22 ARG A 119 0.329 -6.360 15.746 1.00 0.00 H new ATOM 1594 N LEU A 120 4.222 -5.687 6.801 1.00 0.00 N ATOM 1595 CA LEU A 120 4.187 -6.110 5.390 1.00 0.00 C ATOM 1596 C LEU A 120 5.463 -6.872 4.982 1.00 0.00 C ATOM 1597 O LEU A 120 5.389 -7.843 4.227 1.00 0.00 O ATOM 1598 CB LEU A 120 3.947 -4.898 4.469 1.00 0.00 C ATOM 1599 CG LEU A 120 2.727 -4.031 4.834 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.655 -2.817 3.916 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.396 -4.776 4.772 1.00 0.00 C ATOM 0 H LEU A 120 4.278 -4.676 6.920 1.00 0.00 H new ATOM 0 HA LEU A 120 3.354 -6.803 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.837 -4.269 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.826 -5.257 3.447 1.00 0.00 H new ATOM 0 HG LEU A 120 2.877 -3.732 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.789 -2.211 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.562 -2.223 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.562 -3.148 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.587 -4.098 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.235 -5.149 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.415 -5.614 5.469 1.00 0.00 H new ATOM 1613 N GLN A 121 6.625 -6.473 5.512 1.00 0.00 N ATOM 1614 CA GLN A 121 7.906 -7.165 5.302 1.00 0.00 C ATOM 1615 C GLN A 121 7.839 -8.635 5.757 1.00 0.00 C ATOM 1616 O GLN A 121 8.293 -9.530 5.040 1.00 0.00 O ATOM 1617 CB GLN A 121 9.046 -6.420 6.029 1.00 0.00 C ATOM 1618 CG GLN A 121 9.750 -5.414 5.117 1.00 0.00 C ATOM 1619 CD GLN A 121 11.046 -4.884 5.725 1.00 0.00 C ATOM 1620 OE1 GLN A 121 12.118 -5.453 5.564 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.013 -3.775 6.434 1.00 0.00 N ATOM 0 H GLN A 121 6.705 -5.649 6.108 1.00 0.00 H new ATOM 0 HA GLN A 121 8.113 -7.163 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.642 -5.900 6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.773 -7.143 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.968 -5.887 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.079 -4.579 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.128 -3.288 6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.872 -3.403 6.839 1.00 0.00 H new ATOM 1630 N ALA A 122 7.235 -8.903 6.920 1.00 0.00 N ATOM 1631 CA ALA A 122 7.010 -10.260 7.418 1.00 0.00 C ATOM 1632 C ALA A 122 6.069 -11.082 6.514 1.00 0.00 C ATOM 1633 O ALA A 122 6.392 -12.225 6.179 1.00 0.00 O ATOM 1634 CB ALA A 122 6.492 -10.175 8.857 1.00 0.00 C ATOM 0 H ALA A 122 6.887 -8.177 7.545 1.00 0.00 H new ATOM 0 HA ALA A 122 7.958 -10.797 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.320 -11.180 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.230 -9.670 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.557 -9.615 8.875 1.00 0.00 H new ATOM 1640 N ALA A 123 4.948 -10.500 6.061 1.00 0.00 N ATOM 1641 CA ALA A 123 4.010 -11.151 5.135 1.00 0.00 C ATOM 1642 C ALA A 123 4.701 -11.644 3.847 1.00 0.00 C ATOM 1643 O ALA A 123 4.411 -12.738 3.361 1.00 0.00 O ATOM 1644 CB ALA A 123 2.850 -10.195 4.830 1.00 0.00 C ATOM 0 H ALA A 123 4.665 -9.557 6.329 1.00 0.00 H new ATOM 0 HA ALA A 123 3.615 -12.045 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.153 -10.676 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.332 -9.944 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.239 -9.285 4.374 1.00 0.00 H new ATOM 1650 N LEU A 124 5.645 -10.859 3.311 1.00 0.00 N ATOM 1651 CA LEU A 124 6.457 -11.241 2.153 1.00 0.00 C ATOM 1652 C LEU A 124 7.381 -12.423 2.458 1.00 0.00 C ATOM 1653 O LEU A 124 7.387 -13.404 1.711 1.00 0.00 O ATOM 1654 CB LEU A 124 7.301 -10.044 1.683 1.00 0.00 C ATOM 1655 CG LEU A 124 6.576 -9.100 0.720 1.00 0.00 C ATOM 1656 CD1 LEU A 124 7.487 -7.909 0.451 1.00 0.00 C ATOM 1657 CD2 LEU A 124 6.304 -9.794 -0.610 1.00 0.00 C ATOM 0 H LEU A 124 5.867 -9.932 3.674 1.00 0.00 H new ATOM 0 HA LEU A 124 5.769 -11.548 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.623 -9.476 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.202 -10.418 1.197 1.00 0.00 H new ATOM 0 HG LEU A 124 5.630 -8.793 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.993 -7.220 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.702 -7.397 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.419 -8.257 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.788 -9.106 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.248 -10.100 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.681 -10.672 -0.441 1.00 0.00 H new ATOM 1669 N ALA A 125 8.160 -12.341 3.542 1.00 0.00 N ATOM 1670 CA ALA A 125 9.087 -13.403 3.928 1.00 0.00 C ATOM 1671 C ALA A 125 8.365 -14.754 4.131 1.00 0.00 C ATOM 1672 O ALA A 125 8.856 -15.796 3.696 1.00 0.00 O ATOM 1673 CB ALA A 125 9.885 -12.969 5.171 1.00 0.00 C ATOM 0 H ALA A 125 8.164 -11.539 4.172 1.00 0.00 H new ATOM 0 HA ALA A 125 9.792 -13.565 3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.575 -13.763 5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.448 -12.063 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.198 -12.773 5.994 1.00 0.00 H new ATOM 1679 N GLU A 126 7.167 -14.735 4.726 1.00 0.00 N ATOM 1680 CA GLU A 126 6.295 -15.907 4.904 1.00 0.00 C ATOM 1681 C GLU A 126 5.922 -16.585 3.572 1.00 0.00 C ATOM 1682 O GLU A 126 5.931 -17.816 3.491 1.00 0.00 O ATOM 1683 CB GLU A 126 5.027 -15.500 5.671 1.00 0.00 C ATOM 1684 CG GLU A 126 5.286 -15.342 7.176 1.00 0.00 C ATOM 1685 CD GLU A 126 4.053 -14.769 7.905 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.967 -15.400 7.861 1.00 0.00 O ATOM 1687 OE2 GLU A 126 4.163 -13.699 8.552 1.00 0.00 O ATOM 0 H GLU A 126 6.764 -13.880 5.109 1.00 0.00 H new ATOM 0 HA GLU A 126 6.857 -16.642 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.647 -14.561 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.253 -16.251 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.546 -16.310 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.141 -14.684 7.332 1.00 0.00 H new ATOM 1694 N ARG A 127 5.618 -15.816 2.515 1.00 0.00 N ATOM 1695 CA ARG A 127 5.347 -16.355 1.166 1.00 0.00 C ATOM 1696 C ARG A 127 6.624 -16.850 0.476 1.00 0.00 C ATOM 1697 O ARG A 127 6.600 -17.887 -0.191 1.00 0.00 O ATOM 1698 CB ARG A 127 4.643 -15.299 0.292 1.00 0.00 C ATOM 1699 CG ARG A 127 3.222 -14.924 0.741 1.00 0.00 C ATOM 1700 CD ARG A 127 2.261 -16.123 0.753 1.00 0.00 C ATOM 1701 NE ARG A 127 0.848 -15.697 0.799 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.157 -15.248 1.832 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.680 -15.114 3.018 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -1.095 -14.919 1.689 1.00 0.00 N ATOM 0 H ARG A 127 5.552 -14.800 2.568 1.00 0.00 H new ATOM 0 HA ARG A 127 4.687 -17.214 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.253 -14.396 0.278 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.598 -15.669 -0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.265 -14.490 1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.828 -14.156 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.428 -16.731 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.478 -16.753 1.615 1.00 0.00 H new ATOM 0 HE ARG A 127 0.338 -15.757 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.657 -15.359 3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.112 -14.764 3.789 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.545 -15.008 0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.626 -14.573 2.488 1.00 0.00 H new ATOM 1718 N ARG A 128 7.756 -16.158 0.668 1.00 0.00 N ATOM 1719 CA ARG A 128 9.068 -16.522 0.094 1.00 0.00 C ATOM 1720 C ARG A 128 9.532 -17.927 0.480 1.00 0.00 C ATOM 1721 O ARG A 128 10.145 -18.595 -0.347 1.00 0.00 O ATOM 1722 CB ARG A 128 10.117 -15.449 0.451 1.00 0.00 C ATOM 1723 CG ARG A 128 11.314 -15.486 -0.517 1.00 0.00 C ATOM 1724 CD ARG A 128 12.190 -14.236 -0.373 1.00 0.00 C ATOM 1725 NE ARG A 128 13.198 -14.156 -1.451 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.153 -13.252 -1.581 1.00 0.00 C ATOM 1727 NH1 ARG A 128 14.356 -12.323 -0.689 1.00 0.00 N ATOM 1728 NH2 ARG A 128 14.932 -13.262 -2.623 1.00 0.00 N ATOM 0 H ARG A 128 7.790 -15.312 1.237 1.00 0.00 H new ATOM 0 HA ARG A 128 8.949 -16.551 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.654 -14.462 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.468 -15.607 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.913 -16.376 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.952 -15.562 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.562 -13.345 -0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.691 -14.251 0.595 1.00 0.00 H new ATOM 0 HE ARG A 128 13.151 -14.876 -2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.768 -12.278 0.143 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.103 -11.642 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.808 -13.971 -3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.667 -12.561 -2.717 1.00 0.00 H new