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= -0.0737 X(o=-0.074,f=-0.56) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00323 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 114 GLN : amide:sc=-0.00251 X(o=-0.0025,f=-0.46) USER MOD Single : A 121 GLN : amide:sc= -0.125 K(o=-0.13,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.280 18.190 7.701 1.00 0.00 N ATOM 575 CA ASN A 56 -1.992 17.621 7.300 1.00 0.00 C ATOM 576 C ASN A 56 -1.814 16.163 7.778 1.00 0.00 C ATOM 577 O ASN A 56 -1.401 15.308 6.993 1.00 0.00 O ATOM 578 CB ASN A 56 -0.875 18.538 7.830 1.00 0.00 C ATOM 579 CG ASN A 56 -0.906 19.915 7.185 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.465 20.112 6.062 1.00 0.00 O ATOM 581 ND2 ASN A 56 -1.429 20.911 7.869 1.00 0.00 N ATOM 0 HA ASN A 56 -1.946 17.574 6.212 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.975 18.643 8.910 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.093 18.073 7.643 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.466 21.845 7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.797 20.748 8.806 1.00 0.00 H new ATOM 588 N SER A 57 -2.140 15.849 9.041 1.00 0.00 N ATOM 589 CA SER A 57 -2.016 14.480 9.581 1.00 0.00 C ATOM 590 C SER A 57 -2.997 13.511 8.913 1.00 0.00 C ATOM 591 O SER A 57 -2.632 12.378 8.600 1.00 0.00 O ATOM 592 CB SER A 57 -2.161 14.457 11.109 1.00 0.00 C ATOM 593 OG SER A 57 -3.459 14.843 11.518 1.00 0.00 O ATOM 0 H SER A 57 -2.494 16.528 9.714 1.00 0.00 H new ATOM 0 HA SER A 57 -1.009 14.136 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.946 13.455 11.480 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.425 15.127 11.554 1.00 0.00 H new ATOM 0 HG SER A 57 -3.516 14.815 12.496 1.00 0.00 H new ATOM 599 N HIS A 58 -4.221 13.960 8.615 1.00 0.00 N ATOM 600 CA HIS A 58 -5.224 13.181 7.881 1.00 0.00 C ATOM 601 C HIS A 58 -4.706 12.781 6.496 1.00 0.00 C ATOM 602 O HIS A 58 -4.854 11.623 6.112 1.00 0.00 O ATOM 603 CB HIS A 58 -6.534 13.977 7.785 1.00 0.00 C ATOM 604 CG HIS A 58 -7.564 13.306 6.909 1.00 0.00 C ATOM 605 ND1 HIS A 58 -7.825 13.613 5.583 1.00 0.00 N ATOM 606 CD2 HIS A 58 -8.349 12.245 7.267 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.757 12.742 5.142 1.00 0.00 C ATOM 608 NE2 HIS A 58 -9.093 11.906 6.148 1.00 0.00 N ATOM 0 H HIS A 58 -4.548 14.889 8.881 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.422 12.258 8.427 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.946 14.111 8.785 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.322 14.971 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.383 11.765 8.234 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.168 12.718 4.144 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.778 11.153 6.093 1.00 0.00 H new ATOM 617 N PHE A 59 -4.059 13.701 5.768 1.00 0.00 N ATOM 618 CA PHE A 59 -3.438 13.407 4.470 1.00 0.00 C ATOM 619 C PHE A 59 -2.427 12.259 4.575 1.00 0.00 C ATOM 620 O PHE A 59 -2.495 11.316 3.786 1.00 0.00 O ATOM 621 CB PHE A 59 -2.767 14.657 3.883 1.00 0.00 C ATOM 622 CG PHE A 59 -2.477 14.530 2.398 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.373 13.778 1.949 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.333 15.136 1.459 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.135 13.622 0.571 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.089 14.990 0.081 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.993 14.229 -0.364 1.00 0.00 C ATOM 0 H PHE A 59 -3.951 14.671 6.063 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.235 13.093 3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.411 15.521 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.835 14.847 4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.707 13.320 2.665 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.180 15.715 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.294 13.036 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.744 15.463 -0.636 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.810 14.111 -1.422 1.00 0.00 H new ATOM 637 N PHE A 60 -1.524 12.310 5.563 1.00 0.00 N ATOM 638 CA PHE A 60 -0.567 11.236 5.834 1.00 0.00 C ATOM 639 C PHE A 60 -1.271 9.898 6.068 1.00 0.00 C ATOM 640 O PHE A 60 -1.014 8.943 5.342 1.00 0.00 O ATOM 641 CB PHE A 60 0.324 11.579 7.037 1.00 0.00 C ATOM 642 CG PHE A 60 1.129 10.389 7.535 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.002 9.732 6.652 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.927 9.860 8.826 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.650 8.553 7.044 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.605 8.694 9.229 1.00 0.00 C ATOM 647 CZ PHE A 60 2.462 8.035 8.332 1.00 0.00 C ATOM 0 H PHE A 60 -1.439 13.103 6.199 1.00 0.00 H new ATOM 0 HA PHE A 60 0.062 11.139 4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.006 12.383 6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.299 11.955 7.849 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.175 10.138 5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.249 10.351 9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.298 8.040 6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.466 8.306 10.227 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.974 7.133 8.634 1.00 0.00 H new ATOM 657 N VAL A 61 -2.168 9.827 7.053 1.00 0.00 N ATOM 658 CA VAL A 61 -2.903 8.598 7.392 1.00 0.00 C ATOM 659 C VAL A 61 -3.641 8.036 6.167 1.00 0.00 C ATOM 660 O VAL A 61 -3.599 6.830 5.914 1.00 0.00 O ATOM 661 CB VAL A 61 -3.870 8.856 8.563 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.704 7.611 8.883 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.116 9.252 9.842 1.00 0.00 C ATOM 0 H VAL A 61 -2.409 10.623 7.644 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.182 7.844 7.709 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.519 9.672 8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.376 7.827 9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.289 7.330 8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.042 6.790 9.156 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.831 9.426 10.646 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.437 8.449 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.545 10.163 9.661 1.00 0.00 H new ATOM 673 N ALA A 62 -4.274 8.908 5.377 1.00 0.00 N ATOM 674 CA ALA A 62 -5.016 8.546 4.169 1.00 0.00 C ATOM 675 C ALA A 62 -4.102 7.961 3.078 1.00 0.00 C ATOM 676 O ALA A 62 -4.340 6.852 2.591 1.00 0.00 O ATOM 677 CB ALA A 62 -5.779 9.779 3.663 1.00 0.00 C ATOM 0 H ALA A 62 -4.284 9.910 5.566 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.726 7.758 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.335 9.518 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.473 10.119 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.072 10.576 3.435 1.00 0.00 H new ATOM 683 N THR A 63 -3.052 8.692 2.691 1.00 0.00 N ATOM 684 CA THR A 63 -2.102 8.247 1.663 1.00 0.00 C ATOM 685 C THR A 63 -1.345 6.987 2.104 1.00 0.00 C ATOM 686 O THR A 63 -1.290 6.016 1.347 1.00 0.00 O ATOM 687 CB THR A 63 -1.186 9.398 1.202 1.00 0.00 C ATOM 688 OG1 THR A 63 -0.683 9.101 -0.083 1.00 0.00 O ATOM 689 CG2 THR A 63 0.002 9.723 2.100 1.00 0.00 C ATOM 0 H THR A 63 -2.835 9.609 3.081 1.00 0.00 H new ATOM 0 HA THR A 63 -2.668 7.953 0.779 1.00 0.00 H new ATOM 0 HB THR A 63 -1.827 10.279 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.101 9.830 -0.383 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.569 10.549 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.357 10.006 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.645 8.847 2.184 1.00 0.00 H new ATOM 697 N PHE A 64 -0.890 6.922 3.365 1.00 0.00 N ATOM 698 CA PHE A 64 -0.237 5.753 3.956 1.00 0.00 C ATOM 699 C PHE A 64 -1.113 4.496 3.860 1.00 0.00 C ATOM 700 O PHE A 64 -0.638 3.455 3.407 1.00 0.00 O ATOM 701 CB PHE A 64 0.150 6.063 5.412 1.00 0.00 C ATOM 702 CG PHE A 64 0.982 4.983 6.070 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.357 3.878 6.682 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.388 5.068 6.046 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.137 2.840 7.221 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.161 4.020 6.573 1.00 0.00 C ATOM 707 CZ PHE A 64 2.537 2.902 7.140 1.00 0.00 C ATOM 0 H PHE A 64 -0.970 7.704 4.015 1.00 0.00 H new ATOM 0 HA PHE A 64 0.668 5.538 3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.704 7.001 5.438 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.759 6.213 5.995 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.720 3.829 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.871 5.937 5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.660 1.996 7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.239 4.077 6.541 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.135 2.085 7.516 1.00 0.00 H new ATOM 717 N ALA A 65 -2.398 4.588 4.232 1.00 0.00 N ATOM 718 CA ALA A 65 -3.363 3.492 4.131 1.00 0.00 C ATOM 719 C ALA A 65 -3.526 2.963 2.691 1.00 0.00 C ATOM 720 O ALA A 65 -3.477 1.751 2.466 1.00 0.00 O ATOM 721 CB ALA A 65 -4.706 3.950 4.709 1.00 0.00 C ATOM 0 H ALA A 65 -2.799 5.443 4.618 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.979 2.653 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.429 3.138 4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.576 4.228 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.069 4.811 4.147 1.00 0.00 H new ATOM 727 N ARG A 66 -3.694 3.854 1.705 1.00 0.00 N ATOM 728 CA ARG A 66 -3.809 3.482 0.282 1.00 0.00 C ATOM 729 C ARG A 66 -2.531 2.849 -0.276 1.00 0.00 C ATOM 730 O ARG A 66 -2.600 1.877 -1.027 1.00 0.00 O ATOM 731 CB ARG A 66 -4.233 4.702 -0.551 1.00 0.00 C ATOM 732 CG ARG A 66 -5.702 5.057 -0.280 1.00 0.00 C ATOM 733 CD ARG A 66 -6.203 6.145 -1.238 1.00 0.00 C ATOM 734 NE ARG A 66 -7.677 6.253 -1.209 1.00 0.00 N ATOM 735 CZ ARG A 66 -8.551 5.463 -1.811 1.00 0.00 C ATOM 736 NH1 ARG A 66 -8.185 4.441 -2.534 1.00 0.00 N ATOM 737 NH2 ARG A 66 -9.830 5.681 -1.694 1.00 0.00 N ATOM 0 H ARG A 66 -3.755 4.859 1.869 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.581 2.715 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.597 5.553 -0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.094 4.491 -1.611 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.319 4.165 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.811 5.399 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.761 7.103 -0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.873 5.919 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.064 7.023 -0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.194 4.228 -2.651 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.889 3.855 -2.982 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.165 6.466 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.497 5.067 -2.162 1.00 0.00 H new ATOM 751 N GLU A 67 -1.366 3.360 0.113 1.00 0.00 N ATOM 752 CA GLU A 67 -0.063 2.825 -0.277 1.00 0.00 C ATOM 753 C GLU A 67 0.190 1.441 0.334 1.00 0.00 C ATOM 754 O GLU A 67 0.454 0.498 -0.415 1.00 0.00 O ATOM 755 CB GLU A 67 1.031 3.827 0.111 1.00 0.00 C ATOM 756 CG GLU A 67 1.051 5.023 -0.848 1.00 0.00 C ATOM 757 CD GLU A 67 2.076 6.088 -0.422 1.00 0.00 C ATOM 758 OE1 GLU A 67 1.932 6.663 0.678 1.00 0.00 O ATOM 759 OE2 GLU A 67 3.021 6.368 -1.201 1.00 0.00 O ATOM 0 H GLU A 67 -1.299 4.176 0.722 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.048 2.687 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.863 4.177 1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.002 3.332 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.286 4.676 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.058 5.471 -0.889 1.00 0.00 H new ATOM 766 N ARG A 68 0.057 1.276 1.663 1.00 0.00 N ATOM 767 CA ARG A 68 0.240 -0.028 2.335 1.00 0.00 C ATOM 768 C ARG A 68 -0.686 -1.095 1.758 1.00 0.00 C ATOM 769 O ARG A 68 -0.265 -2.233 1.572 1.00 0.00 O ATOM 770 CB ARG A 68 0.122 0.084 3.874 1.00 0.00 C ATOM 771 CG ARG A 68 -1.301 0.252 4.420 1.00 0.00 C ATOM 772 CD ARG A 68 -1.355 0.201 5.949 1.00 0.00 C ATOM 773 NE ARG A 68 -1.320 -1.187 6.450 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.324 -1.579 7.712 1.00 0.00 C ATOM 775 NH1 ARG A 68 -1.263 -0.733 8.700 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.404 -2.843 8.007 1.00 0.00 N ATOM 0 H ARG A 68 -0.179 2.037 2.300 1.00 0.00 H new ATOM 0 HA ARG A 68 1.261 -0.351 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.560 -0.809 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.721 0.932 4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.708 1.204 4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.938 -0.532 4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.514 0.758 6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.264 0.691 6.298 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.289 -1.924 5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.210 0.268 8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.268 -1.071 9.662 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.464 -3.538 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.407 -3.140 8.983 1.00 0.00 H new ATOM 790 N ALA A 69 -1.918 -0.711 1.419 1.00 0.00 N ATOM 791 CA ALA A 69 -2.902 -1.589 0.791 1.00 0.00 C ATOM 792 C ALA A 69 -2.413 -2.104 -0.573 1.00 0.00 C ATOM 793 O ALA A 69 -2.425 -3.312 -0.798 1.00 0.00 O ATOM 794 CB ALA A 69 -4.247 -0.862 0.677 1.00 0.00 C ATOM 0 H ALA A 69 -2.264 0.235 1.577 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.038 -2.468 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.978 -1.521 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.595 -0.583 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.125 0.035 0.070 1.00 0.00 H new ATOM 800 N ALA A 70 -1.932 -1.223 -1.458 1.00 0.00 N ATOM 801 CA ALA A 70 -1.372 -1.609 -2.756 1.00 0.00 C ATOM 802 C ALA A 70 -0.227 -2.635 -2.620 1.00 0.00 C ATOM 803 O ALA A 70 -0.185 -3.615 -3.365 1.00 0.00 O ATOM 804 CB ALA A 70 -0.920 -0.350 -3.506 1.00 0.00 C ATOM 0 H ALA A 70 -1.921 -0.217 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.151 -2.108 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.503 -0.632 -4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.775 0.309 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.161 0.169 -2.921 1.00 0.00 H new ATOM 810 N VAL A 71 0.673 -2.447 -1.644 1.00 0.00 N ATOM 811 CA VAL A 71 1.755 -3.405 -1.359 1.00 0.00 C ATOM 812 C VAL A 71 1.223 -4.742 -0.835 1.00 0.00 C ATOM 813 O VAL A 71 1.609 -5.801 -1.322 1.00 0.00 O ATOM 814 CB VAL A 71 2.778 -2.864 -0.345 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.996 -3.793 -0.347 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.203 -1.418 -0.622 1.00 0.00 C ATOM 0 H VAL A 71 0.673 -1.631 -1.032 1.00 0.00 H new ATOM 0 HA VAL A 71 2.250 -3.558 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 71 2.303 -2.847 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.734 -3.427 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.687 -4.799 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.435 -3.815 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.925 -1.100 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.658 -1.355 -1.611 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.329 -0.768 -0.583 1.00 0.00 H new ATOM 826 N GLU A 72 0.347 -4.705 0.168 1.00 0.00 N ATOM 827 CA GLU A 72 -0.217 -5.897 0.809 1.00 0.00 C ATOM 828 C GLU A 72 -1.059 -6.740 -0.172 1.00 0.00 C ATOM 829 O GLU A 72 -1.067 -7.966 -0.089 1.00 0.00 O ATOM 830 CB GLU A 72 -0.995 -5.444 2.057 1.00 0.00 C ATOM 831 CG GLU A 72 -1.089 -6.494 3.173 1.00 0.00 C ATOM 832 CD GLU A 72 -2.220 -7.530 2.993 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.355 -7.150 2.615 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.001 -8.722 3.317 1.00 0.00 O ATOM 0 H GLU A 72 0.002 -3.832 0.567 1.00 0.00 H new ATOM 0 HA GLU A 72 0.582 -6.569 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.520 -4.549 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.004 -5.162 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.138 -7.023 3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.233 -5.981 4.124 1.00 0.00 H new ATOM 841 N GLU A 73 -1.708 -6.105 -1.157 1.00 0.00 N ATOM 842 CA GLU A 73 -2.466 -6.761 -2.234 1.00 0.00 C ATOM 843 C GLU A 73 -1.546 -7.375 -3.312 1.00 0.00 C ATOM 844 O GLU A 73 -1.836 -8.453 -3.834 1.00 0.00 O ATOM 845 CB GLU A 73 -3.453 -5.741 -2.840 1.00 0.00 C ATOM 846 CG GLU A 73 -4.815 -6.313 -3.259 1.00 0.00 C ATOM 847 CD GLU A 73 -4.806 -7.096 -4.581 1.00 0.00 C ATOM 848 OE1 GLU A 73 -4.471 -6.513 -5.642 1.00 0.00 O ATOM 849 OE2 GLU A 73 -5.221 -8.279 -4.584 1.00 0.00 O ATOM 0 H GLU A 73 -1.721 -5.088 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.022 -7.598 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.620 -4.946 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.986 -5.283 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.177 -6.969 -2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.527 -5.492 -3.344 1.00 0.00 H new ATOM 856 N LEU A 74 -0.396 -6.749 -3.605 1.00 0.00 N ATOM 857 CA LEU A 74 0.632 -7.262 -4.528 1.00 0.00 C ATOM 858 C LEU A 74 1.207 -8.623 -4.080 1.00 0.00 C ATOM 859 O LEU A 74 1.656 -9.403 -4.919 1.00 0.00 O ATOM 860 CB LEU A 74 1.707 -6.170 -4.720 1.00 0.00 C ATOM 861 CG LEU A 74 2.947 -6.515 -5.568 1.00 0.00 C ATOM 862 CD1 LEU A 74 2.648 -6.944 -7.000 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.841 -5.274 -5.660 1.00 0.00 C ATOM 0 H LEU A 74 -0.147 -5.848 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 74 0.179 -7.474 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.225 -5.303 -5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.053 -5.865 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 74 3.416 -7.360 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.582 -7.165 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.019 -7.834 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.128 -6.139 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.723 -5.504 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.287 -4.461 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.150 -4.973 -4.659 1.00 0.00 H new ATOM 875 N LEU A 75 1.129 -8.961 -2.787 1.00 0.00 N ATOM 876 CA LEU A 75 1.541 -10.268 -2.252 1.00 0.00 C ATOM 877 C LEU A 75 0.734 -11.434 -2.862 1.00 0.00 C ATOM 878 O LEU A 75 1.291 -12.502 -3.112 1.00 0.00 O ATOM 879 CB LEU A 75 1.428 -10.283 -0.716 1.00 0.00 C ATOM 880 CG LEU A 75 2.130 -9.122 0.014 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.951 -9.276 1.521 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.631 -9.063 -0.270 1.00 0.00 C ATOM 0 H LEU A 75 0.773 -8.327 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 75 2.583 -10.415 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.372 -10.272 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.841 -11.222 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 75 1.671 -8.205 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.449 -8.453 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.889 -9.265 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.387 -10.221 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.071 -8.225 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.100 -9.992 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.794 -8.930 -1.339 1.00 0.00 H new ATOM 894 N GLU A 76 -0.560 -11.238 -3.144 1.00 0.00 N ATOM 895 CA GLU A 76 -1.414 -12.222 -3.822 1.00 0.00 C ATOM 896 C GLU A 76 -1.130 -12.306 -5.334 1.00 0.00 C ATOM 897 O GLU A 76 -1.238 -13.383 -5.925 1.00 0.00 O ATOM 898 CB GLU A 76 -2.893 -11.869 -3.581 1.00 0.00 C ATOM 899 CG GLU A 76 -3.483 -12.580 -2.358 1.00 0.00 C ATOM 900 CD GLU A 76 -2.780 -12.230 -1.032 1.00 0.00 C ATOM 901 OE1 GLU A 76 -3.128 -11.194 -0.418 1.00 0.00 O ATOM 902 OE2 GLU A 76 -1.917 -13.020 -0.576 1.00 0.00 O ATOM 0 H GLU A 76 -1.051 -10.377 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.188 -13.202 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.987 -10.791 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.474 -12.134 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.539 -12.324 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.427 -13.657 -2.514 1.00 0.00 H new ATOM 909 N ARG A 77 -0.738 -11.188 -5.967 1.00 0.00 N ATOM 910 CA ARG A 77 -0.326 -11.118 -7.385 1.00 0.00 C ATOM 911 C ARG A 77 1.084 -11.673 -7.635 1.00 0.00 C ATOM 912 O ARG A 77 1.431 -11.956 -8.784 1.00 0.00 O ATOM 913 CB ARG A 77 -0.422 -9.663 -7.890 1.00 0.00 C ATOM 914 CG ARG A 77 -1.835 -9.220 -8.300 1.00 0.00 C ATOM 915 CD ARG A 77 -2.857 -9.268 -7.157 1.00 0.00 C ATOM 916 NE ARG A 77 -4.116 -8.590 -7.503 1.00 0.00 N ATOM 917 CZ ARG A 77 -5.124 -9.024 -8.231 1.00 0.00 C ATOM 918 NH1 ARG A 77 -5.106 -10.183 -8.831 1.00 0.00 N ATOM 919 NH2 ARG A 77 -6.186 -8.286 -8.374 1.00 0.00 N ATOM 0 H ARG A 77 -0.697 -10.283 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.013 -11.754 -7.943 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.059 -8.996 -7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.244 -9.544 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.788 -8.203 -8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.183 -9.857 -9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.065 -10.307 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -2.428 -8.802 -6.270 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.224 -7.649 -7.125 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.290 -10.789 -8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.908 -10.482 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.237 -7.373 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.968 -8.621 -8.938 1.00 0.00 H new ATOM 933 N ALA A 78 1.897 -11.843 -6.592 1.00 0.00 N ATOM 934 CA ALA A 78 3.243 -12.406 -6.658 1.00 0.00 C ATOM 935 C ALA A 78 3.244 -13.930 -6.905 1.00 0.00 C ATOM 936 O ALA A 78 3.491 -14.735 -6.007 1.00 0.00 O ATOM 937 CB ALA A 78 4.030 -11.982 -5.409 1.00 0.00 C ATOM 0 H ALA A 78 1.625 -11.582 -5.644 1.00 0.00 H new ATOM 0 HA ALA A 78 3.754 -11.999 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.036 -12.400 -5.453 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.090 -10.894 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.523 -12.350 -4.517 1.00 0.00 H new ATOM 943 N GLU A 79 2.988 -14.329 -8.155 1.00 0.00 N ATOM 944 CA GLU A 79 3.042 -15.725 -8.621 1.00 0.00 C ATOM 945 C GLU A 79 4.461 -16.337 -8.625 1.00 0.00 C ATOM 946 O GLU A 79 4.600 -17.563 -8.596 1.00 0.00 O ATOM 947 CB GLU A 79 2.411 -15.828 -10.021 1.00 0.00 C ATOM 948 CG GLU A 79 3.192 -15.092 -11.125 1.00 0.00 C ATOM 949 CD GLU A 79 2.501 -15.235 -12.496 1.00 0.00 C ATOM 950 OE1 GLU A 79 2.440 -16.363 -13.043 1.00 0.00 O ATOM 951 OE2 GLU A 79 2.027 -14.213 -13.050 1.00 0.00 O ATOM 0 H GLU A 79 2.730 -13.674 -8.894 1.00 0.00 H new ATOM 0 HA GLU A 79 2.472 -16.311 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.327 -16.880 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.398 -15.427 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.279 -14.036 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.205 -15.491 -11.183 1.00 0.00 H new ATOM 958 N SER A 80 5.499 -15.491 -8.640 1.00 0.00 N ATOM 959 CA SER A 80 6.924 -15.859 -8.663 1.00 0.00 C ATOM 960 C SER A 80 7.763 -14.901 -7.806 1.00 0.00 C ATOM 961 O SER A 80 7.335 -13.786 -7.489 1.00 0.00 O ATOM 962 CB SER A 80 7.457 -15.858 -10.106 1.00 0.00 C ATOM 963 OG SER A 80 6.829 -16.863 -10.888 1.00 0.00 O ATOM 0 H SER A 80 5.363 -14.480 -8.636 1.00 0.00 H new ATOM 0 HA SER A 80 7.010 -16.862 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.285 -14.881 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.535 -16.021 -10.098 1.00 0.00 H new ATOM 0 HG SER A 80 7.186 -16.838 -11.800 1.00 0.00 H new ATOM 969 N VAL A 81 8.997 -15.308 -7.483 1.00 0.00 N ATOM 970 CA VAL A 81 9.975 -14.528 -6.691 1.00 0.00 C ATOM 971 C VAL A 81 10.266 -13.152 -7.327 1.00 0.00 C ATOM 972 O VAL A 81 10.475 -12.166 -6.626 1.00 0.00 O ATOM 973 CB VAL A 81 11.281 -15.330 -6.487 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.236 -14.643 -5.502 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.007 -16.734 -5.918 1.00 0.00 C ATOM 0 H VAL A 81 9.360 -16.216 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 81 9.528 -14.343 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 81 11.732 -15.391 -7.478 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.139 -15.244 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.501 -13.656 -5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.747 -14.541 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.950 -17.265 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.507 -16.645 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.370 -17.288 -6.607 1.00 0.00 H new ATOM 985 N GLU A 82 10.198 -13.055 -8.659 1.00 0.00 N ATOM 986 CA GLU A 82 10.343 -11.817 -9.446 1.00 0.00 C ATOM 987 C GLU A 82 9.374 -10.706 -8.990 1.00 0.00 C ATOM 988 O GLU A 82 9.794 -9.596 -8.655 1.00 0.00 O ATOM 989 CB GLU A 82 10.113 -12.131 -10.937 1.00 0.00 C ATOM 990 CG GLU A 82 11.161 -13.086 -11.532 1.00 0.00 C ATOM 991 CD GLU A 82 10.824 -13.520 -12.977 1.00 0.00 C ATOM 992 OE1 GLU A 82 10.271 -12.715 -13.765 1.00 0.00 O ATOM 993 OE2 GLU A 82 11.131 -14.682 -13.343 1.00 0.00 O ATOM 0 H GLU A 82 10.033 -13.871 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 82 11.354 -11.443 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.123 -12.570 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.121 -11.199 -11.502 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.136 -12.600 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.239 -13.971 -10.901 1.00 0.00 H new ATOM 1000 N ARG A 83 8.068 -11.012 -8.956 1.00 0.00 N ATOM 1001 CA ARG A 83 6.997 -10.118 -8.476 1.00 0.00 C ATOM 1002 C ARG A 83 7.040 -9.905 -6.959 1.00 0.00 C ATOM 1003 O ARG A 83 6.704 -8.823 -6.482 1.00 0.00 O ATOM 1004 CB ARG A 83 5.635 -10.700 -8.886 1.00 0.00 C ATOM 1005 CG ARG A 83 5.286 -10.474 -10.366 1.00 0.00 C ATOM 1006 CD ARG A 83 4.637 -9.097 -10.570 1.00 0.00 C ATOM 1007 NE ARG A 83 4.332 -8.830 -11.989 1.00 0.00 N ATOM 1008 CZ ARG A 83 3.327 -9.297 -12.711 1.00 0.00 C ATOM 1009 NH1 ARG A 83 2.440 -10.122 -12.226 1.00 0.00 N ATOM 1010 NH2 ARG A 83 3.193 -8.939 -13.956 1.00 0.00 N ATOM 0 H ARG A 83 7.715 -11.916 -9.271 1.00 0.00 H new ATOM 0 HA ARG A 83 7.150 -9.141 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.631 -11.770 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.858 -10.253 -8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.189 -10.549 -10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.607 -11.255 -10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.719 -9.040 -9.986 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.304 -8.323 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 83 4.978 -8.207 -12.474 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.507 -10.430 -11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.680 -10.459 -12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.864 -8.297 -14.377 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.417 -9.301 -14.510 1.00 0.00 H new ATOM 1024 N LEU A 84 7.477 -10.911 -6.201 1.00 0.00 N ATOM 1025 CA LEU A 84 7.647 -10.830 -4.749 1.00 0.00 C ATOM 1026 C LEU A 84 8.683 -9.766 -4.343 1.00 0.00 C ATOM 1027 O LEU A 84 8.420 -8.948 -3.467 1.00 0.00 O ATOM 1028 CB LEU A 84 8.045 -12.217 -4.231 1.00 0.00 C ATOM 1029 CG LEU A 84 8.073 -12.297 -2.699 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.667 -12.423 -2.118 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.911 -13.497 -2.280 1.00 0.00 C ATOM 0 H LEU A 84 7.727 -11.822 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 84 6.704 -10.519 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.344 -12.958 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.029 -12.476 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 84 8.510 -11.376 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.726 -12.477 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.075 -11.554 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.195 -13.328 -2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.936 -13.561 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.472 -14.408 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.926 -13.382 -2.660 1.00 0.00 H new ATOM 1043 N GLU A 85 9.854 -9.743 -4.982 1.00 0.00 N ATOM 1044 CA GLU A 85 10.883 -8.725 -4.709 1.00 0.00 C ATOM 1045 C GLU A 85 10.394 -7.294 -5.005 1.00 0.00 C ATOM 1046 O GLU A 85 10.846 -6.343 -4.366 1.00 0.00 O ATOM 1047 CB GLU A 85 12.186 -9.044 -5.460 1.00 0.00 C ATOM 1048 CG GLU A 85 12.880 -10.277 -4.852 1.00 0.00 C ATOM 1049 CD GLU A 85 14.313 -10.517 -5.368 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.628 -10.198 -6.542 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.135 -11.059 -4.583 1.00 0.00 O ATOM 0 H GLU A 85 10.119 -10.420 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 85 11.091 -8.762 -3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.969 -9.225 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.856 -8.185 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.911 -10.165 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.277 -11.160 -5.064 1.00 0.00 H new ATOM 1058 N GLU A 86 9.437 -7.124 -5.926 1.00 0.00 N ATOM 1059 CA GLU A 86 8.819 -5.824 -6.215 1.00 0.00 C ATOM 1060 C GLU A 86 7.998 -5.328 -5.010 1.00 0.00 C ATOM 1061 O GLU A 86 8.142 -4.175 -4.604 1.00 0.00 O ATOM 1062 CB GLU A 86 7.970 -5.903 -7.497 1.00 0.00 C ATOM 1063 CG GLU A 86 7.652 -4.510 -8.052 1.00 0.00 C ATOM 1064 CD GLU A 86 6.934 -4.603 -9.411 1.00 0.00 C ATOM 1065 OE1 GLU A 86 5.684 -4.706 -9.434 1.00 0.00 O ATOM 1066 OE2 GLU A 86 7.614 -4.554 -10.466 1.00 0.00 O ATOM 0 H GLU A 86 9.068 -7.887 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 86 9.608 -5.093 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.502 -6.483 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.040 -6.432 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.026 -3.967 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.575 -3.941 -8.163 1.00 0.00 H new ATOM 1073 N ALA A 87 7.201 -6.197 -4.374 1.00 0.00 N ATOM 1074 CA ALA A 87 6.453 -5.875 -3.152 1.00 0.00 C ATOM 1075 C ALA A 87 7.368 -5.365 -2.018 1.00 0.00 C ATOM 1076 O ALA A 87 7.068 -4.356 -1.375 1.00 0.00 O ATOM 1077 CB ALA A 87 5.641 -7.099 -2.707 1.00 0.00 C ATOM 0 H ALA A 87 7.056 -7.154 -4.697 1.00 0.00 H new ATOM 0 HA ALA A 87 5.770 -5.057 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.087 -6.858 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.942 -7.379 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.316 -7.931 -2.509 1.00 0.00 H new ATOM 1083 N ALA A 88 8.522 -6.009 -1.810 1.00 0.00 N ATOM 1084 CA ALA A 88 9.527 -5.571 -0.834 1.00 0.00 C ATOM 1085 C ALA A 88 10.159 -4.196 -1.151 1.00 0.00 C ATOM 1086 O ALA A 88 10.693 -3.534 -0.262 1.00 0.00 O ATOM 1087 CB ALA A 88 10.604 -6.654 -0.712 1.00 0.00 C ATOM 0 H ALA A 88 8.787 -6.854 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 88 9.013 -5.432 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.356 -6.339 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.147 -7.585 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.076 -6.809 -1.682 1.00 0.00 H new ATOM 1093 N SER A 89 10.077 -3.742 -2.404 1.00 0.00 N ATOM 1094 CA SER A 89 10.528 -2.418 -2.854 1.00 0.00 C ATOM 1095 C SER A 89 9.434 -1.371 -2.634 1.00 0.00 C ATOM 1096 O SER A 89 9.724 -0.261 -2.180 1.00 0.00 O ATOM 1097 CB SER A 89 10.939 -2.484 -4.333 1.00 0.00 C ATOM 1098 OG SER A 89 11.623 -1.306 -4.731 1.00 0.00 O ATOM 0 H SER A 89 9.682 -4.302 -3.160 1.00 0.00 H new ATOM 0 HA SER A 89 11.395 -2.119 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.579 -3.351 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.053 -2.620 -4.953 1.00 0.00 H new ATOM 0 HG SER A 89 11.874 -1.377 -5.676 1.00 0.00 H new ATOM 1104 N ARG A 90 8.161 -1.724 -2.875 1.00 0.00 N ATOM 1105 CA ARG A 90 7.018 -0.840 -2.598 1.00 0.00 C ATOM 1106 C ARG A 90 6.956 -0.433 -1.120 1.00 0.00 C ATOM 1107 O ARG A 90 6.780 0.751 -0.829 1.00 0.00 O ATOM 1108 CB ARG A 90 5.686 -1.477 -3.031 1.00 0.00 C ATOM 1109 CG ARG A 90 5.526 -1.895 -4.500 1.00 0.00 C ATOM 1110 CD ARG A 90 5.882 -0.777 -5.482 1.00 0.00 C ATOM 1111 NE ARG A 90 5.485 -1.124 -6.860 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.647 -0.379 -7.938 1.00 0.00 C ATOM 1113 NH1 ARG A 90 6.253 0.775 -7.895 1.00 0.00 N ATOM 1114 NH2 ARG A 90 5.194 -0.778 -9.092 1.00 0.00 N ATOM 0 H ARG A 90 7.896 -2.628 -3.266 1.00 0.00 H new ATOM 0 HA ARG A 90 7.173 0.061 -3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.523 -2.360 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.888 -0.773 -2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.160 -2.760 -4.697 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.496 -2.209 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.386 0.146 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.955 -0.588 -5.447 1.00 0.00 H new ATOM 0 HE ARG A 90 5.040 -2.032 -6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.618 1.127 -7.010 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.362 1.326 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.710 -1.672 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.324 -0.196 -9.920 1.00 0.00 H new ATOM 1128 N LEU A 91 7.149 -1.373 -0.184 1.00 0.00 N ATOM 1129 CA LEU A 91 7.159 -1.055 1.257 1.00 0.00 C ATOM 1130 C LEU A 91 8.360 -0.187 1.673 1.00 0.00 C ATOM 1131 O LEU A 91 8.218 0.685 2.525 1.00 0.00 O ATOM 1132 CB LEU A 91 7.016 -2.339 2.100 1.00 0.00 C ATOM 1133 CG LEU A 91 8.297 -3.149 2.355 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.020 -2.694 3.628 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.949 -4.631 2.497 1.00 0.00 C ATOM 0 H LEU A 91 7.300 -2.359 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 91 6.286 -0.435 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.590 -2.066 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.295 -2.991 1.606 1.00 0.00 H new ATOM 0 HG LEU A 91 8.959 -2.986 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.919 -3.293 3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.295 -1.643 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.360 -2.822 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.859 -5.203 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.264 -4.765 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.475 -4.983 1.581 1.00 0.00 H new ATOM 1147 N GLN A 92 9.533 -0.375 1.057 1.00 0.00 N ATOM 1148 CA GLN A 92 10.717 0.462 1.301 1.00 0.00 C ATOM 1149 C GLN A 92 10.476 1.939 0.943 1.00 0.00 C ATOM 1150 O GLN A 92 10.980 2.841 1.614 1.00 0.00 O ATOM 1151 CB GLN A 92 11.925 -0.129 0.549 1.00 0.00 C ATOM 1152 CG GLN A 92 12.652 -1.219 1.359 1.00 0.00 C ATOM 1153 CD GLN A 92 13.448 -0.686 2.554 1.00 0.00 C ATOM 1154 OE1 GLN A 92 13.848 0.469 2.628 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.729 -1.511 3.541 1.00 0.00 N ATOM 0 H GLN A 92 9.690 -1.115 0.372 1.00 0.00 H new ATOM 0 HA GLN A 92 10.931 0.454 2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.588 -0.550 -0.398 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.627 0.670 0.311 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.918 -1.940 1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.329 -1.758 0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.408 -2.478 3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.268 -1.183 4.342 1.00 0.00 H new ATOM 1164 N GLY A 93 9.633 2.186 -0.060 1.00 0.00 N ATOM 1165 CA GLY A 93 9.197 3.522 -0.477 1.00 0.00 C ATOM 1166 C GLY A 93 8.265 4.217 0.527 1.00 0.00 C ATOM 1167 O GLY A 93 8.287 5.445 0.627 1.00 0.00 O ATOM 0 H GLY A 93 9.222 1.441 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.076 4.147 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.686 3.443 -1.437 1.00 0.00 H new ATOM 1171 N LEU A 94 7.485 3.463 1.316 1.00 0.00 N ATOM 1172 CA LEU A 94 6.624 4.019 2.372 1.00 0.00 C ATOM 1173 C LEU A 94 7.419 4.693 3.503 1.00 0.00 C ATOM 1174 O LEU A 94 6.924 5.647 4.093 1.00 0.00 O ATOM 1175 CB LEU A 94 5.690 2.933 2.950 1.00 0.00 C ATOM 1176 CG LEU A 94 4.276 2.917 2.353 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.499 1.729 2.912 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.488 4.172 2.729 1.00 0.00 C ATOM 0 H LEU A 94 7.433 2.447 1.240 1.00 0.00 H new ATOM 0 HA LEU A 94 6.023 4.795 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.148 1.957 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.613 3.076 4.028 1.00 0.00 H new ATOM 0 HG LEU A 94 4.388 2.860 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.495 1.719 2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.013 0.803 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.433 1.815 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.493 4.123 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.401 4.236 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.008 5.054 2.354 1.00 0.00 H new ATOM 1190 N GLN A 95 8.649 4.257 3.799 1.00 0.00 N ATOM 1191 CA GLN A 95 9.455 4.840 4.887 1.00 0.00 C ATOM 1192 C GLN A 95 9.785 6.319 4.619 1.00 0.00 C ATOM 1193 O GLN A 95 9.814 7.144 5.537 1.00 0.00 O ATOM 1194 CB GLN A 95 10.739 4.016 5.103 1.00 0.00 C ATOM 1195 CG GLN A 95 11.244 4.142 6.551 1.00 0.00 C ATOM 1196 CD GLN A 95 12.469 3.267 6.819 1.00 0.00 C ATOM 1197 OE1 GLN A 95 13.505 3.379 6.175 1.00 0.00 O ATOM 1198 NE2 GLN A 95 12.419 2.375 7.788 1.00 0.00 N ATOM 0 H GLN A 95 9.113 3.498 3.299 1.00 0.00 H new ATOM 0 HA GLN A 95 8.862 4.803 5.801 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.545 2.968 4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.513 4.356 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.492 5.183 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.444 3.863 7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.566 2.265 8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.233 1.794 7.989 1.00 0.00 H new ATOM 1207 N LYS A 96 9.982 6.665 3.340 1.00 0.00 N ATOM 1208 CA LYS A 96 10.307 8.006 2.836 1.00 0.00 C ATOM 1209 C LYS A 96 9.205 9.042 3.105 1.00 0.00 C ATOM 1210 O LYS A 96 9.516 10.204 3.359 1.00 0.00 O ATOM 1211 CB LYS A 96 10.605 7.877 1.329 1.00 0.00 C ATOM 1212 CG LYS A 96 11.359 9.062 0.706 1.00 0.00 C ATOM 1213 CD LYS A 96 12.810 9.174 1.208 1.00 0.00 C ATOM 1214 CE LYS A 96 13.625 10.181 0.383 1.00 0.00 C ATOM 1215 NZ LYS A 96 13.987 9.647 -0.959 1.00 0.00 N ATOM 0 H LYS A 96 9.915 5.979 2.588 1.00 0.00 H new ATOM 0 HA LYS A 96 11.178 8.382 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.188 6.971 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.662 7.748 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.362 8.956 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.828 9.986 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.810 9.478 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.287 8.195 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.051 11.100 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.534 10.442 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.593 10.333 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.499 8.749 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.122 9.486 -1.514 1.00 0.00 H new ATOM 1229 N LEU A 97 7.934 8.622 3.107 1.00 0.00 N ATOM 1230 CA LEU A 97 6.769 9.439 3.445 1.00 0.00 C ATOM 1231 C LEU A 97 6.881 9.960 4.882 1.00 0.00 C ATOM 1232 O LEU A 97 6.878 11.172 5.098 1.00 0.00 O ATOM 1233 CB LEU A 97 5.512 8.580 3.214 1.00 0.00 C ATOM 1234 CG LEU A 97 4.208 9.143 3.779 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.846 10.535 3.272 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.077 8.184 3.434 1.00 0.00 C ATOM 0 H LEU A 97 7.682 7.664 2.863 1.00 0.00 H new ATOM 0 HA LEU A 97 6.708 10.324 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.388 8.433 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.681 7.597 3.653 1.00 0.00 H new ATOM 0 HG LEU A 97 4.355 9.242 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.907 10.854 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.636 11.237 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.736 10.510 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.138 8.571 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.001 8.086 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.281 7.208 3.873 1.00 0.00 H new ATOM 1248 N ILE A 98 7.029 9.052 5.856 1.00 0.00 N ATOM 1249 CA ILE A 98 7.215 9.444 7.261 1.00 0.00 C ATOM 1250 C ILE A 98 8.510 10.242 7.423 1.00 0.00 C ATOM 1251 O ILE A 98 8.498 11.255 8.106 1.00 0.00 O ATOM 1252 CB ILE A 98 7.196 8.245 8.234 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.026 7.273 7.973 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.063 8.745 9.678 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.503 6.010 7.264 1.00 0.00 C ATOM 0 H ILE A 98 7.024 8.044 5.699 1.00 0.00 H new ATOM 0 HA ILE A 98 6.364 10.071 7.525 1.00 0.00 H new ATOM 0 HB ILE A 98 8.134 7.713 8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.554 7.006 8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.267 7.768 7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.050 7.893 10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.908 9.389 9.919 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.136 9.308 9.784 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.656 5.346 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.952 6.277 6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.243 5.503 7.883 1.00 0.00 H new ATOM 1267 N ASN A 99 9.611 9.848 6.771 1.00 0.00 N ATOM 1268 CA ASN A 99 10.897 10.553 6.857 1.00 0.00 C ATOM 1269 C ASN A 99 10.818 12.048 6.457 1.00 0.00 C ATOM 1270 O ASN A 99 11.624 12.851 6.928 1.00 0.00 O ATOM 1271 CB ASN A 99 11.942 9.779 6.033 1.00 0.00 C ATOM 1272 CG ASN A 99 13.372 10.219 6.314 1.00 0.00 C ATOM 1273 OD1 ASN A 99 13.773 10.460 7.444 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.208 10.295 5.302 1.00 0.00 N ATOM 0 H ASN A 99 9.635 9.027 6.166 1.00 0.00 H new ATOM 0 HA ASN A 99 11.201 10.575 7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.848 8.714 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.730 9.912 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.182 10.553 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.883 10.096 4.356 1.00 0.00 H new ATOM 1281 N ASP A 100 9.849 12.444 5.622 1.00 0.00 N ATOM 1282 CA ASP A 100 9.608 13.848 5.255 1.00 0.00 C ATOM 1283 C ASP A 100 8.915 14.631 6.392 1.00 0.00 C ATOM 1284 O ASP A 100 9.399 15.685 6.812 1.00 0.00 O ATOM 1285 CB ASP A 100 8.781 13.914 3.963 1.00 0.00 C ATOM 1286 CG ASP A 100 8.600 15.365 3.487 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.597 15.983 3.040 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.464 15.891 3.551 1.00 0.00 O ATOM 0 H ASP A 100 9.203 11.793 5.177 1.00 0.00 H new ATOM 0 HA ASP A 100 10.574 14.323 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.274 13.332 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.804 13.460 4.131 1.00 0.00 H new ATOM 1293 N SER A 101 7.798 14.111 6.917 1.00 0.00 N ATOM 1294 CA SER A 101 6.974 14.693 7.995 1.00 0.00 C ATOM 1295 C SER A 101 7.320 14.170 9.404 1.00 0.00 C ATOM 1296 O SER A 101 6.532 14.303 10.338 1.00 0.00 O ATOM 1297 CB SER A 101 5.482 14.507 7.669 1.00 0.00 C ATOM 1298 OG SER A 101 5.180 13.157 7.356 1.00 0.00 O ATOM 0 H SER A 101 7.420 13.223 6.585 1.00 0.00 H new ATOM 0 HA SER A 101 7.207 15.757 8.030 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.881 14.827 8.520 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.210 15.145 6.828 1.00 0.00 H new ATOM 0 HG SER A 101 4.224 13.074 7.156 1.00 0.00 H new ATOM 1304 N VAL A 102 8.505 13.590 9.608 1.00 0.00 N ATOM 1305 CA VAL A 102 8.907 12.923 10.862 1.00 0.00 C ATOM 1306 C VAL A 102 8.878 13.845 12.084 1.00 0.00 C ATOM 1307 O VAL A 102 8.394 13.454 13.145 1.00 0.00 O ATOM 1308 CB VAL A 102 10.287 12.250 10.703 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.410 13.247 10.393 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.656 11.439 11.944 1.00 0.00 C ATOM 0 H VAL A 102 9.233 13.567 8.894 1.00 0.00 H new ATOM 0 HA VAL A 102 8.158 12.155 11.054 1.00 0.00 H new ATOM 0 HB VAL A 102 10.191 11.583 9.846 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.354 12.712 10.293 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.187 13.768 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.488 13.971 11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.633 10.978 11.800 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.690 12.097 12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.909 10.662 12.107 1.00 0.00 H new ATOM 1320 N PHE A 103 9.340 15.088 11.930 1.00 0.00 N ATOM 1321 CA PHE A 103 9.303 16.123 12.970 1.00 0.00 C ATOM 1322 C PHE A 103 7.910 16.755 13.135 1.00 0.00 C ATOM 1323 O PHE A 103 7.703 17.579 14.029 1.00 0.00 O ATOM 1324 CB PHE A 103 10.347 17.200 12.643 1.00 0.00 C ATOM 1325 CG PHE A 103 11.743 16.672 12.351 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.371 15.784 13.247 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.407 17.053 11.169 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.653 15.280 12.962 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.690 16.553 10.886 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.314 15.665 11.781 1.00 0.00 C ATOM 0 H PHE A 103 9.760 15.412 11.059 1.00 0.00 H new ATOM 0 HA PHE A 103 9.537 15.647 13.922 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.002 17.769 11.780 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.405 17.895 13.481 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.866 15.489 14.155 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.929 17.731 10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.130 14.597 13.650 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.197 16.851 9.980 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.299 15.279 11.562 1.00 0.00 H new ATOM 1340 N PHE A 104 6.955 16.374 12.280 1.00 0.00 N ATOM 1341 CA PHE A 104 5.564 16.848 12.322 1.00 0.00 C ATOM 1342 C PHE A 104 4.657 15.823 13.013 1.00 0.00 C ATOM 1343 O PHE A 104 3.870 16.179 13.895 1.00 0.00 O ATOM 1344 CB PHE A 104 5.085 17.196 10.900 1.00 0.00 C ATOM 1345 CG PHE A 104 3.582 17.191 10.727 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.823 18.337 11.024 1.00 0.00 C ATOM 1347 CD2 PHE A 104 2.939 16.010 10.310 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.422 18.294 10.917 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.543 15.966 10.199 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.790 17.106 10.515 1.00 0.00 C ATOM 0 H PHE A 104 7.129 15.713 11.523 1.00 0.00 H new ATOM 0 HA PHE A 104 5.512 17.759 12.919 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.466 18.182 10.633 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.521 16.485 10.199 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.315 19.247 11.333 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.525 15.134 10.075 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.834 19.171 11.143 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.051 15.062 9.873 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.287 17.070 10.449 1.00 0.00 H new ATOM 1360 N LEU A 105 4.778 14.547 12.636 1.00 0.00 N ATOM 1361 CA LEU A 105 4.042 13.436 13.232 1.00 0.00 C ATOM 1362 C LEU A 105 4.395 13.274 14.718 1.00 0.00 C ATOM 1363 O LEU A 105 5.569 13.297 15.099 1.00 0.00 O ATOM 1364 CB LEU A 105 4.353 12.162 12.429 1.00 0.00 C ATOM 1365 CG LEU A 105 3.851 12.221 10.974 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.362 11.010 10.216 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.328 12.268 10.889 1.00 0.00 C ATOM 0 H LEU A 105 5.407 14.254 11.889 1.00 0.00 H new ATOM 0 HA LEU A 105 2.971 13.634 13.190 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.430 11.996 12.428 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.899 11.306 12.928 1.00 0.00 H new ATOM 0 HG LEU A 105 4.233 13.140 10.530 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.008 11.050 9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.452 11.008 10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.994 10.101 10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.023 12.309 9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.910 11.375 11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.962 13.153 11.409 1.00 0.00 H new ATOM 1379 N ALA A 106 3.371 13.115 15.562 1.00 0.00 N ATOM 1380 CA ALA A 106 3.545 12.842 16.989 1.00 0.00 C ATOM 1381 C ALA A 106 4.322 11.530 17.202 1.00 0.00 C ATOM 1382 O ALA A 106 4.294 10.648 16.341 1.00 0.00 O ATOM 1383 CB ALA A 106 2.158 12.779 17.643 1.00 0.00 C ATOM 0 H ALA A 106 2.395 13.173 15.272 1.00 0.00 H new ATOM 0 HA ALA A 106 4.128 13.638 17.452 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.267 12.576 18.708 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.647 13.732 17.506 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.573 11.984 17.180 1.00 0.00 H new ATOM 1389 N ALA A 107 4.949 11.351 18.372 1.00 0.00 N ATOM 1390 CA ALA A 107 5.688 10.121 18.697 1.00 0.00 C ATOM 1391 C ALA A 107 4.807 8.860 18.541 1.00 0.00 C ATOM 1392 O ALA A 107 5.275 7.815 18.085 1.00 0.00 O ATOM 1393 CB ALA A 107 6.277 10.248 20.109 1.00 0.00 C ATOM 0 H ALA A 107 4.959 12.049 19.116 1.00 0.00 H new ATOM 0 HA ALA A 107 6.506 9.998 17.987 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.826 9.340 20.357 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.953 11.102 20.146 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.471 10.392 20.828 1.00 0.00 H new ATOM 1399 N TYR A 108 3.515 8.993 18.863 1.00 0.00 N ATOM 1400 CA TYR A 108 2.470 7.981 18.704 1.00 0.00 C ATOM 1401 C TYR A 108 2.303 7.577 17.227 1.00 0.00 C ATOM 1402 O TYR A 108 2.476 6.413 16.869 1.00 0.00 O ATOM 1403 CB TYR A 108 1.170 8.544 19.306 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.068 7.705 19.052 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.265 6.504 19.762 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.024 8.129 18.108 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.414 5.724 19.525 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.172 7.351 17.868 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.371 6.145 18.574 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.485 5.399 18.337 1.00 0.00 O ATOM 0 H TYR A 108 3.153 9.858 19.263 1.00 0.00 H new ATOM 0 HA TYR A 108 2.744 7.068 19.232 1.00 0.00 H new ATOM 0 HB2 TYR A 108 1.303 8.653 20.382 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.003 9.543 18.903 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.466 6.181 20.489 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.876 9.052 17.568 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.564 4.804 20.070 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.902 7.677 17.142 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.034 5.838 17.654 1.00 0.00 H new ATOM 1420 N ASP A 109 2.000 8.543 16.357 1.00 0.00 N ATOM 1421 CA ASP A 109 1.741 8.335 14.924 1.00 0.00 C ATOM 1422 C ASP A 109 2.991 7.863 14.161 1.00 0.00 C ATOM 1423 O ASP A 109 2.925 6.978 13.308 1.00 0.00 O ATOM 1424 CB ASP A 109 1.212 9.643 14.319 1.00 0.00 C ATOM 1425 CG ASP A 109 0.028 9.435 13.358 1.00 0.00 C ATOM 1426 OD1 ASP A 109 0.041 8.472 12.558 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.930 10.243 13.416 1.00 0.00 O ATOM 0 H ASP A 109 1.925 9.522 16.635 1.00 0.00 H new ATOM 0 HA ASP A 109 0.998 7.543 14.827 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.904 10.309 15.125 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.021 10.141 13.785 1.00 0.00 H new ATOM 1432 N LEU A 110 4.155 8.422 14.505 1.00 0.00 N ATOM 1433 CA LEU A 110 5.461 8.034 13.974 1.00 0.00 C ATOM 1434 C LEU A 110 5.718 6.537 14.221 1.00 0.00 C ATOM 1435 O LEU A 110 6.027 5.789 13.289 1.00 0.00 O ATOM 1436 CB LEU A 110 6.522 8.945 14.625 1.00 0.00 C ATOM 1437 CG LEU A 110 7.992 8.585 14.339 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.285 8.477 12.849 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.900 9.672 14.911 1.00 0.00 C ATOM 0 H LEU A 110 4.214 9.182 15.183 1.00 0.00 H new ATOM 0 HA LEU A 110 5.505 8.168 12.893 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.348 9.968 14.290 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.369 8.932 15.704 1.00 0.00 H new ATOM 0 HG LEU A 110 8.178 7.616 14.803 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.334 8.221 12.702 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.658 7.701 12.410 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.073 9.431 12.366 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.941 9.419 14.710 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.662 10.628 14.444 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.746 9.745 15.988 1.00 0.00 H new ATOM 1451 N ARG A 111 5.535 6.085 15.471 1.00 0.00 N ATOM 1452 CA ARG A 111 5.670 4.676 15.868 1.00 0.00 C ATOM 1453 C ARG A 111 4.650 3.756 15.195 1.00 0.00 C ATOM 1454 O ARG A 111 4.995 2.644 14.798 1.00 0.00 O ATOM 1455 CB ARG A 111 5.678 4.580 17.406 1.00 0.00 C ATOM 1456 CG ARG A 111 6.340 3.298 17.936 1.00 0.00 C ATOM 1457 CD ARG A 111 6.518 3.375 19.460 1.00 0.00 C ATOM 1458 NE ARG A 111 7.356 2.269 19.969 1.00 0.00 N ATOM 1459 CZ ARG A 111 7.563 1.932 21.231 1.00 0.00 C ATOM 1460 NH1 ARG A 111 6.977 2.545 22.222 1.00 0.00 N ATOM 1461 NH2 ARG A 111 8.379 0.960 21.529 1.00 0.00 N ATOM 0 H ARG A 111 5.285 6.699 16.247 1.00 0.00 H new ATOM 0 HA ARG A 111 6.626 4.302 15.502 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.201 5.445 17.814 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.652 4.627 17.771 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.729 2.433 17.679 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.309 3.157 17.457 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.974 4.329 19.725 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.541 3.343 19.943 1.00 0.00 H new ATOM 0 HE ARG A 111 7.829 1.700 19.266 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.333 3.314 22.037 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.163 2.255 23.182 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.862 0.454 20.787 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.534 0.705 22.504 1.00 0.00 H new ATOM 1475 N GLN A 112 3.436 4.257 14.987 1.00 0.00 N ATOM 1476 CA GLN A 112 2.351 3.569 14.262 1.00 0.00 C ATOM 1477 C GLN A 112 2.653 3.383 12.757 1.00 0.00 C ATOM 1478 O GLN A 112 2.318 2.340 12.196 1.00 0.00 O ATOM 1479 CB GLN A 112 1.019 4.319 14.450 1.00 0.00 C ATOM 1480 CG GLN A 112 0.358 4.104 15.826 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.409 2.783 15.956 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -1.007 2.266 15.020 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.468 2.202 17.137 1.00 0.00 N ATOM 0 H GLN A 112 3.163 5.180 15.325 1.00 0.00 H new ATOM 0 HA GLN A 112 2.272 2.571 14.693 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.193 5.385 14.306 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.324 4.002 13.673 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.128 4.141 16.596 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.327 4.929 16.020 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.021 2.613 17.932 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.003 1.342 17.256 1.00 0.00 H new ATOM 1492 N GLY A 113 3.310 4.347 12.096 1.00 0.00 N ATOM 1493 CA GLY A 113 3.704 4.242 10.686 1.00 0.00 C ATOM 1494 C GLY A 113 4.902 3.319 10.470 1.00 0.00 C ATOM 1495 O GLY A 113 4.856 2.434 9.615 1.00 0.00 O ATOM 0 H GLY A 113 3.585 5.228 12.530 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.859 3.874 10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.944 5.235 10.306 1.00 0.00 H new ATOM 1499 N GLN A 114 5.973 3.490 11.253 1.00 0.00 N ATOM 1500 CA GLN A 114 7.172 2.648 11.150 1.00 0.00 C ATOM 1501 C GLN A 114 6.884 1.155 11.399 1.00 0.00 C ATOM 1502 O GLN A 114 7.371 0.311 10.645 1.00 0.00 O ATOM 1503 CB GLN A 114 8.275 3.163 12.089 1.00 0.00 C ATOM 1504 CG GLN A 114 9.079 4.309 11.448 1.00 0.00 C ATOM 1505 CD GLN A 114 10.251 4.781 12.313 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.777 4.080 13.170 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.735 5.987 12.106 1.00 0.00 N ATOM 0 H GLN A 114 6.034 4.211 11.972 1.00 0.00 H new ATOM 0 HA GLN A 114 7.521 2.722 10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.828 3.509 13.021 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.948 2.344 12.343 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.459 3.981 10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.413 5.151 11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.316 6.590 11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.530 6.318 12.653 1.00 0.00 H new ATOM 1516 N GLU A 115 6.082 0.798 12.411 1.00 0.00 N ATOM 1517 CA GLU A 115 5.756 -0.611 12.692 1.00 0.00 C ATOM 1518 C GLU A 115 4.892 -1.284 11.614 1.00 0.00 C ATOM 1519 O GLU A 115 5.003 -2.484 11.362 1.00 0.00 O ATOM 1520 CB GLU A 115 5.136 -0.749 14.088 1.00 0.00 C ATOM 1521 CG GLU A 115 3.673 -0.295 14.189 1.00 0.00 C ATOM 1522 CD GLU A 115 3.100 -0.347 15.622 1.00 0.00 C ATOM 1523 OE1 GLU A 115 3.852 -0.532 16.612 1.00 0.00 O ATOM 1524 OE2 GLU A 115 1.860 -0.224 15.768 1.00 0.00 O ATOM 0 H GLU A 115 5.646 1.463 13.050 1.00 0.00 H new ATOM 0 HA GLU A 115 6.701 -1.154 12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.200 -1.792 14.398 1.00 0.00 H new ATOM 0 HB3 GLU A 115 5.731 -0.170 14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.592 0.725 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.062 -0.923 13.541 1.00 0.00 H new ATOM 1531 N ALA A 116 4.057 -0.499 10.939 1.00 0.00 N ATOM 1532 CA ALA A 116 3.221 -0.958 9.832 1.00 0.00 C ATOM 1533 C ALA A 116 4.047 -1.428 8.621 1.00 0.00 C ATOM 1534 O ALA A 116 3.663 -2.410 7.988 1.00 0.00 O ATOM 1535 CB ALA A 116 2.215 0.129 9.473 1.00 0.00 C ATOM 0 H ALA A 116 3.940 0.492 11.149 1.00 0.00 H new ATOM 0 HA ALA A 116 2.672 -1.842 10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.590 -0.212 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.587 0.344 10.338 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.747 1.033 9.177 1.00 0.00 H new ATOM 1541 N LEU A 117 5.192 -0.799 8.304 1.00 0.00 N ATOM 1542 CA LEU A 117 6.069 -1.285 7.219 1.00 0.00 C ATOM 1543 C LEU A 117 6.559 -2.718 7.504 1.00 0.00 C ATOM 1544 O LEU A 117 6.560 -3.577 6.619 1.00 0.00 O ATOM 1545 CB LEU A 117 7.306 -0.389 7.049 1.00 0.00 C ATOM 1546 CG LEU A 117 7.120 0.803 6.103 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.333 1.942 6.745 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.497 1.329 5.736 1.00 0.00 C ATOM 0 H LEU A 117 5.531 0.039 8.777 1.00 0.00 H new ATOM 0 HA LEU A 117 5.472 -1.265 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.601 -0.013 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.130 -1.000 6.681 1.00 0.00 H new ATOM 0 HG LEU A 117 6.561 0.459 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.230 2.760 6.032 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.344 1.584 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.862 2.296 7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.394 2.179 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.019 1.643 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.067 0.542 5.243 1.00 0.00 H new ATOM 1560 N ALA A 118 6.955 -2.979 8.754 1.00 0.00 N ATOM 1561 CA ALA A 118 7.425 -4.293 9.208 1.00 0.00 C ATOM 1562 C ALA A 118 6.329 -5.364 9.111 1.00 0.00 C ATOM 1563 O ALA A 118 6.608 -6.536 8.844 1.00 0.00 O ATOM 1564 CB ALA A 118 7.890 -4.188 10.660 1.00 0.00 C ATOM 0 H ALA A 118 6.958 -2.273 9.490 1.00 0.00 H new ATOM 0 HA ALA A 118 8.247 -4.593 8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.240 -5.162 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.703 -3.465 10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.059 -3.861 11.285 1.00 0.00 H new ATOM 1570 N ARG A 119 5.068 -4.957 9.294 1.00 0.00 N ATOM 1571 CA ARG A 119 3.903 -5.833 9.166 1.00 0.00 C ATOM 1572 C ARG A 119 3.798 -6.422 7.755 1.00 0.00 C ATOM 1573 O ARG A 119 3.543 -7.617 7.597 1.00 0.00 O ATOM 1574 CB ARG A 119 2.648 -5.050 9.581 1.00 0.00 C ATOM 1575 CG ARG A 119 1.466 -5.962 9.939 1.00 0.00 C ATOM 1576 CD ARG A 119 0.425 -5.226 10.799 1.00 0.00 C ATOM 1577 NE ARG A 119 0.949 -4.881 12.141 1.00 0.00 N ATOM 1578 CZ ARG A 119 1.150 -5.691 13.168 1.00 0.00 C ATOM 1579 NH1 ARG A 119 0.832 -6.955 13.129 1.00 0.00 N ATOM 1580 NH2 ARG A 119 1.684 -5.242 14.266 1.00 0.00 N ATOM 0 H ARG A 119 4.827 -3.996 9.538 1.00 0.00 H new ATOM 0 HA ARG A 119 4.009 -6.689 9.832 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.886 -4.419 10.437 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.355 -4.386 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.994 -6.323 9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.830 -6.837 10.477 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.113 -4.315 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.462 -5.851 10.907 1.00 0.00 H new ATOM 0 HE ARG A 119 1.183 -3.900 12.292 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.413 -7.350 12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 119 1.002 -7.549 13.941 1.00 0.00 H new ATOM 0 HH21 ARG A 119 1.951 -4.260 14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.836 -5.872 15.054 1.00 0.00 H new ATOM 1594 N LEU A 120 4.060 -5.597 6.735 1.00 0.00 N ATOM 1595 CA LEU A 120 4.112 -6.009 5.325 1.00 0.00 C ATOM 1596 C LEU A 120 5.344 -6.896 5.039 1.00 0.00 C ATOM 1597 O LEU A 120 5.231 -7.910 4.351 1.00 0.00 O ATOM 1598 CB LEU A 120 4.079 -4.782 4.388 1.00 0.00 C ATOM 1599 CG LEU A 120 3.082 -3.659 4.739 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.986 -2.655 3.593 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.658 -4.141 5.028 1.00 0.00 C ATOM 0 H LEU A 120 4.246 -4.603 6.868 1.00 0.00 H new ATOM 0 HA LEU A 120 3.224 -6.609 5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.079 -4.350 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.854 -5.131 3.380 1.00 0.00 H new ATOM 0 HG LEU A 120 3.482 -3.214 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.278 -1.869 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.967 -2.215 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.644 -3.164 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.025 -3.286 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.262 -4.653 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.671 -4.828 5.874 1.00 0.00 H new ATOM 1613 N GLN A 121 6.510 -6.557 5.612 1.00 0.00 N ATOM 1614 CA GLN A 121 7.749 -7.353 5.525 1.00 0.00 C ATOM 1615 C GLN A 121 7.584 -8.799 6.023 1.00 0.00 C ATOM 1616 O GLN A 121 8.105 -9.728 5.405 1.00 0.00 O ATOM 1617 CB GLN A 121 8.882 -6.680 6.328 1.00 0.00 C ATOM 1618 CG GLN A 121 9.682 -5.628 5.560 1.00 0.00 C ATOM 1619 CD GLN A 121 10.668 -6.211 4.540 1.00 0.00 C ATOM 1620 OE1 GLN A 121 10.380 -7.123 3.777 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.879 -5.700 4.471 1.00 0.00 N ATOM 0 H GLN A 121 6.622 -5.704 6.161 1.00 0.00 H new ATOM 0 HA GLN A 121 7.999 -7.395 4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.451 -6.212 7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.567 -7.452 6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.988 -4.967 5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.234 -5.015 6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 121 12.148 -4.939 5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.549 -6.065 3.794 1.00 0.00 H new ATOM 1630 N ALA A 122 6.866 -9.017 7.129 1.00 0.00 N ATOM 1631 CA ALA A 122 6.661 -10.365 7.663 1.00 0.00 C ATOM 1632 C ALA A 122 5.863 -11.258 6.695 1.00 0.00 C ATOM 1633 O ALA A 122 6.217 -12.421 6.481 1.00 0.00 O ATOM 1634 CB ALA A 122 5.990 -10.259 9.037 1.00 0.00 C ATOM 0 H ALA A 122 6.418 -8.278 7.671 1.00 0.00 H new ATOM 0 HA ALA A 122 7.630 -10.851 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.833 -11.258 9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.630 -9.690 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.030 -9.754 8.935 1.00 0.00 H new ATOM 1640 N ALA A 123 4.820 -10.702 6.068 1.00 0.00 N ATOM 1641 CA ALA A 123 4.038 -11.395 5.046 1.00 0.00 C ATOM 1642 C ALA A 123 4.904 -11.727 3.814 1.00 0.00 C ATOM 1643 O ALA A 123 4.763 -12.808 3.243 1.00 0.00 O ATOM 1644 CB ALA A 123 2.822 -10.536 4.691 1.00 0.00 C ATOM 0 H ALA A 123 4.496 -9.754 6.259 1.00 0.00 H new ATOM 0 HA ALA A 123 3.686 -12.351 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.229 -11.042 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.213 -10.382 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.157 -9.571 4.309 1.00 0.00 H new ATOM 1650 N LEU A 124 5.834 -10.838 3.441 1.00 0.00 N ATOM 1651 CA LEU A 124 6.813 -11.030 2.366 1.00 0.00 C ATOM 1652 C LEU A 124 7.670 -12.280 2.636 1.00 0.00 C ATOM 1653 O LEU A 124 7.739 -13.176 1.794 1.00 0.00 O ATOM 1654 CB LEU A 124 7.666 -9.748 2.242 1.00 0.00 C ATOM 1655 CG LEU A 124 8.285 -9.446 0.873 1.00 0.00 C ATOM 1656 CD1 LEU A 124 9.264 -10.509 0.381 1.00 0.00 C ATOM 1657 CD2 LEU A 124 7.217 -9.202 -0.186 1.00 0.00 C ATOM 0 H LEU A 124 5.928 -9.931 3.898 1.00 0.00 H new ATOM 0 HA LEU A 124 6.307 -11.201 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.043 -8.900 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.474 -9.808 2.972 1.00 0.00 H new ATOM 0 HG LEU A 124 8.862 -8.534 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.656 -10.219 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.087 -10.602 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.749 -11.466 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.695 -8.991 -1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.590 -10.088 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.601 -8.352 0.107 1.00 0.00 H new ATOM 1669 N ALA A 125 8.279 -12.369 3.826 1.00 0.00 N ATOM 1670 CA ALA A 125 9.088 -13.518 4.232 1.00 0.00 C ATOM 1671 C ALA A 125 8.292 -14.839 4.238 1.00 0.00 C ATOM 1672 O ALA A 125 8.740 -15.827 3.658 1.00 0.00 O ATOM 1673 CB ALA A 125 9.719 -13.221 5.598 1.00 0.00 C ATOM 0 H ALA A 125 8.222 -11.639 4.536 1.00 0.00 H new ATOM 0 HA ALA A 125 9.876 -13.665 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.325 -14.071 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.349 -12.335 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.932 -13.046 6.332 1.00 0.00 H new ATOM 1679 N GLU A 126 7.100 -14.866 4.846 1.00 0.00 N ATOM 1680 CA GLU A 126 6.210 -16.040 4.837 1.00 0.00 C ATOM 1681 C GLU A 126 5.808 -16.472 3.415 1.00 0.00 C ATOM 1682 O GLU A 126 5.884 -17.659 3.090 1.00 0.00 O ATOM 1683 CB GLU A 126 4.956 -15.763 5.685 1.00 0.00 C ATOM 1684 CG GLU A 126 5.183 -16.030 7.181 1.00 0.00 C ATOM 1685 CD GLU A 126 5.359 -17.532 7.494 1.00 0.00 C ATOM 1686 OE1 GLU A 126 4.461 -18.343 7.160 1.00 0.00 O ATOM 1687 OE2 GLU A 126 6.393 -17.909 8.096 1.00 0.00 O ATOM 0 H GLU A 126 6.721 -14.072 5.361 1.00 0.00 H new ATOM 0 HA GLU A 126 6.771 -16.867 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.651 -14.726 5.547 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.136 -16.387 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.068 -15.487 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.338 -15.641 7.749 1.00 0.00 H new ATOM 1694 N ARG A 127 5.432 -15.526 2.544 1.00 0.00 N ATOM 1695 CA ARG A 127 5.113 -15.780 1.128 1.00 0.00 C ATOM 1696 C ARG A 127 6.313 -16.363 0.368 1.00 0.00 C ATOM 1697 O ARG A 127 6.126 -17.274 -0.444 1.00 0.00 O ATOM 1698 CB ARG A 127 4.583 -14.477 0.499 1.00 0.00 C ATOM 1699 CG ARG A 127 4.075 -14.568 -0.952 1.00 0.00 C ATOM 1700 CD ARG A 127 2.721 -15.268 -1.121 1.00 0.00 C ATOM 1701 NE ARG A 127 2.820 -16.737 -1.009 1.00 0.00 N ATOM 1702 CZ ARG A 127 1.812 -17.582 -0.873 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.572 -17.183 -0.832 1.00 0.00 N ATOM 1704 NH2 ARG A 127 2.033 -18.861 -0.771 1.00 0.00 N ATOM 0 H ARG A 127 5.339 -14.545 2.806 1.00 0.00 H new ATOM 0 HA ARG A 127 4.334 -16.540 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 127 3.770 -14.104 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.379 -13.733 0.535 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.999 -13.560 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.818 -15.097 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.028 -14.896 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.302 -15.009 -2.093 1.00 0.00 H new ATOM 0 HE ARG A 127 3.757 -17.139 -1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.353 -16.189 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.180 -17.864 -0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.989 -19.217 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.251 -19.507 -0.666 1.00 0.00 H new ATOM 1718 N ARG A 128 7.539 -15.902 0.663 1.00 0.00 N ATOM 1719 CA ARG A 128 8.795 -16.405 0.070 1.00 0.00 C ATOM 1720 C ARG A 128 9.057 -17.886 0.359 1.00 0.00 C ATOM 1721 O ARG A 128 9.580 -18.562 -0.522 1.00 0.00 O ATOM 1722 CB ARG A 128 10.001 -15.537 0.496 1.00 0.00 C ATOM 1723 CG ARG A 128 11.149 -15.615 -0.533 1.00 0.00 C ATOM 1724 CD ARG A 128 12.136 -14.446 -0.400 1.00 0.00 C ATOM 1725 NE ARG A 128 13.081 -14.392 -1.539 1.00 0.00 N ATOM 1726 CZ ARG A 128 13.840 -13.369 -1.904 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.934 -12.286 -1.187 1.00 0.00 N ATOM 1728 NH2 ARG A 128 14.526 -13.403 -3.011 1.00 0.00 N ATOM 0 H ARG A 128 7.691 -15.151 1.336 1.00 0.00 H new ATOM 0 HA ARG A 128 8.669 -16.324 -1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.682 -14.501 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.362 -15.867 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.685 -16.555 -0.405 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.731 -15.621 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.583 -13.508 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.694 -14.546 0.531 1.00 0.00 H new ATOM 0 HE ARG A 128 13.156 -15.237 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.413 -12.206 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.528 -11.518 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.484 -14.226 -3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 128 15.105 -12.607 -3.277 1.00 0.00 H new