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=-0.25) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc=-0.00828 (180deg=-0.125) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 114 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.47) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.062 18.270 8.720 1.00 0.00 N ATOM 575 CA ASN A 56 -2.030 17.656 7.883 1.00 0.00 C ATOM 576 C ASN A 56 -1.751 16.184 8.255 1.00 0.00 C ATOM 577 O ASN A 56 -1.333 15.404 7.397 1.00 0.00 O ATOM 578 CB ASN A 56 -0.760 18.523 7.971 1.00 0.00 C ATOM 579 CG ASN A 56 -0.927 19.870 7.284 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.854 19.988 6.069 1.00 0.00 O ATOM 581 ND2 ASN A 56 -1.152 20.925 8.034 1.00 0.00 N ATOM 0 HA ASN A 56 -2.385 17.622 6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.504 18.682 9.019 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.074 17.988 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.266 21.842 7.603 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.213 20.827 9.047 1.00 0.00 H new ATOM 588 N SER A 57 -2.026 15.763 9.499 1.00 0.00 N ATOM 589 CA SER A 57 -1.883 14.356 9.922 1.00 0.00 C ATOM 590 C SER A 57 -2.890 13.447 9.206 1.00 0.00 C ATOM 591 O SER A 57 -2.563 12.318 8.835 1.00 0.00 O ATOM 592 CB SER A 57 -1.968 14.208 11.450 1.00 0.00 C ATOM 593 OG SER A 57 -3.294 14.287 11.951 1.00 0.00 O ATOM 0 H SER A 57 -2.353 16.383 10.240 1.00 0.00 H new ATOM 0 HA SER A 57 -0.886 14.030 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.534 13.251 11.740 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.364 14.986 11.917 1.00 0.00 H new ATOM 0 HG SER A 57 -3.282 14.184 12.926 1.00 0.00 H new ATOM 599 N HIS A 58 -4.094 13.961 8.920 1.00 0.00 N ATOM 600 CA HIS A 58 -5.124 13.250 8.150 1.00 0.00 C ATOM 601 C HIS A 58 -4.628 12.915 6.736 1.00 0.00 C ATOM 602 O HIS A 58 -4.828 11.794 6.269 1.00 0.00 O ATOM 603 CB HIS A 58 -6.412 14.088 8.114 1.00 0.00 C ATOM 604 CG HIS A 58 -7.458 13.495 7.200 1.00 0.00 C ATOM 605 ND1 HIS A 58 -7.806 13.974 5.948 1.00 0.00 N ATOM 606 CD2 HIS A 58 -8.148 12.337 7.423 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.697 13.112 5.417 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.924 12.112 6.297 1.00 0.00 N ATOM 0 H HIS A 58 -4.383 14.892 9.220 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.342 12.302 8.642 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.818 14.169 9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.175 15.099 7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.098 11.717 8.306 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.156 13.206 4.444 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.558 11.326 6.156 1.00 0.00 H new ATOM 617 N PHE A 59 -3.943 13.858 6.075 1.00 0.00 N ATOM 618 CA PHE A 59 -3.336 13.643 4.754 1.00 0.00 C ATOM 619 C PHE A 59 -2.356 12.465 4.773 1.00 0.00 C ATOM 620 O PHE A 59 -2.451 11.579 3.925 1.00 0.00 O ATOM 621 CB PHE A 59 -2.640 14.919 4.252 1.00 0.00 C ATOM 622 CG PHE A 59 -2.279 14.869 2.774 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.195 14.088 2.321 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.054 15.585 1.839 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.911 13.999 0.946 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.756 15.510 0.467 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.692 14.709 0.018 1.00 0.00 C ATOM 0 H PHE A 59 -3.793 14.797 6.444 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.141 13.397 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.292 15.774 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.733 15.083 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.581 13.556 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.880 16.193 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.092 13.384 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.346 16.069 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.475 14.639 -1.038 1.00 0.00 H new ATOM 637 N PHE A 60 -1.443 12.429 5.753 1.00 0.00 N ATOM 638 CA PHE A 60 -0.507 11.319 5.941 1.00 0.00 C ATOM 639 C PHE A 60 -1.239 9.983 6.071 1.00 0.00 C ATOM 640 O PHE A 60 -0.961 9.063 5.307 1.00 0.00 O ATOM 641 CB PHE A 60 0.370 11.550 7.176 1.00 0.00 C ATOM 642 CG PHE A 60 1.167 10.319 7.576 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.057 9.741 6.655 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.949 9.689 8.820 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.707 8.538 6.968 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.622 8.495 9.140 1.00 0.00 C ATOM 647 CZ PHE A 60 2.497 7.916 8.205 1.00 0.00 C ATOM 0 H PHE A 60 -1.335 13.175 6.440 1.00 0.00 H new ATOM 0 HA PHE A 60 0.127 11.278 5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.057 12.373 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.261 11.855 8.011 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.241 10.223 5.706 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.262 10.125 9.530 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.375 8.088 6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.467 8.026 10.100 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.006 6.993 8.440 1.00 0.00 H new ATOM 657 N VAL A 61 -2.193 9.877 7.001 1.00 0.00 N ATOM 658 CA VAL A 61 -2.981 8.653 7.217 1.00 0.00 C ATOM 659 C VAL A 61 -3.655 8.191 5.918 1.00 0.00 C ATOM 660 O VAL A 61 -3.630 7.002 5.611 1.00 0.00 O ATOM 661 CB VAL A 61 -4.010 8.862 8.347 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.894 7.624 8.544 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.332 9.163 9.693 1.00 0.00 C ATOM 0 H VAL A 61 -2.444 10.640 7.630 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.301 7.860 7.527 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.616 9.713 8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.606 7.810 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.435 7.413 7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.270 6.769 8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.093 9.303 10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.687 8.329 9.970 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.734 10.070 9.605 1.00 0.00 H new ATOM 673 N ALA A 62 -4.192 9.118 5.118 1.00 0.00 N ATOM 674 CA ALA A 62 -4.794 8.825 3.810 1.00 0.00 C ATOM 675 C ALA A 62 -3.780 8.282 2.781 1.00 0.00 C ATOM 676 O ALA A 62 -3.983 7.197 2.227 1.00 0.00 O ATOM 677 CB ALA A 62 -5.520 10.077 3.297 1.00 0.00 C ATOM 0 H ALA A 62 -4.222 10.108 5.363 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.516 8.019 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.969 9.865 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.300 10.360 4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.807 10.895 3.196 1.00 0.00 H new ATOM 683 N THR A 63 -2.688 9.009 2.509 1.00 0.00 N ATOM 684 CA THR A 63 -1.652 8.570 1.554 1.00 0.00 C ATOM 685 C THR A 63 -0.979 7.259 1.996 1.00 0.00 C ATOM 686 O THR A 63 -0.803 6.340 1.192 1.00 0.00 O ATOM 687 CB THR A 63 -0.648 9.700 1.249 1.00 0.00 C ATOM 688 OG1 THR A 63 0.170 9.335 0.160 1.00 0.00 O ATOM 689 CG2 THR A 63 0.267 10.101 2.392 1.00 0.00 C ATOM 0 H THR A 63 -2.495 9.913 2.940 1.00 0.00 H new ATOM 0 HA THR A 63 -2.147 8.342 0.610 1.00 0.00 H new ATOM 0 HB THR A 63 -1.279 10.563 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.804 10.058 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.929 10.902 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.333 10.447 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.862 9.242 2.700 1.00 0.00 H new ATOM 697 N PHE A 64 -0.698 7.109 3.298 1.00 0.00 N ATOM 698 CA PHE A 64 -0.157 5.896 3.908 1.00 0.00 C ATOM 699 C PHE A 64 -1.129 4.712 3.762 1.00 0.00 C ATOM 700 O PHE A 64 -0.702 3.628 3.377 1.00 0.00 O ATOM 701 CB PHE A 64 0.189 6.192 5.379 1.00 0.00 C ATOM 702 CG PHE A 64 0.963 5.085 6.059 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.271 4.001 6.627 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.371 5.116 6.095 1.00 0.00 C ATOM 705 CE1 PHE A 64 0.983 2.913 7.158 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.079 4.018 6.611 1.00 0.00 C ATOM 707 CZ PHE A 64 2.384 2.909 7.110 1.00 0.00 C ATOM 0 H PHE A 64 -0.848 7.857 3.975 1.00 0.00 H new ATOM 0 HA PHE A 64 0.754 5.600 3.388 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.771 7.112 5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.734 6.369 5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.809 4.005 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.904 5.980 5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.453 2.083 7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.159 4.029 6.623 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.931 2.046 7.460 1.00 0.00 H new ATOM 717 N ALA A 65 -2.436 4.904 3.995 1.00 0.00 N ATOM 718 CA ALA A 65 -3.471 3.882 3.797 1.00 0.00 C ATOM 719 C ALA A 65 -3.537 3.351 2.352 1.00 0.00 C ATOM 720 O ALA A 65 -3.573 2.137 2.139 1.00 0.00 O ATOM 721 CB ALA A 65 -4.832 4.429 4.236 1.00 0.00 C ATOM 0 H ALA A 65 -2.809 5.791 4.333 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.198 3.029 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.596 3.666 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.792 4.701 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.078 5.310 3.643 1.00 0.00 H new ATOM 727 N ARG A 66 -3.528 4.241 1.348 1.00 0.00 N ATOM 728 CA ARG A 66 -3.485 3.846 -0.072 1.00 0.00 C ATOM 729 C ARG A 66 -2.226 3.049 -0.420 1.00 0.00 C ATOM 730 O ARG A 66 -2.322 2.026 -1.096 1.00 0.00 O ATOM 731 CB ARG A 66 -3.634 5.082 -0.982 1.00 0.00 C ATOM 732 CG ARG A 66 -5.102 5.463 -1.246 1.00 0.00 C ATOM 733 CD ARG A 66 -5.797 4.442 -2.162 1.00 0.00 C ATOM 734 NE ARG A 66 -7.136 4.899 -2.586 1.00 0.00 N ATOM 735 CZ ARG A 66 -8.045 4.194 -3.237 1.00 0.00 C ATOM 736 NH1 ARG A 66 -7.861 2.942 -3.552 1.00 0.00 N ATOM 737 NH2 ARG A 66 -9.173 4.739 -3.593 1.00 0.00 N ATOM 0 H ARG A 66 -3.550 5.250 1.494 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.330 3.181 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.122 5.928 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.138 4.888 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.638 5.526 -0.299 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.145 6.451 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.179 4.265 -3.042 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.888 3.490 -1.640 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.386 5.860 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.992 2.474 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.586 2.431 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.360 5.717 -3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.869 4.188 -4.095 1.00 0.00 H new ATOM 751 N GLU A 67 -1.060 3.479 0.056 1.00 0.00 N ATOM 752 CA GLU A 67 0.207 2.787 -0.183 1.00 0.00 C ATOM 753 C GLU A 67 0.277 1.430 0.534 1.00 0.00 C ATOM 754 O GLU A 67 0.528 0.417 -0.119 1.00 0.00 O ATOM 755 CB GLU A 67 1.374 3.683 0.242 1.00 0.00 C ATOM 756 CG GLU A 67 1.739 4.776 -0.775 1.00 0.00 C ATOM 757 CD GLU A 67 2.218 4.221 -2.135 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.950 3.203 -2.171 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.873 4.815 -3.185 1.00 0.00 O ATOM 0 H GLU A 67 -0.966 4.322 0.622 1.00 0.00 H new ATOM 0 HA GLU A 67 0.276 2.581 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.125 4.156 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.250 3.059 0.416 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.870 5.414 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.522 5.406 -0.353 1.00 0.00 H new ATOM 766 N ARG A 68 0.028 1.373 1.853 1.00 0.00 N ATOM 767 CA ARG A 68 0.117 0.142 2.665 1.00 0.00 C ATOM 768 C ARG A 68 -0.749 -0.977 2.081 1.00 0.00 C ATOM 769 O ARG A 68 -0.297 -2.111 1.949 1.00 0.00 O ATOM 770 CB ARG A 68 -0.165 0.446 4.162 1.00 0.00 C ATOM 771 CG ARG A 68 -1.653 0.560 4.524 1.00 0.00 C ATOM 772 CD ARG A 68 -1.919 0.924 5.987 1.00 0.00 C ATOM 773 NE ARG A 68 -1.737 -0.225 6.896 1.00 0.00 N ATOM 774 CZ ARG A 68 -2.255 -0.363 8.105 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.917 0.596 8.691 1.00 0.00 N ATOM 776 NH2 ARG A 68 -2.125 -1.483 8.757 1.00 0.00 N ATOM 0 H ARG A 68 -0.245 2.192 2.396 1.00 0.00 H new ATOM 0 HA ARG A 68 1.139 -0.235 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.284 -0.340 4.769 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.333 1.378 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.114 1.313 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.142 -0.388 4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.248 1.730 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.936 1.303 6.085 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.153 -0.990 6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.049 1.489 8.216 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.302 0.453 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.620 -2.263 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.528 -1.580 9.689 1.00 0.00 H new ATOM 790 N ALA A 69 -1.970 -0.639 1.661 1.00 0.00 N ATOM 791 CA ALA A 69 -2.903 -1.568 1.031 1.00 0.00 C ATOM 792 C ALA A 69 -2.414 -2.049 -0.348 1.00 0.00 C ATOM 793 O ALA A 69 -2.508 -3.241 -0.646 1.00 0.00 O ATOM 794 CB ALA A 69 -4.271 -0.877 0.933 1.00 0.00 C ATOM 0 H ALA A 69 -2.342 0.306 1.752 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.980 -2.467 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.987 -1.552 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.619 -0.615 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.179 0.028 0.332 1.00 0.00 H new ATOM 800 N ALA A 70 -1.857 -1.155 -1.175 1.00 0.00 N ATOM 801 CA ALA A 70 -1.260 -1.514 -2.464 1.00 0.00 C ATOM 802 C ALA A 70 -0.085 -2.493 -2.295 1.00 0.00 C ATOM 803 O ALA A 70 -0.002 -3.485 -3.027 1.00 0.00 O ATOM 804 CB ALA A 70 -0.842 -0.238 -3.206 1.00 0.00 C ATOM 0 H ALA A 70 -1.809 -0.158 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.005 -2.036 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.398 -0.504 -4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.718 0.389 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.113 0.309 -2.608 1.00 0.00 H new ATOM 810 N VAL A 71 0.803 -2.258 -1.315 1.00 0.00 N ATOM 811 CA VAL A 71 1.901 -3.189 -1.001 1.00 0.00 C ATOM 812 C VAL A 71 1.349 -4.530 -0.502 1.00 0.00 C ATOM 813 O VAL A 71 1.806 -5.576 -0.955 1.00 0.00 O ATOM 814 CB VAL A 71 2.918 -2.627 0.016 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.160 -3.533 0.039 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.340 -1.174 -0.256 1.00 0.00 C ATOM 0 H VAL A 71 0.782 -1.427 -0.724 1.00 0.00 H new ATOM 0 HA VAL A 71 2.442 -3.336 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 71 2.418 -2.617 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.883 -3.142 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.869 -4.542 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.610 -3.558 -0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.055 -0.855 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.802 -1.108 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.463 -0.528 -0.222 1.00 0.00 H new ATOM 826 N GLU A 72 0.341 -4.526 0.378 1.00 0.00 N ATOM 827 CA GLU A 72 -0.300 -5.754 0.876 1.00 0.00 C ATOM 828 C GLU A 72 -0.884 -6.612 -0.260 1.00 0.00 C ATOM 829 O GLU A 72 -0.673 -7.825 -0.306 1.00 0.00 O ATOM 830 CB GLU A 72 -1.409 -5.437 1.896 1.00 0.00 C ATOM 831 CG GLU A 72 -1.538 -6.552 2.948 1.00 0.00 C ATOM 832 CD GLU A 72 -2.949 -6.615 3.565 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.441 -5.585 4.087 1.00 0.00 O ATOM 834 OE2 GLU A 72 -3.568 -7.707 3.556 1.00 0.00 O ATOM 0 H GLU A 72 -0.056 -3.671 0.767 1.00 0.00 H new ATOM 0 HA GLU A 72 0.487 -6.326 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.191 -4.491 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.359 -5.313 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.302 -7.512 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.805 -6.389 3.738 1.00 0.00 H new ATOM 841 N GLU A 73 -1.603 -5.989 -1.199 1.00 0.00 N ATOM 842 CA GLU A 73 -2.220 -6.677 -2.337 1.00 0.00 C ATOM 843 C GLU A 73 -1.179 -7.353 -3.243 1.00 0.00 C ATOM 844 O GLU A 73 -1.402 -8.471 -3.712 1.00 0.00 O ATOM 845 CB GLU A 73 -3.084 -5.692 -3.143 1.00 0.00 C ATOM 846 CG GLU A 73 -4.063 -6.427 -4.070 1.00 0.00 C ATOM 847 CD GLU A 73 -4.752 -5.452 -5.043 1.00 0.00 C ATOM 848 OE1 GLU A 73 -4.190 -5.188 -6.134 1.00 0.00 O ATOM 849 OE2 GLU A 73 -5.862 -4.957 -4.731 1.00 0.00 O ATOM 0 H GLU A 73 -1.775 -4.984 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.854 -7.469 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.641 -5.052 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.440 -5.042 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.528 -7.191 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.816 -6.941 -3.473 1.00 0.00 H new ATOM 856 N LEU A 74 -0.020 -6.717 -3.452 1.00 0.00 N ATOM 857 CA LEU A 74 1.073 -7.257 -4.267 1.00 0.00 C ATOM 858 C LEU A 74 1.641 -8.571 -3.698 1.00 0.00 C ATOM 859 O LEU A 74 2.083 -9.428 -4.460 1.00 0.00 O ATOM 860 CB LEU A 74 2.145 -6.162 -4.403 1.00 0.00 C ATOM 861 CG LEU A 74 3.356 -6.507 -5.288 1.00 0.00 C ATOM 862 CD1 LEU A 74 2.981 -6.922 -6.711 1.00 0.00 C ATOM 863 CD2 LEU A 74 4.226 -5.258 -5.405 1.00 0.00 C ATOM 0 H LEU A 74 0.187 -5.801 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 74 0.695 -7.525 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.671 -5.266 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.508 -5.912 -3.406 1.00 0.00 H new ATOM 0 HG LEU A 74 3.861 -7.349 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.886 -7.150 -7.274 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.343 -7.805 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.446 -6.107 -7.198 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.093 -5.476 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.647 -4.452 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.560 -4.953 -4.413 1.00 0.00 H new ATOM 875 N LEU A 75 1.589 -8.751 -2.374 1.00 0.00 N ATOM 876 CA LEU A 75 2.008 -9.970 -1.672 1.00 0.00 C ATOM 877 C LEU A 75 1.000 -11.113 -1.884 1.00 0.00 C ATOM 878 O LEU A 75 1.397 -12.242 -2.164 1.00 0.00 O ATOM 879 CB LEU A 75 2.189 -9.672 -0.169 1.00 0.00 C ATOM 880 CG LEU A 75 3.163 -8.512 0.137 1.00 0.00 C ATOM 881 CD1 LEU A 75 2.908 -7.874 1.503 1.00 0.00 C ATOM 882 CD2 LEU A 75 4.617 -8.977 0.089 1.00 0.00 C ATOM 0 H LEU A 75 1.243 -8.030 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 75 2.962 -10.295 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.216 -9.437 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.549 -10.573 0.327 1.00 0.00 H new ATOM 0 HG LEU A 75 2.982 -7.767 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.621 -7.065 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.894 -7.476 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.028 -8.625 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.275 -8.136 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.772 -9.763 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.843 -9.364 -0.905 1.00 0.00 H new ATOM 894 N GLU A 76 -0.308 -10.838 -1.789 1.00 0.00 N ATOM 895 CA GLU A 76 -1.364 -11.820 -2.069 1.00 0.00 C ATOM 896 C GLU A 76 -1.426 -12.209 -3.557 1.00 0.00 C ATOM 897 O GLU A 76 -1.654 -13.378 -3.878 1.00 0.00 O ATOM 898 CB GLU A 76 -2.729 -11.273 -1.615 1.00 0.00 C ATOM 899 CG GLU A 76 -3.066 -11.659 -0.167 1.00 0.00 C ATOM 900 CD GLU A 76 -4.587 -11.590 0.081 1.00 0.00 C ATOM 901 OE1 GLU A 76 -5.120 -10.491 0.367 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.266 -12.644 -0.010 1.00 0.00 O ATOM 0 H GLU A 76 -0.665 -9.923 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.120 -12.721 -1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.730 -10.187 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.507 -11.651 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.705 -12.667 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.550 -10.990 0.522 1.00 0.00 H new ATOM 909 N ARG A 77 -1.192 -11.253 -4.467 1.00 0.00 N ATOM 910 CA ARG A 77 -1.136 -11.463 -5.927 1.00 0.00 C ATOM 911 C ARG A 77 0.228 -11.967 -6.437 1.00 0.00 C ATOM 912 O ARG A 77 0.393 -12.149 -7.645 1.00 0.00 O ATOM 913 CB ARG A 77 -1.609 -10.185 -6.654 1.00 0.00 C ATOM 914 CG ARG A 77 -3.113 -9.939 -6.427 1.00 0.00 C ATOM 915 CD ARG A 77 -3.658 -8.807 -7.310 1.00 0.00 C ATOM 916 NE ARG A 77 -5.136 -8.783 -7.294 1.00 0.00 N ATOM 917 CZ ARG A 77 -5.931 -7.985 -7.987 1.00 0.00 C ATOM 918 NH1 ARG A 77 -5.471 -6.991 -8.692 1.00 0.00 N ATOM 919 NH2 ARG A 77 -7.219 -8.177 -7.992 1.00 0.00 N ATOM 0 H ARG A 77 -1.031 -10.281 -4.203 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.821 -12.277 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.039 -9.328 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.410 -10.276 -7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.664 -10.856 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.285 -9.694 -5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.272 -7.850 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.305 -8.937 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.594 -9.457 -6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.468 -6.808 -8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.114 -6.396 -9.214 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.622 -8.948 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.825 -7.557 -8.529 1.00 0.00 H new ATOM 933 N ALA A 78 1.204 -12.216 -5.559 1.00 0.00 N ATOM 934 CA ALA A 78 2.499 -12.797 -5.924 1.00 0.00 C ATOM 935 C ALA A 78 2.369 -14.275 -6.351 1.00 0.00 C ATOM 936 O ALA A 78 1.864 -15.113 -5.601 1.00 0.00 O ATOM 937 CB ALA A 78 3.491 -12.645 -4.764 1.00 0.00 C ATOM 0 H ALA A 78 1.116 -12.017 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 78 2.879 -12.250 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.450 -13.080 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.625 -11.588 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.104 -13.159 -3.884 1.00 0.00 H new ATOM 943 N GLU A 79 2.860 -14.602 -7.551 1.00 0.00 N ATOM 944 CA GLU A 79 2.877 -15.963 -8.125 1.00 0.00 C ATOM 945 C GLU A 79 4.303 -16.506 -8.346 1.00 0.00 C ATOM 946 O GLU A 79 4.496 -17.716 -8.489 1.00 0.00 O ATOM 947 CB GLU A 79 2.126 -15.964 -9.467 1.00 0.00 C ATOM 948 CG GLU A 79 0.634 -15.633 -9.340 1.00 0.00 C ATOM 949 CD GLU A 79 -0.028 -15.592 -10.731 1.00 0.00 C ATOM 950 OE1 GLU A 79 -0.406 -16.666 -11.261 1.00 0.00 O ATOM 951 OE2 GLU A 79 -0.176 -14.487 -11.309 1.00 0.00 O ATOM 0 H GLU A 79 3.271 -13.908 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 79 2.388 -16.617 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.594 -15.241 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.233 -16.944 -9.932 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.141 -16.380 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.510 -14.671 -8.843 1.00 0.00 H new ATOM 958 N SER A 80 5.306 -15.622 -8.361 1.00 0.00 N ATOM 959 CA SER A 80 6.730 -15.920 -8.540 1.00 0.00 C ATOM 960 C SER A 80 7.610 -14.956 -7.732 1.00 0.00 C ATOM 961 O SER A 80 7.134 -13.953 -7.188 1.00 0.00 O ATOM 962 CB SER A 80 7.100 -15.849 -10.029 1.00 0.00 C ATOM 963 OG SER A 80 7.026 -14.510 -10.492 1.00 0.00 O ATOM 0 H SER A 80 5.136 -14.623 -8.242 1.00 0.00 H new ATOM 0 HA SER A 80 6.911 -16.929 -8.171 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.107 -16.238 -10.179 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.425 -16.479 -10.609 1.00 0.00 H new ATOM 0 HG SER A 80 7.266 -14.479 -11.442 1.00 0.00 H new ATOM 969 N VAL A 81 8.918 -15.231 -7.688 1.00 0.00 N ATOM 970 CA VAL A 81 9.937 -14.391 -7.026 1.00 0.00 C ATOM 971 C VAL A 81 10.022 -12.982 -7.655 1.00 0.00 C ATOM 972 O VAL A 81 10.410 -12.024 -6.988 1.00 0.00 O ATOM 973 CB VAL A 81 11.316 -15.093 -7.057 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.369 -14.339 -6.235 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.285 -16.523 -6.487 1.00 0.00 C ATOM 0 H VAL A 81 9.314 -16.065 -8.122 1.00 0.00 H new ATOM 0 HA VAL A 81 9.633 -14.260 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 81 11.573 -15.112 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.320 -14.870 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.492 -13.333 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.044 -14.277 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.284 -16.957 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.955 -16.494 -5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.594 -17.132 -7.070 1.00 0.00 H new ATOM 985 N GLU A 82 9.603 -12.814 -8.916 1.00 0.00 N ATOM 986 CA GLU A 82 9.581 -11.524 -9.626 1.00 0.00 C ATOM 987 C GLU A 82 8.668 -10.495 -8.932 1.00 0.00 C ATOM 988 O GLU A 82 9.113 -9.397 -8.583 1.00 0.00 O ATOM 989 CB GLU A 82 9.143 -11.718 -11.090 1.00 0.00 C ATOM 990 CG GLU A 82 10.079 -12.638 -11.889 1.00 0.00 C ATOM 991 CD GLU A 82 9.618 -12.778 -13.354 1.00 0.00 C ATOM 992 OE1 GLU A 82 9.712 -11.790 -14.123 1.00 0.00 O ATOM 993 OE2 GLU A 82 9.182 -13.883 -13.762 1.00 0.00 O ATOM 0 H GLU A 82 9.262 -13.588 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 82 10.597 -11.130 -9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.135 -12.133 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.096 -10.745 -11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.093 -12.239 -11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.111 -13.622 -11.421 1.00 0.00 H new ATOM 1000 N ARG A 83 7.397 -10.856 -8.690 1.00 0.00 N ATOM 1001 CA ARG A 83 6.428 -10.021 -7.949 1.00 0.00 C ATOM 1002 C ARG A 83 6.789 -9.889 -6.466 1.00 0.00 C ATOM 1003 O ARG A 83 6.485 -8.870 -5.846 1.00 0.00 O ATOM 1004 CB ARG A 83 5.006 -10.586 -8.099 1.00 0.00 C ATOM 1005 CG ARG A 83 4.485 -10.473 -9.540 1.00 0.00 C ATOM 1006 CD ARG A 83 3.031 -10.957 -9.643 1.00 0.00 C ATOM 1007 NE ARG A 83 2.495 -10.807 -11.011 1.00 0.00 N ATOM 1008 CZ ARG A 83 2.687 -11.592 -12.059 1.00 0.00 C ATOM 1009 NH1 ARG A 83 3.450 -12.649 -12.012 1.00 0.00 N ATOM 1010 NH2 ARG A 83 2.117 -11.321 -13.196 1.00 0.00 N ATOM 0 H ARG A 83 7.006 -11.744 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 83 6.468 -9.023 -8.385 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.998 -11.632 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.332 -10.053 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.551 -9.437 -9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.116 -11.063 -10.205 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.975 -12.004 -9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.411 -10.393 -8.946 1.00 0.00 H new ATOM 0 HE ARG A 83 1.900 -9.993 -11.168 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.925 -12.897 -11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.571 -13.228 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.518 -10.500 -13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.269 -11.930 -14.000 1.00 0.00 H new ATOM 1024 N LEU A 84 7.468 -10.894 -5.910 1.00 0.00 N ATOM 1025 CA LEU A 84 7.973 -10.890 -4.538 1.00 0.00 C ATOM 1026 C LEU A 84 9.000 -9.764 -4.315 1.00 0.00 C ATOM 1027 O LEU A 84 8.794 -8.902 -3.466 1.00 0.00 O ATOM 1028 CB LEU A 84 8.552 -12.279 -4.216 1.00 0.00 C ATOM 1029 CG LEU A 84 8.711 -12.524 -2.712 1.00 0.00 C ATOM 1030 CD1 LEU A 84 7.359 -12.827 -2.069 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.641 -13.707 -2.469 1.00 0.00 C ATOM 0 H LEU A 84 7.687 -11.753 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 84 7.152 -10.685 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.901 -13.045 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.523 -12.384 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 84 9.131 -11.622 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.494 -12.998 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.687 -11.982 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.930 -13.718 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.747 -13.872 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.223 -14.600 -2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.619 -13.496 -2.902 1.00 0.00 H new ATOM 1043 N GLU A 85 10.087 -9.733 -5.091 1.00 0.00 N ATOM 1044 CA GLU A 85 11.103 -8.670 -4.991 1.00 0.00 C ATOM 1045 C GLU A 85 10.523 -7.268 -5.251 1.00 0.00 C ATOM 1046 O GLU A 85 10.947 -6.299 -4.620 1.00 0.00 O ATOM 1047 CB GLU A 85 12.281 -8.935 -5.942 1.00 0.00 C ATOM 1048 CG GLU A 85 13.176 -10.089 -5.463 1.00 0.00 C ATOM 1049 CD GLU A 85 14.492 -10.230 -6.263 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.708 -9.519 -7.278 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.346 -11.061 -5.868 1.00 0.00 O ATOM 0 H GLU A 85 10.291 -10.435 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 85 11.463 -8.691 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.897 -9.166 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.880 -8.029 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.416 -9.938 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.618 -11.023 -5.532 1.00 0.00 H new ATOM 1058 N GLU A 86 9.517 -7.146 -6.125 1.00 0.00 N ATOM 1059 CA GLU A 86 8.810 -5.883 -6.378 1.00 0.00 C ATOM 1060 C GLU A 86 8.120 -5.336 -5.112 1.00 0.00 C ATOM 1061 O GLU A 86 8.179 -4.135 -4.844 1.00 0.00 O ATOM 1062 CB GLU A 86 7.796 -6.080 -7.517 1.00 0.00 C ATOM 1063 CG GLU A 86 7.296 -4.739 -8.078 1.00 0.00 C ATOM 1064 CD GLU A 86 6.231 -4.884 -9.187 1.00 0.00 C ATOM 1065 OE1 GLU A 86 5.922 -6.015 -9.638 1.00 0.00 O ATOM 1066 OE2 GLU A 86 5.693 -3.838 -9.629 1.00 0.00 O ATOM 0 H GLU A 86 9.167 -7.926 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 86 9.547 -5.137 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.257 -6.659 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.948 -6.660 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.879 -4.148 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.145 -4.182 -8.474 1.00 0.00 H new ATOM 1073 N ALA A 87 7.515 -6.204 -4.292 1.00 0.00 N ATOM 1074 CA ALA A 87 6.886 -5.823 -3.025 1.00 0.00 C ATOM 1075 C ALA A 87 7.864 -5.133 -2.051 1.00 0.00 C ATOM 1076 O ALA A 87 7.477 -4.202 -1.341 1.00 0.00 O ATOM 1077 CB ALA A 87 6.197 -7.047 -2.402 1.00 0.00 C ATOM 0 H ALA A 87 7.449 -7.202 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 87 6.127 -5.070 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.730 -6.761 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.435 -7.423 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.936 -7.827 -2.219 1.00 0.00 H new ATOM 1083 N ALA A 88 9.141 -5.535 -2.050 1.00 0.00 N ATOM 1084 CA ALA A 88 10.173 -4.879 -1.248 1.00 0.00 C ATOM 1085 C ALA A 88 10.420 -3.429 -1.718 1.00 0.00 C ATOM 1086 O ALA A 88 10.564 -2.517 -0.907 1.00 0.00 O ATOM 1087 CB ALA A 88 11.454 -5.722 -1.283 1.00 0.00 C ATOM 0 H ALA A 88 9.484 -6.320 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 88 9.832 -4.809 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.226 -5.236 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.249 -6.712 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.798 -5.818 -2.313 1.00 0.00 H new ATOM 1093 N SER A 89 10.396 -3.180 -3.032 1.00 0.00 N ATOM 1094 CA SER A 89 10.553 -1.833 -3.610 1.00 0.00 C ATOM 1095 C SER A 89 9.356 -0.933 -3.293 1.00 0.00 C ATOM 1096 O SER A 89 9.528 0.273 -3.107 1.00 0.00 O ATOM 1097 CB SER A 89 10.755 -1.906 -5.129 1.00 0.00 C ATOM 1098 OG SER A 89 12.021 -2.464 -5.441 1.00 0.00 O ATOM 0 H SER A 89 10.266 -3.910 -3.732 1.00 0.00 H new ATOM 0 HA SER A 89 11.440 -1.395 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.966 -2.510 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.676 -0.908 -5.560 1.00 0.00 H new ATOM 0 HG SER A 89 12.130 -2.504 -6.414 1.00 0.00 H new ATOM 1104 N ARG A 90 8.143 -1.498 -3.185 1.00 0.00 N ATOM 1105 CA ARG A 90 6.945 -0.745 -2.780 1.00 0.00 C ATOM 1106 C ARG A 90 7.068 -0.231 -1.337 1.00 0.00 C ATOM 1107 O ARG A 90 6.815 0.947 -1.084 1.00 0.00 O ATOM 1108 CB ARG A 90 5.674 -1.591 -2.954 1.00 0.00 C ATOM 1109 CG ARG A 90 5.323 -2.044 -4.379 1.00 0.00 C ATOM 1110 CD ARG A 90 5.322 -0.894 -5.389 1.00 0.00 C ATOM 1111 NE ARG A 90 4.603 -1.256 -6.625 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.459 -0.507 -7.705 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.044 0.651 -7.823 1.00 0.00 N ATOM 1114 NH2 ARG A 90 3.711 -0.905 -8.691 1.00 0.00 N ATOM 0 H ARG A 90 7.965 -2.484 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 90 6.865 0.122 -3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.772 -2.480 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.832 -1.020 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.038 -2.801 -4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.340 -2.516 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.857 -0.016 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.349 -0.621 -5.632 1.00 0.00 H new ATOM 0 HE ARG A 90 4.172 -2.180 -6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.633 1.004 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.913 1.205 -8.669 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.229 -1.802 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.606 -0.320 -9.520 1.00 0.00 H new ATOM 1128 N LEU A 91 7.507 -1.080 -0.397 1.00 0.00 N ATOM 1129 CA LEU A 91 7.718 -0.700 1.014 1.00 0.00 C ATOM 1130 C LEU A 91 8.789 0.400 1.179 1.00 0.00 C ATOM 1131 O LEU A 91 8.644 1.285 2.023 1.00 0.00 O ATOM 1132 CB LEU A 91 7.972 -1.968 1.868 1.00 0.00 C ATOM 1133 CG LEU A 91 9.447 -2.296 2.199 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.903 -1.641 3.507 1.00 0.00 C ATOM 1135 CD2 LEU A 91 9.714 -3.797 2.317 1.00 0.00 C ATOM 0 H LEU A 91 7.728 -2.057 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 91 6.807 -0.237 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.428 -1.861 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 91 7.542 -2.822 1.345 1.00 0.00 H new ATOM 0 HG LEU A 91 10.012 -1.895 1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.945 -1.899 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.806 -0.558 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.283 -1.999 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.766 -3.962 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 91 9.096 -4.215 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.471 -4.285 1.373 1.00 0.00 H new ATOM 1147 N GLN A 92 9.834 0.391 0.339 1.00 0.00 N ATOM 1148 CA GLN A 92 10.914 1.386 0.334 1.00 0.00 C ATOM 1149 C GLN A 92 10.415 2.829 0.135 1.00 0.00 C ATOM 1150 O GLN A 92 10.979 3.770 0.696 1.00 0.00 O ATOM 1151 CB GLN A 92 11.953 0.993 -0.741 1.00 0.00 C ATOM 1152 CG GLN A 92 13.247 0.377 -0.189 1.00 0.00 C ATOM 1153 CD GLN A 92 13.074 -0.941 0.569 1.00 0.00 C ATOM 1154 OE1 GLN A 92 12.659 -0.978 1.718 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.447 -2.063 -0.010 1.00 0.00 N ATOM 0 H GLN A 92 9.954 -0.328 -0.374 1.00 0.00 H new ATOM 0 HA GLN A 92 11.379 1.380 1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.493 0.283 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.208 1.880 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.934 0.212 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.719 1.100 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.796 -2.051 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.387 -2.944 0.500 1.00 0.00 H new ATOM 1164 N GLY A 93 9.321 2.999 -0.610 1.00 0.00 N ATOM 1165 CA GLY A 93 8.645 4.283 -0.819 1.00 0.00 C ATOM 1166 C GLY A 93 7.854 4.754 0.406 1.00 0.00 C ATOM 1167 O GLY A 93 7.872 5.942 0.735 1.00 0.00 O ATOM 0 H GLY A 93 8.868 2.227 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.386 5.039 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.968 4.196 -1.669 1.00 0.00 H new ATOM 1171 N LEU A 94 7.200 3.830 1.123 1.00 0.00 N ATOM 1172 CA LEU A 94 6.494 4.126 2.373 1.00 0.00 C ATOM 1173 C LEU A 94 7.433 4.649 3.467 1.00 0.00 C ATOM 1174 O LEU A 94 7.101 5.633 4.117 1.00 0.00 O ATOM 1175 CB LEU A 94 5.712 2.896 2.874 1.00 0.00 C ATOM 1176 CG LEU A 94 4.240 2.860 2.445 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.563 1.624 3.032 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.461 4.079 2.949 1.00 0.00 C ATOM 0 H LEU A 94 7.147 2.849 0.848 1.00 0.00 H new ATOM 0 HA LEU A 94 5.785 4.923 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.205 1.995 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.761 2.869 3.963 1.00 0.00 H new ATOM 0 HG LEU A 94 4.231 2.849 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.517 1.602 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.066 0.727 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.621 1.659 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.424 4.009 2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.496 4.108 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.908 4.988 2.547 1.00 0.00 H new ATOM 1190 N GLN A 95 8.617 4.060 3.661 1.00 0.00 N ATOM 1191 CA GLN A 95 9.573 4.540 4.668 1.00 0.00 C ATOM 1192 C GLN A 95 9.972 6.003 4.408 1.00 0.00 C ATOM 1193 O GLN A 95 10.097 6.798 5.343 1.00 0.00 O ATOM 1194 CB GLN A 95 10.788 3.595 4.683 1.00 0.00 C ATOM 1195 CG GLN A 95 11.911 3.996 5.654 1.00 0.00 C ATOM 1196 CD GLN A 95 11.499 4.119 7.126 1.00 0.00 C ATOM 1197 OE1 GLN A 95 10.516 3.563 7.597 1.00 0.00 O ATOM 1198 NE2 GLN A 95 12.254 4.845 7.922 1.00 0.00 N ATOM 0 H GLN A 95 8.938 3.248 3.134 1.00 0.00 H new ATOM 0 HA GLN A 95 9.108 4.528 5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.446 2.592 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.201 3.542 3.676 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.712 3.260 5.579 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.324 4.951 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.079 5.318 7.552 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.015 4.935 8.909 1.00 0.00 H new ATOM 1207 N LYS A 96 10.115 6.376 3.129 1.00 0.00 N ATOM 1208 CA LYS A 96 10.457 7.732 2.686 1.00 0.00 C ATOM 1209 C LYS A 96 9.363 8.773 2.974 1.00 0.00 C ATOM 1210 O LYS A 96 9.689 9.931 3.231 1.00 0.00 O ATOM 1211 CB LYS A 96 10.815 7.709 1.191 1.00 0.00 C ATOM 1212 CG LYS A 96 11.903 8.753 0.894 1.00 0.00 C ATOM 1213 CD LYS A 96 12.086 9.004 -0.609 1.00 0.00 C ATOM 1214 CE LYS A 96 10.955 9.839 -1.232 1.00 0.00 C ATOM 1215 NZ LYS A 96 10.922 11.230 -0.701 1.00 0.00 N ATOM 0 H LYS A 96 9.992 5.724 2.354 1.00 0.00 H new ATOM 0 HA LYS A 96 11.320 8.050 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.165 6.716 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.928 7.917 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.646 9.691 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.849 8.418 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.036 9.514 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.146 8.046 -1.125 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.082 9.868 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.998 9.355 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.287 11.810 -1.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.576 11.219 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.880 11.634 -0.726 1.00 0.00 H new ATOM 1229 N LEU A 97 8.084 8.379 2.964 1.00 0.00 N ATOM 1230 CA LEU A 97 6.946 9.229 3.312 1.00 0.00 C ATOM 1231 C LEU A 97 7.089 9.726 4.756 1.00 0.00 C ATOM 1232 O LEU A 97 7.096 10.935 4.990 1.00 0.00 O ATOM 1233 CB LEU A 97 5.654 8.425 3.062 1.00 0.00 C ATOM 1234 CG LEU A 97 4.371 8.999 3.656 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.035 10.410 3.185 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.216 8.050 3.333 1.00 0.00 C ATOM 0 H LEU A 97 7.807 7.432 2.706 1.00 0.00 H new ATOM 0 HA LEU A 97 6.907 10.123 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.517 8.325 1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.795 7.420 3.460 1.00 0.00 H new ATOM 0 HG LEU A 97 4.530 9.083 4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.109 10.740 3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.843 11.088 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.912 10.413 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.291 8.447 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.114 7.956 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.419 7.070 3.765 1.00 0.00 H new ATOM 1248 N ILE A 98 7.260 8.806 5.717 1.00 0.00 N ATOM 1249 CA ILE A 98 7.464 9.186 7.122 1.00 0.00 C ATOM 1250 C ILE A 98 8.790 9.917 7.324 1.00 0.00 C ATOM 1251 O ILE A 98 8.807 10.919 8.026 1.00 0.00 O ATOM 1252 CB ILE A 98 7.338 7.999 8.100 1.00 0.00 C ATOM 1253 CG1 ILE A 98 5.981 7.286 7.917 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.469 8.517 9.537 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.123 6.016 7.080 1.00 0.00 C ATOM 0 H ILE A 98 7.261 7.800 5.548 1.00 0.00 H new ATOM 0 HA ILE A 98 6.653 9.874 7.360 1.00 0.00 H new ATOM 0 HB ILE A 98 8.131 7.280 7.894 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.566 7.035 8.893 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.275 7.963 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.381 7.683 10.234 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.440 8.995 9.664 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.679 9.241 9.736 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.148 5.541 6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.513 6.271 6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.809 5.329 7.575 1.00 0.00 H new ATOM 1267 N ASN A 99 9.887 9.483 6.692 1.00 0.00 N ATOM 1268 CA ASN A 99 11.190 10.158 6.779 1.00 0.00 C ATOM 1269 C ASN A 99 11.126 11.669 6.452 1.00 0.00 C ATOM 1270 O ASN A 99 11.902 12.448 7.007 1.00 0.00 O ATOM 1271 CB ASN A 99 12.174 9.426 5.851 1.00 0.00 C ATOM 1272 CG ASN A 99 13.534 10.100 5.765 1.00 0.00 C ATOM 1273 OD1 ASN A 99 13.835 10.823 4.825 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.404 9.880 6.722 1.00 0.00 N ATOM 0 H ASN A 99 9.897 8.650 6.103 1.00 0.00 H new ATOM 0 HA ASN A 99 11.531 10.109 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.305 8.404 6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.743 9.364 4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.327 10.311 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.157 9.278 7.507 1.00 0.00 H new ATOM 1281 N ASP A 100 10.191 12.096 5.595 1.00 0.00 N ATOM 1282 CA ASP A 100 9.969 13.513 5.277 1.00 0.00 C ATOM 1283 C ASP A 100 9.321 14.277 6.458 1.00 0.00 C ATOM 1284 O ASP A 100 9.910 15.217 6.999 1.00 0.00 O ATOM 1285 CB ASP A 100 9.140 13.623 3.986 1.00 0.00 C ATOM 1286 CG ASP A 100 9.353 14.974 3.279 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.023 16.032 3.864 1.00 0.00 O ATOM 1288 OD2 ASP A 100 9.848 14.979 2.127 1.00 0.00 O ATOM 0 H ASP A 100 9.562 11.464 5.099 1.00 0.00 H new ATOM 0 HA ASP A 100 10.934 13.991 5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.412 12.813 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.083 13.500 4.222 1.00 0.00 H new ATOM 1293 N SER A 101 8.129 13.852 6.893 1.00 0.00 N ATOM 1294 CA SER A 101 7.319 14.446 7.975 1.00 0.00 C ATOM 1295 C SER A 101 7.602 13.871 9.378 1.00 0.00 C ATOM 1296 O SER A 101 6.791 14.021 10.292 1.00 0.00 O ATOM 1297 CB SER A 101 5.826 14.344 7.615 1.00 0.00 C ATOM 1298 OG SER A 101 5.466 13.020 7.259 1.00 0.00 O ATOM 0 H SER A 101 7.674 13.038 6.479 1.00 0.00 H new ATOM 0 HA SER A 101 7.615 15.493 8.046 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.223 14.670 8.463 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.604 15.018 6.787 1.00 0.00 H new ATOM 0 HG SER A 101 4.512 12.989 7.038 1.00 0.00 H new ATOM 1304 N VAL A 102 8.749 13.230 9.605 1.00 0.00 N ATOM 1305 CA VAL A 102 9.080 12.530 10.863 1.00 0.00 C ATOM 1306 C VAL A 102 9.042 13.435 12.100 1.00 0.00 C ATOM 1307 O VAL A 102 8.498 13.050 13.133 1.00 0.00 O ATOM 1308 CB VAL A 102 10.436 11.802 10.749 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.613 12.751 10.496 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.708 10.965 11.999 1.00 0.00 C ATOM 0 H VAL A 102 9.494 13.177 8.910 1.00 0.00 H new ATOM 0 HA VAL A 102 8.293 11.790 11.011 1.00 0.00 H new ATOM 0 HB VAL A 102 10.356 11.151 9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.536 12.175 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.451 13.291 9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.690 13.462 11.318 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.669 10.461 11.897 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.730 11.615 12.874 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.919 10.222 12.118 1.00 0.00 H new ATOM 1320 N PHE A 103 9.569 14.658 11.991 1.00 0.00 N ATOM 1321 CA PHE A 103 9.543 15.672 13.054 1.00 0.00 C ATOM 1322 C PHE A 103 8.175 16.365 13.184 1.00 0.00 C ATOM 1323 O PHE A 103 7.963 17.158 14.105 1.00 0.00 O ATOM 1324 CB PHE A 103 10.647 16.708 12.792 1.00 0.00 C ATOM 1325 CG PHE A 103 12.031 16.127 12.545 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.571 15.165 13.423 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.776 16.538 11.423 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.839 14.609 13.171 1.00 0.00 C ATOM 1329 CE2 PHE A 103 14.046 15.988 11.175 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.576 15.019 12.047 1.00 0.00 C ATOM 0 H PHE A 103 10.036 14.980 11.143 1.00 0.00 H new ATOM 0 HA PHE A 103 9.722 15.164 14.001 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.363 17.309 11.928 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.700 17.383 13.646 1.00 0.00 H new ATOM 0 HD1 PHE A 103 12.010 14.854 14.292 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.370 17.279 10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.246 13.867 13.842 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.615 16.309 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.548 14.591 11.853 1.00 0.00 H new ATOM 1340 N PHE A 104 7.247 16.069 12.269 1.00 0.00 N ATOM 1341 CA PHE A 104 5.873 16.591 12.272 1.00 0.00 C ATOM 1342 C PHE A 104 4.904 15.591 12.921 1.00 0.00 C ATOM 1343 O PHE A 104 4.115 15.968 13.792 1.00 0.00 O ATOM 1344 CB PHE A 104 5.454 16.973 10.841 1.00 0.00 C ATOM 1345 CG PHE A 104 3.956 17.022 10.632 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.231 18.185 10.952 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.280 15.871 10.185 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.830 18.183 10.849 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.884 15.870 10.069 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.165 17.021 10.420 1.00 0.00 C ATOM 0 H PHE A 104 7.433 15.444 11.485 1.00 0.00 H new ATOM 0 HA PHE A 104 5.835 17.495 12.880 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.877 17.948 10.597 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.885 16.255 10.143 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.750 19.075 11.275 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.841 14.984 9.930 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.266 19.070 11.098 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.367 14.991 9.713 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.087 17.015 10.360 1.00 0.00 H new ATOM 1360 N LEU A 105 4.966 14.318 12.516 1.00 0.00 N ATOM 1361 CA LEU A 105 4.153 13.240 13.071 1.00 0.00 C ATOM 1362 C LEU A 105 4.443 13.040 14.566 1.00 0.00 C ATOM 1363 O LEU A 105 5.602 12.977 14.986 1.00 0.00 O ATOM 1364 CB LEU A 105 4.410 11.948 12.275 1.00 0.00 C ATOM 1365 CG LEU A 105 3.938 11.998 10.808 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.310 10.692 10.121 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.430 12.196 10.684 1.00 0.00 C ATOM 0 H LEU A 105 5.597 14.006 11.778 1.00 0.00 H new ATOM 0 HA LEU A 105 3.100 13.507 12.983 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.478 11.731 12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.908 11.121 12.777 1.00 0.00 H new ATOM 0 HG LEU A 105 4.429 12.851 10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.979 10.720 9.083 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.391 10.559 10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.826 9.861 10.634 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.152 12.224 9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.913 11.371 11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.146 13.135 11.159 1.00 0.00 H new ATOM 1379 N ALA A 106 3.382 12.943 15.372 1.00 0.00 N ATOM 1380 CA ALA A 106 3.484 12.647 16.801 1.00 0.00 C ATOM 1381 C ALA A 106 4.164 11.283 17.029 1.00 0.00 C ATOM 1382 O ALA A 106 4.083 10.404 16.171 1.00 0.00 O ATOM 1383 CB ALA A 106 2.068 12.664 17.398 1.00 0.00 C ATOM 0 H ALA A 106 2.423 13.069 15.048 1.00 0.00 H new ATOM 0 HA ALA A 106 4.100 13.399 17.294 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.120 12.445 18.465 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.623 13.648 17.251 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.455 11.911 16.903 1.00 0.00 H new ATOM 1389 N ALA A 107 4.758 11.060 18.208 1.00 0.00 N ATOM 1390 CA ALA A 107 5.373 9.774 18.568 1.00 0.00 C ATOM 1391 C ALA A 107 4.402 8.584 18.394 1.00 0.00 C ATOM 1392 O ALA A 107 4.807 7.502 17.968 1.00 0.00 O ATOM 1393 CB ALA A 107 5.913 9.877 19.999 1.00 0.00 C ATOM 0 H ALA A 107 4.826 11.766 18.941 1.00 0.00 H new ATOM 0 HA ALA A 107 6.197 9.570 17.884 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.373 8.931 20.283 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.657 10.672 20.051 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.094 10.101 20.682 1.00 0.00 H new ATOM 1399 N TYR A 108 3.111 8.810 18.665 1.00 0.00 N ATOM 1400 CA TYR A 108 2.016 7.858 18.468 1.00 0.00 C ATOM 1401 C TYR A 108 1.872 7.470 16.985 1.00 0.00 C ATOM 1402 O TYR A 108 1.959 6.295 16.630 1.00 0.00 O ATOM 1403 CB TYR A 108 0.730 8.491 19.032 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.548 7.734 18.728 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.858 6.554 19.431 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.433 8.220 17.745 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -2.052 5.858 19.152 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.625 7.528 17.463 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.940 6.345 18.166 1.00 0.00 C ATOM 1410 OH TYR A 108 -4.100 5.684 17.894 1.00 0.00 O ATOM 0 H TYR A 108 2.789 9.701 19.044 1.00 0.00 H new ATOM 0 HA TYR A 108 2.223 6.929 18.999 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.832 8.580 20.114 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.638 9.502 18.636 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.180 6.182 20.185 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.196 9.126 17.207 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.288 4.953 19.692 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.300 7.902 16.708 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.590 6.159 17.190 1.00 0.00 H new ATOM 1420 N ASP A 109 1.687 8.458 16.108 1.00 0.00 N ATOM 1421 CA ASP A 109 1.464 8.276 14.666 1.00 0.00 C ATOM 1422 C ASP A 109 2.708 7.742 13.937 1.00 0.00 C ATOM 1423 O ASP A 109 2.619 6.874 13.068 1.00 0.00 O ATOM 1424 CB ASP A 109 1.044 9.619 14.051 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.125 9.507 13.053 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.282 8.458 12.388 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.899 10.487 12.945 1.00 0.00 O ATOM 0 H ASP A 109 1.688 9.439 16.387 1.00 0.00 H new ATOM 0 HA ASP A 109 0.678 7.531 14.545 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.762 10.302 14.852 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.902 10.060 13.543 1.00 0.00 H new ATOM 1432 N LEU A 110 3.889 8.235 14.323 1.00 0.00 N ATOM 1433 CA LEU A 110 5.188 7.787 13.832 1.00 0.00 C ATOM 1434 C LEU A 110 5.356 6.280 14.068 1.00 0.00 C ATOM 1435 O LEU A 110 5.653 5.533 13.132 1.00 0.00 O ATOM 1436 CB LEU A 110 6.278 8.623 14.531 1.00 0.00 C ATOM 1437 CG LEU A 110 7.727 8.188 14.246 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.023 8.140 12.753 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.694 9.186 14.876 1.00 0.00 C ATOM 0 H LEU A 110 3.965 8.984 15.011 1.00 0.00 H new ATOM 0 HA LEU A 110 5.272 7.938 12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.163 9.664 14.229 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.109 8.582 15.607 1.00 0.00 H new ATOM 0 HG LEU A 110 7.852 7.191 14.667 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.056 7.829 12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.353 7.428 12.272 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.873 9.129 12.320 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.719 8.877 14.673 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.523 10.176 14.452 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.531 9.220 15.953 1.00 0.00 H new ATOM 1451 N ARG A 111 5.115 5.826 15.307 1.00 0.00 N ATOM 1452 CA ARG A 111 5.162 4.402 15.668 1.00 0.00 C ATOM 1453 C ARG A 111 4.124 3.570 14.917 1.00 0.00 C ATOM 1454 O ARG A 111 4.444 2.488 14.429 1.00 0.00 O ATOM 1455 CB ARG A 111 5.084 4.243 17.201 1.00 0.00 C ATOM 1456 CG ARG A 111 5.647 2.893 17.681 1.00 0.00 C ATOM 1457 CD ARG A 111 5.393 2.632 19.174 1.00 0.00 C ATOM 1458 NE ARG A 111 6.082 3.588 20.069 1.00 0.00 N ATOM 1459 CZ ARG A 111 7.301 3.498 20.575 1.00 0.00 C ATOM 1460 NH1 ARG A 111 8.134 2.558 20.226 1.00 0.00 N ATOM 1461 NH2 ARG A 111 7.715 4.360 21.460 1.00 0.00 N ATOM 0 H ARG A 111 4.881 6.438 16.089 1.00 0.00 H new ATOM 0 HA ARG A 111 6.121 3.998 15.345 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.637 5.053 17.676 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.046 4.335 17.521 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.198 2.090 17.096 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.720 2.865 17.490 1.00 0.00 H new ATOM 0 HD2 ARG A 111 4.321 2.677 19.365 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.718 1.620 19.418 1.00 0.00 H new ATOM 0 HE ARG A 111 5.551 4.420 20.328 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.854 1.858 19.539 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.066 2.523 20.639 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.098 5.111 21.768 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.656 4.283 21.845 1.00 0.00 H new ATOM 1475 N GLN A 112 2.922 4.115 14.753 1.00 0.00 N ATOM 1476 CA GLN A 112 1.808 3.507 13.999 1.00 0.00 C ATOM 1477 C GLN A 112 2.114 3.327 12.497 1.00 0.00 C ATOM 1478 O GLN A 112 1.693 2.331 11.905 1.00 0.00 O ATOM 1479 CB GLN A 112 0.523 4.338 14.179 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.205 4.098 15.514 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.070 2.836 15.500 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -1.980 2.675 14.695 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.848 1.898 16.395 1.00 0.00 N ATOM 0 H GLN A 112 2.679 5.022 15.151 1.00 0.00 H new ATOM 0 HA GLN A 112 1.666 2.509 14.412 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.774 5.396 14.101 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.160 4.111 13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.531 4.020 16.315 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.832 4.960 15.741 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.096 2.010 17.075 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.428 1.059 16.409 1.00 0.00 H new ATOM 1492 N GLY A 113 2.863 4.245 11.874 1.00 0.00 N ATOM 1493 CA GLY A 113 3.289 4.144 10.474 1.00 0.00 C ATOM 1494 C GLY A 113 4.475 3.199 10.283 1.00 0.00 C ATOM 1495 O GLY A 113 4.410 2.276 9.472 1.00 0.00 O ATOM 0 H GLY A 113 3.195 5.092 12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.452 3.796 9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.557 5.135 10.108 1.00 0.00 H new ATOM 1499 N GLN A 114 5.563 3.391 11.033 1.00 0.00 N ATOM 1500 CA GLN A 114 6.749 2.534 10.922 1.00 0.00 C ATOM 1501 C GLN A 114 6.452 1.046 11.193 1.00 0.00 C ATOM 1502 O GLN A 114 6.963 0.186 10.473 1.00 0.00 O ATOM 1503 CB GLN A 114 7.871 3.040 11.840 1.00 0.00 C ATOM 1504 CG GLN A 114 8.719 4.131 11.169 1.00 0.00 C ATOM 1505 CD GLN A 114 9.943 4.516 12.004 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.560 3.714 12.694 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.369 5.759 11.958 1.00 0.00 N ATOM 0 H GLN A 114 5.648 4.134 11.726 1.00 0.00 H new ATOM 0 HA GLN A 114 7.079 2.597 9.885 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.437 3.433 12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.512 2.205 12.122 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.046 3.782 10.190 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.103 5.015 11.003 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.874 6.447 11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.195 6.035 12.489 1.00 0.00 H new ATOM 1516 N GLU A 115 5.611 0.714 12.183 1.00 0.00 N ATOM 1517 CA GLU A 115 5.252 -0.685 12.464 1.00 0.00 C ATOM 1518 C GLU A 115 4.446 -1.357 11.345 1.00 0.00 C ATOM 1519 O GLU A 115 4.572 -2.559 11.111 1.00 0.00 O ATOM 1520 CB GLU A 115 4.535 -0.806 13.816 1.00 0.00 C ATOM 1521 CG GLU A 115 3.063 -0.370 13.801 1.00 0.00 C ATOM 1522 CD GLU A 115 2.374 -0.447 15.181 1.00 0.00 C ATOM 1523 OE1 GLU A 115 3.051 -0.427 16.239 1.00 0.00 O ATOM 1524 OE2 GLU A 115 1.124 -0.543 15.212 1.00 0.00 O ATOM 0 H GLU A 115 5.167 1.393 12.802 1.00 0.00 H new ATOM 0 HA GLU A 115 6.194 -1.231 12.514 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.590 -1.842 14.150 1.00 0.00 H new ATOM 0 HB3 GLU A 115 5.071 -0.205 14.551 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.001 0.654 13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 115 2.516 -0.997 13.097 1.00 0.00 H new ATOM 1531 N ALA A 116 3.640 -0.575 10.630 1.00 0.00 N ATOM 1532 CA ALA A 116 2.842 -1.043 9.500 1.00 0.00 C ATOM 1533 C ALA A 116 3.729 -1.582 8.366 1.00 0.00 C ATOM 1534 O ALA A 116 3.448 -2.666 7.864 1.00 0.00 O ATOM 1535 CB ALA A 116 1.859 0.036 9.045 1.00 0.00 C ATOM 0 H ALA A 116 3.521 0.419 10.824 1.00 0.00 H new ATOM 0 HA ALA A 116 2.240 -1.890 9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.276 -0.335 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.189 0.288 9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.410 0.926 8.741 1.00 0.00 H new ATOM 1541 N LEU A 117 4.828 -0.914 7.990 1.00 0.00 N ATOM 1542 CA LEU A 117 5.755 -1.463 6.982 1.00 0.00 C ATOM 1543 C LEU A 117 6.227 -2.878 7.364 1.00 0.00 C ATOM 1544 O LEU A 117 6.192 -3.798 6.544 1.00 0.00 O ATOM 1545 CB LEU A 117 6.991 -0.567 6.807 1.00 0.00 C ATOM 1546 CG LEU A 117 6.780 0.657 5.909 1.00 0.00 C ATOM 1547 CD1 LEU A 117 5.957 1.747 6.593 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.137 1.240 5.558 1.00 0.00 C ATOM 0 H LEU A 117 5.098 -0.003 8.361 1.00 0.00 H new ATOM 0 HA LEU A 117 5.201 -1.505 6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.317 -0.226 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.801 -1.167 6.393 1.00 0.00 H new ATOM 0 HG LEU A 117 6.236 0.327 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.837 2.592 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.976 1.351 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.470 2.077 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.004 2.113 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.654 1.535 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.729 0.492 5.032 1.00 0.00 H new ATOM 1560 N ALA A 118 6.617 -3.055 8.629 1.00 0.00 N ATOM 1561 CA ALA A 118 7.078 -4.336 9.169 1.00 0.00 C ATOM 1562 C ALA A 118 5.967 -5.399 9.198 1.00 0.00 C ATOM 1563 O ALA A 118 6.213 -6.576 8.924 1.00 0.00 O ATOM 1564 CB ALA A 118 7.609 -4.118 10.585 1.00 0.00 C ATOM 0 H ALA A 118 6.621 -2.301 9.316 1.00 0.00 H new ATOM 0 HA ALA A 118 7.864 -4.708 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.954 -5.067 10.994 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.439 -3.411 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.813 -3.719 11.215 1.00 0.00 H new ATOM 1570 N ARG A 119 4.730 -4.987 9.508 1.00 0.00 N ATOM 1571 CA ARG A 119 3.539 -5.840 9.481 1.00 0.00 C ATOM 1572 C ARG A 119 3.307 -6.437 8.089 1.00 0.00 C ATOM 1573 O ARG A 119 3.070 -7.638 7.974 1.00 0.00 O ATOM 1574 CB ARG A 119 2.307 -5.028 9.924 1.00 0.00 C ATOM 1575 CG ARG A 119 2.069 -4.941 11.438 1.00 0.00 C ATOM 1576 CD ARG A 119 0.987 -5.924 11.912 1.00 0.00 C ATOM 1577 NE ARG A 119 1.491 -7.304 12.055 1.00 0.00 N ATOM 1578 CZ ARG A 119 2.041 -7.837 13.133 1.00 0.00 C ATOM 1579 NH1 ARG A 119 2.291 -7.131 14.200 1.00 0.00 N ATOM 1580 NH2 ARG A 119 2.350 -9.100 13.165 1.00 0.00 N ATOM 0 H ARG A 119 4.528 -4.028 9.791 1.00 0.00 H new ATOM 0 HA ARG A 119 3.698 -6.667 10.173 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.404 -4.015 9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.422 -5.466 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 119 3.001 -5.148 11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.775 -3.925 11.700 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.590 -5.586 12.869 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.159 -5.916 11.203 1.00 0.00 H new ATOM 0 HE ARG A 119 1.406 -7.909 11.238 1.00 0.00 H new ATOM 0 HH11 ARG A 119 2.061 -6.137 14.219 1.00 0.00 H new ATOM 0 HH12 ARG A 119 2.716 -7.572 15.015 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.168 -9.690 12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 119 2.774 -9.500 14.002 1.00 0.00 H new ATOM 1594 N LEU A 120 3.400 -5.622 7.031 1.00 0.00 N ATOM 1595 CA LEU A 120 3.284 -6.070 5.633 1.00 0.00 C ATOM 1596 C LEU A 120 4.472 -6.960 5.228 1.00 0.00 C ATOM 1597 O LEU A 120 4.274 -8.006 4.612 1.00 0.00 O ATOM 1598 CB LEU A 120 3.173 -4.859 4.694 1.00 0.00 C ATOM 1599 CG LEU A 120 2.073 -3.848 5.061 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.114 -2.711 4.056 1.00 0.00 C ATOM 1601 CD2 LEU A 120 0.662 -4.420 5.073 1.00 0.00 C ATOM 0 H LEU A 120 3.560 -4.619 7.121 1.00 0.00 H new ATOM 0 HA LEU A 120 2.377 -6.669 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.132 -4.340 4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.991 -5.219 3.682 1.00 0.00 H new ATOM 0 HG LEU A 120 2.284 -3.524 6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.341 -1.982 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.091 -2.229 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.940 -3.104 3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.046 -3.636 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.417 -4.806 4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.603 -5.228 5.802 1.00 0.00 H new ATOM 1613 N GLN A 121 5.699 -6.598 5.629 1.00 0.00 N ATOM 1614 CA GLN A 121 6.923 -7.392 5.416 1.00 0.00 C ATOM 1615 C GLN A 121 6.814 -8.845 5.913 1.00 0.00 C ATOM 1616 O GLN A 121 7.479 -9.729 5.370 1.00 0.00 O ATOM 1617 CB GLN A 121 8.114 -6.696 6.095 1.00 0.00 C ATOM 1618 CG GLN A 121 8.754 -5.631 5.208 1.00 0.00 C ATOM 1619 CD GLN A 121 9.809 -4.834 5.974 1.00 0.00 C ATOM 1620 OE1 GLN A 121 9.567 -3.748 6.482 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.021 -5.336 6.096 1.00 0.00 N ATOM 0 H GLN A 121 5.875 -5.723 6.123 1.00 0.00 H new ATOM 0 HA GLN A 121 7.073 -7.448 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.780 -6.236 7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.864 -7.442 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.212 -6.105 4.340 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.985 -4.955 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.243 -6.240 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.738 -4.820 6.607 1.00 0.00 H new ATOM 1630 N ALA A 122 5.955 -9.126 6.898 1.00 0.00 N ATOM 1631 CA ALA A 122 5.700 -10.486 7.367 1.00 0.00 C ATOM 1632 C ALA A 122 5.149 -11.393 6.248 1.00 0.00 C ATOM 1633 O ALA A 122 5.566 -12.545 6.139 1.00 0.00 O ATOM 1634 CB ALA A 122 4.743 -10.431 8.561 1.00 0.00 C ATOM 0 H ALA A 122 5.417 -8.413 7.392 1.00 0.00 H new ATOM 0 HA ALA A 122 6.646 -10.929 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.547 -11.442 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.194 -9.845 9.362 1.00 0.00 H new ATOM 0 HB3 ALA A 122 3.806 -9.966 8.255 1.00 0.00 H new ATOM 1640 N ALA A 123 4.273 -10.881 5.371 1.00 0.00 N ATOM 1641 CA ALA A 123 3.775 -11.638 4.219 1.00 0.00 C ATOM 1642 C ALA A 123 4.898 -11.956 3.211 1.00 0.00 C ATOM 1643 O ALA A 123 4.888 -13.017 2.588 1.00 0.00 O ATOM 1644 CB ALA A 123 2.607 -10.900 3.553 1.00 0.00 C ATOM 0 H ALA A 123 3.894 -9.937 5.441 1.00 0.00 H new ATOM 0 HA ALA A 123 3.404 -12.596 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.251 -11.477 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.797 -10.777 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.942 -9.920 3.213 1.00 0.00 H new ATOM 1650 N LEU A 124 5.902 -11.078 3.084 1.00 0.00 N ATOM 1651 CA LEU A 124 7.082 -11.303 2.245 1.00 0.00 C ATOM 1652 C LEU A 124 7.889 -12.498 2.773 1.00 0.00 C ATOM 1653 O LEU A 124 8.245 -13.393 2.009 1.00 0.00 O ATOM 1654 CB LEU A 124 7.928 -10.012 2.177 1.00 0.00 C ATOM 1655 CG LEU A 124 8.881 -9.968 0.973 1.00 0.00 C ATOM 1656 CD1 LEU A 124 8.107 -9.763 -0.319 1.00 0.00 C ATOM 1657 CD2 LEU A 124 9.859 -8.798 1.088 1.00 0.00 C ATOM 0 H LEU A 124 5.916 -10.180 3.568 1.00 0.00 H new ATOM 0 HA LEU A 124 6.770 -11.548 1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.261 -9.151 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.509 -9.919 3.094 1.00 0.00 H new ATOM 0 HG LEU A 124 9.415 -10.918 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.801 -9.735 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.404 -10.585 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 124 7.559 -8.822 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.522 -8.791 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 124 9.303 -7.861 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 124 10.451 -8.906 1.997 1.00 0.00 H new ATOM 1669 N ALA A 125 8.137 -12.548 4.085 1.00 0.00 N ATOM 1670 CA ALA A 125 8.800 -13.668 4.760 1.00 0.00 C ATOM 1671 C ALA A 125 7.974 -14.982 4.739 1.00 0.00 C ATOM 1672 O ALA A 125 8.526 -16.073 4.895 1.00 0.00 O ATOM 1673 CB ALA A 125 9.134 -13.238 6.192 1.00 0.00 C ATOM 0 H ALA A 125 7.877 -11.795 4.721 1.00 0.00 H new ATOM 0 HA ALA A 125 9.712 -13.904 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.629 -14.058 6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.796 -12.373 6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.215 -12.977 6.717 1.00 0.00 H new ATOM 1679 N GLU A 126 6.664 -14.894 4.496 1.00 0.00 N ATOM 1680 CA GLU A 126 5.724 -16.026 4.409 1.00 0.00 C ATOM 1681 C GLU A 126 5.555 -16.548 2.975 1.00 0.00 C ATOM 1682 O GLU A 126 5.253 -17.726 2.780 1.00 0.00 O ATOM 1683 CB GLU A 126 4.353 -15.631 4.982 1.00 0.00 C ATOM 1684 CG GLU A 126 4.329 -15.570 6.516 1.00 0.00 C ATOM 1685 CD GLU A 126 4.271 -16.979 7.138 1.00 0.00 C ATOM 1686 OE1 GLU A 126 3.154 -17.536 7.281 1.00 0.00 O ATOM 1687 OE2 GLU A 126 5.336 -17.537 7.494 1.00 0.00 O ATOM 0 H GLU A 126 6.205 -13.995 4.347 1.00 0.00 H new ATOM 0 HA GLU A 126 6.153 -16.834 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.067 -14.658 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.605 -16.348 4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.217 -15.050 6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.466 -14.991 6.844 1.00 0.00 H new ATOM 1694 N ARG A 127 5.760 -15.698 1.962 1.00 0.00 N ATOM 1695 CA ARG A 127 5.740 -16.073 0.540 1.00 0.00 C ATOM 1696 C ARG A 127 7.116 -16.556 0.081 1.00 0.00 C ATOM 1697 O ARG A 127 7.189 -17.542 -0.650 1.00 0.00 O ATOM 1698 CB ARG A 127 5.228 -14.892 -0.305 1.00 0.00 C ATOM 1699 CG ARG A 127 3.694 -14.799 -0.319 1.00 0.00 C ATOM 1700 CD ARG A 127 3.104 -15.772 -1.351 1.00 0.00 C ATOM 1701 NE ARG A 127 1.632 -15.842 -1.270 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.828 -16.497 -2.090 1.00 0.00 C ATOM 1703 NH1 ARG A 127 1.272 -17.120 -3.144 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.452 -16.554 -1.857 1.00 0.00 N ATOM 0 H ARG A 127 5.949 -14.707 2.110 1.00 0.00 H new ATOM 0 HA ARG A 127 5.053 -16.908 0.401 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.641 -13.963 0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.592 -14.996 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.301 -15.028 0.672 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.388 -13.780 -0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.397 -15.459 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.523 -16.766 -1.193 1.00 0.00 H new ATOM 0 HE ARG A 127 1.190 -15.334 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.269 -17.112 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.623 -17.615 -3.755 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.842 -16.091 -1.036 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.064 -17.062 -2.495 1.00 0.00 H new ATOM 1718 N ARG A 128 8.210 -15.936 0.553 1.00 0.00 N ATOM 1719 CA ARG A 128 9.595 -16.311 0.198 1.00 0.00 C ATOM 1720 C ARG A 128 9.898 -17.783 0.457 1.00 0.00 C ATOM 1721 O ARG A 128 10.408 -18.452 -0.430 1.00 0.00 O ATOM 1722 CB ARG A 128 10.624 -15.359 0.841 1.00 0.00 C ATOM 1723 CG ARG A 128 11.033 -15.628 2.300 1.00 0.00 C ATOM 1724 CD ARG A 128 12.145 -14.688 2.793 1.00 0.00 C ATOM 1725 NE ARG A 128 11.843 -13.257 2.578 1.00 0.00 N ATOM 1726 CZ ARG A 128 12.704 -12.255 2.659 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.941 -12.429 3.028 1.00 0.00 N ATOM 1728 NH2 ARG A 128 12.339 -11.042 2.362 1.00 0.00 N ATOM 0 H ARG A 128 8.160 -15.150 1.201 1.00 0.00 H new ATOM 0 HA ARG A 128 9.688 -16.188 -0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.527 -15.379 0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.224 -14.346 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.160 -15.518 2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.369 -16.661 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.311 -14.861 3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.074 -14.937 2.280 1.00 0.00 H new ATOM 0 HE ARG A 128 10.879 -13.019 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.276 -13.363 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.575 -11.632 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.382 -10.856 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.010 -10.277 2.428 1.00 0.00 H new