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= -0.151 X(o=-0.15,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= 0.97 K(o=0.97,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc=0.000279 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0686 X(o=-0.069,f=-0.26) USER MOD Single : A 114 GLN :FLIP amide:sc= -2.14 F(o=-6.1!,f=-2.1) USER MOD Single : A 121 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.074 18.117 8.185 1.00 0.00 N ATOM 575 CA ASN A 56 -1.759 17.709 7.686 1.00 0.00 C ATOM 576 C ASN A 56 -1.394 16.286 8.165 1.00 0.00 C ATOM 577 O ASN A 56 -0.793 15.512 7.418 1.00 0.00 O ATOM 578 CB ASN A 56 -0.706 18.761 8.099 1.00 0.00 C ATOM 579 CG ASN A 56 -0.926 20.171 7.560 1.00 0.00 C ATOM 580 OD1 ASN A 56 -0.635 21.163 8.214 1.00 0.00 O ATOM 581 ND2 ASN A 56 -1.400 20.337 6.345 1.00 0.00 N ATOM 0 HA ASN A 56 -1.783 17.663 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.677 18.809 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.274 18.415 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.518 21.277 5.968 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.650 19.526 5.780 1.00 0.00 H new ATOM 588 N SER A 57 -1.808 15.915 9.385 1.00 0.00 N ATOM 589 CA SER A 57 -1.632 14.562 9.937 1.00 0.00 C ATOM 590 C SER A 57 -2.598 13.564 9.274 1.00 0.00 C ATOM 591 O SER A 57 -2.224 12.429 8.989 1.00 0.00 O ATOM 592 CB SER A 57 -1.826 14.594 11.461 1.00 0.00 C ATOM 593 OG SER A 57 -1.028 13.610 12.095 1.00 0.00 O ATOM 0 H SER A 57 -2.281 16.553 10.025 1.00 0.00 H new ATOM 0 HA SER A 57 -0.619 14.224 9.721 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.565 15.581 11.844 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.876 14.426 11.701 1.00 0.00 H new ATOM 0 HG SER A 57 -1.167 13.651 13.064 1.00 0.00 H new ATOM 599 N HIS A 58 -3.832 13.988 8.957 1.00 0.00 N ATOM 600 CA HIS A 58 -4.820 13.174 8.224 1.00 0.00 C ATOM 601 C HIS A 58 -4.359 12.845 6.795 1.00 0.00 C ATOM 602 O HIS A 58 -4.509 11.703 6.357 1.00 0.00 O ATOM 603 CB HIS A 58 -6.191 13.875 8.227 1.00 0.00 C ATOM 604 CG HIS A 58 -7.219 13.178 7.368 1.00 0.00 C ATOM 605 ND1 HIS A 58 -7.783 13.685 6.209 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.705 11.915 7.564 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.604 12.739 5.709 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.573 11.656 6.515 1.00 0.00 N ATOM 0 H HIS A 58 -4.177 14.915 9.204 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.915 12.220 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.561 13.931 9.251 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.068 14.900 7.876 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.460 11.249 8.378 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.192 12.833 4.808 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.099 10.793 6.375 1.00 0.00 H new ATOM 617 N PHE A 59 -3.759 13.807 6.080 1.00 0.00 N ATOM 618 CA PHE A 59 -3.203 13.600 4.735 1.00 0.00 C ATOM 619 C PHE A 59 -2.213 12.427 4.711 1.00 0.00 C ATOM 620 O PHE A 59 -2.311 11.560 3.844 1.00 0.00 O ATOM 621 CB PHE A 59 -2.542 14.885 4.208 1.00 0.00 C ATOM 622 CG PHE A 59 -2.223 14.829 2.721 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.127 14.078 2.244 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.051 15.502 1.800 1.00 0.00 C ATOM 625 CE1 PHE A 59 -0.885 13.973 0.862 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.796 15.412 0.418 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.719 14.640 -0.052 1.00 0.00 C ATOM 0 H PHE A 59 -3.645 14.761 6.423 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.031 13.348 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.203 15.731 4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.622 15.067 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.471 13.581 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.885 16.089 2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.057 13.379 0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.429 15.937 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.533 14.560 -1.113 1.00 0.00 H new ATOM 637 N PHE A 60 -1.293 12.375 5.683 1.00 0.00 N ATOM 638 CA PHE A 60 -0.356 11.264 5.850 1.00 0.00 C ATOM 639 C PHE A 60 -1.087 9.921 5.955 1.00 0.00 C ATOM 640 O PHE A 60 -0.801 9.020 5.170 1.00 0.00 O ATOM 641 CB PHE A 60 0.519 11.481 7.090 1.00 0.00 C ATOM 642 CG PHE A 60 1.302 10.243 7.492 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.174 9.643 6.568 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.075 9.622 8.738 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.785 8.420 6.875 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.711 8.406 9.052 1.00 0.00 C ATOM 647 CZ PHE A 60 2.558 7.799 8.111 1.00 0.00 C ATOM 0 H PHE A 60 -1.180 13.111 6.380 1.00 0.00 H new ATOM 0 HA PHE A 60 0.279 11.235 4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.215 12.297 6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.112 11.790 7.923 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.373 10.124 5.622 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.410 10.082 9.454 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.437 7.951 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.548 7.942 10.013 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.033 6.856 8.339 1.00 0.00 H new ATOM 657 N VAL A 61 -2.045 9.787 6.880 1.00 0.00 N ATOM 658 CA VAL A 61 -2.830 8.550 7.047 1.00 0.00 C ATOM 659 C VAL A 61 -3.486 8.120 5.730 1.00 0.00 C ATOM 660 O VAL A 61 -3.450 6.939 5.389 1.00 0.00 O ATOM 661 CB VAL A 61 -3.875 8.681 8.176 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.638 7.367 8.393 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.205 9.086 9.499 1.00 0.00 C ATOM 0 H VAL A 61 -2.300 10.528 7.533 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.132 7.766 7.341 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.578 9.455 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.365 7.496 9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.156 7.091 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.936 6.579 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.962 9.172 10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.475 8.329 9.784 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.703 10.045 9.374 1.00 0.00 H new ATOM 673 N ALA A 62 -4.020 9.067 4.953 1.00 0.00 N ATOM 674 CA ALA A 62 -4.615 8.798 3.640 1.00 0.00 C ATOM 675 C ALA A 62 -3.592 8.268 2.610 1.00 0.00 C ATOM 676 O ALA A 62 -3.783 7.186 2.049 1.00 0.00 O ATOM 677 CB ALA A 62 -5.341 10.057 3.146 1.00 0.00 C ATOM 0 H ALA A 62 -4.052 10.051 5.220 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.340 7.992 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.785 9.862 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.125 10.326 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.629 10.878 3.063 1.00 0.00 H new ATOM 683 N THR A 63 -2.501 9.002 2.355 1.00 0.00 N ATOM 684 CA THR A 63 -1.456 8.586 1.395 1.00 0.00 C ATOM 685 C THR A 63 -0.770 7.271 1.811 1.00 0.00 C ATOM 686 O THR A 63 -0.556 6.385 0.980 1.00 0.00 O ATOM 687 CB THR A 63 -0.458 9.731 1.122 1.00 0.00 C ATOM 688 OG1 THR A 63 0.393 9.412 0.042 1.00 0.00 O ATOM 689 CG2 THR A 63 0.436 10.118 2.287 1.00 0.00 C ATOM 0 H THR A 63 -2.313 9.899 2.804 1.00 0.00 H new ATOM 0 HA THR A 63 -1.948 8.369 0.447 1.00 0.00 H new ATOM 0 HB THR A 63 -1.107 10.580 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.016 10.153 -0.114 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.096 10.931 1.985 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.180 10.444 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.034 9.258 2.588 1.00 0.00 H new ATOM 697 N PHE A 64 -0.518 7.080 3.110 1.00 0.00 N ATOM 698 CA PHE A 64 0.029 5.855 3.698 1.00 0.00 C ATOM 699 C PHE A 64 -0.920 4.660 3.496 1.00 0.00 C ATOM 700 O PHE A 64 -0.485 3.597 3.050 1.00 0.00 O ATOM 701 CB PHE A 64 0.314 6.120 5.185 1.00 0.00 C ATOM 702 CG PHE A 64 1.040 4.990 5.872 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.309 3.911 6.403 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.446 4.987 5.938 1.00 0.00 C ATOM 705 CE1 PHE A 64 0.985 2.800 6.932 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.116 3.870 6.460 1.00 0.00 C ATOM 707 CZ PHE A 64 2.388 2.770 6.931 1.00 0.00 C ATOM 0 H PHE A 64 -0.697 7.803 3.807 1.00 0.00 H new ATOM 0 HA PHE A 64 0.958 5.587 3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.907 7.030 5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.629 6.301 5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.771 3.938 6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.007 5.841 5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.426 1.970 7.339 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.195 3.858 6.499 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.908 1.896 7.295 1.00 0.00 H new ATOM 717 N ALA A 65 -2.220 4.830 3.767 1.00 0.00 N ATOM 718 CA ALA A 65 -3.252 3.815 3.541 1.00 0.00 C ATOM 719 C ALA A 65 -3.349 3.365 2.072 1.00 0.00 C ATOM 720 O ALA A 65 -3.455 2.168 1.797 1.00 0.00 O ATOM 721 CB ALA A 65 -4.600 4.335 4.040 1.00 0.00 C ATOM 0 H ALA A 65 -2.590 5.696 4.158 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.964 2.929 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.367 3.579 3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.534 4.553 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.862 5.244 3.499 1.00 0.00 H new ATOM 727 N ARG A 66 -3.281 4.302 1.117 1.00 0.00 N ATOM 728 CA ARG A 66 -3.256 3.986 -0.322 1.00 0.00 C ATOM 729 C ARG A 66 -2.042 3.148 -0.721 1.00 0.00 C ATOM 730 O ARG A 66 -2.185 2.179 -1.467 1.00 0.00 O ATOM 731 CB ARG A 66 -3.330 5.282 -1.150 1.00 0.00 C ATOM 732 CG ARG A 66 -4.738 5.900 -1.191 1.00 0.00 C ATOM 733 CD ARG A 66 -5.728 4.985 -1.928 1.00 0.00 C ATOM 734 NE ARG A 66 -7.005 5.662 -2.213 1.00 0.00 N ATOM 735 CZ ARG A 66 -8.094 5.102 -2.712 1.00 0.00 C ATOM 736 NH1 ARG A 66 -8.162 3.825 -2.969 1.00 0.00 N ATOM 737 NH2 ARG A 66 -9.149 5.821 -2.968 1.00 0.00 N ATOM 0 H ARG A 66 -3.242 5.301 1.318 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.133 3.375 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.633 6.010 -0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.003 5.073 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.090 6.076 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.698 6.870 -1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.281 4.647 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.916 4.096 -1.326 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.054 6.659 -2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.358 3.224 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.019 3.427 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.139 6.824 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.985 5.381 -3.353 1.00 0.00 H new ATOM 751 N GLU A 67 -0.861 3.481 -0.206 1.00 0.00 N ATOM 752 CA GLU A 67 0.371 2.741 -0.480 1.00 0.00 C ATOM 753 C GLU A 67 0.380 1.346 0.171 1.00 0.00 C ATOM 754 O GLU A 67 0.596 0.356 -0.533 1.00 0.00 O ATOM 755 CB GLU A 67 1.575 3.575 -0.030 1.00 0.00 C ATOM 756 CG GLU A 67 1.952 4.713 -0.989 1.00 0.00 C ATOM 757 CD GLU A 67 2.331 4.203 -2.395 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.328 3.455 -2.528 1.00 0.00 O ATOM 759 OE2 GLU A 67 1.634 4.553 -3.379 1.00 0.00 O ATOM 0 H GLU A 67 -0.730 4.277 0.418 1.00 0.00 H new ATOM 0 HA GLU A 67 0.431 2.570 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.362 3.999 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.435 2.916 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.115 5.406 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.789 5.273 -0.572 1.00 0.00 H new ATOM 766 N ARG A 68 0.111 1.235 1.486 1.00 0.00 N ATOM 767 CA ARG A 68 0.088 -0.059 2.206 1.00 0.00 C ATOM 768 C ARG A 68 -0.890 -1.050 1.571 1.00 0.00 C ATOM 769 O ARG A 68 -0.556 -2.223 1.427 1.00 0.00 O ATOM 770 CB ARG A 68 -0.160 0.125 3.723 1.00 0.00 C ATOM 771 CG ARG A 68 -1.620 0.428 4.082 1.00 0.00 C ATOM 772 CD ARG A 68 -1.842 0.841 5.539 1.00 0.00 C ATOM 773 NE ARG A 68 -1.632 -0.271 6.485 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.848 -0.241 7.788 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.214 0.847 8.405 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.696 -1.314 8.508 1.00 0.00 N ATOM 0 H ARG A 68 -0.097 2.037 2.081 1.00 0.00 H new ATOM 0 HA ARG A 68 1.081 -0.496 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.152 -0.780 4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.470 0.936 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.983 1.224 3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.224 -0.455 3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.164 1.657 5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.856 1.223 5.653 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.287 -1.148 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.343 1.712 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.372 0.833 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.408 -2.187 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.865 -1.282 9.513 1.00 0.00 H new ATOM 790 N ALA A 69 -2.063 -0.576 1.146 1.00 0.00 N ATOM 791 CA ALA A 69 -3.087 -1.389 0.490 1.00 0.00 C ATOM 792 C ALA A 69 -2.577 -2.013 -0.820 1.00 0.00 C ATOM 793 O ALA A 69 -2.770 -3.208 -1.049 1.00 0.00 O ATOM 794 CB ALA A 69 -4.330 -0.524 0.253 1.00 0.00 C ATOM 0 H ALA A 69 -2.332 0.402 1.251 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.345 -2.224 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.100 -1.120 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.706 -0.158 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.069 0.322 -0.382 1.00 0.00 H new ATOM 800 N ALA A 70 -1.888 -1.227 -1.656 1.00 0.00 N ATOM 801 CA ALA A 70 -1.255 -1.712 -2.882 1.00 0.00 C ATOM 802 C ALA A 70 -0.239 -2.830 -2.584 1.00 0.00 C ATOM 803 O ALA A 70 -0.299 -3.889 -3.207 1.00 0.00 O ATOM 804 CB ALA A 70 -0.619 -0.534 -3.644 1.00 0.00 C ATOM 0 H ALA A 70 -1.755 -0.228 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.018 -2.154 -3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.149 -0.902 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.390 0.192 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.133 -0.058 -3.015 1.00 0.00 H new ATOM 810 N VAL A 71 0.656 -2.629 -1.605 1.00 0.00 N ATOM 811 CA VAL A 71 1.646 -3.640 -1.184 1.00 0.00 C ATOM 812 C VAL A 71 0.968 -4.924 -0.698 1.00 0.00 C ATOM 813 O VAL A 71 1.332 -6.016 -1.129 1.00 0.00 O ATOM 814 CB VAL A 71 2.567 -3.130 -0.056 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.743 -4.093 0.133 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.104 -1.706 -0.251 1.00 0.00 C ATOM 0 H VAL A 71 0.716 -1.757 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 71 2.246 -3.845 -2.071 1.00 0.00 H new ATOM 0 HB VAL A 71 1.937 -3.092 0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.389 -3.726 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.365 -5.081 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.313 -4.158 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.740 -1.438 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.684 -1.659 -1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.269 -1.008 -0.312 1.00 0.00 H new ATOM 826 N GLU A 72 -0.013 -4.797 0.200 1.00 0.00 N ATOM 827 CA GLU A 72 -0.760 -5.909 0.795 1.00 0.00 C ATOM 828 C GLU A 72 -1.464 -6.757 -0.280 1.00 0.00 C ATOM 829 O GLU A 72 -1.484 -7.984 -0.191 1.00 0.00 O ATOM 830 CB GLU A 72 -1.724 -5.342 1.853 1.00 0.00 C ATOM 831 CG GLU A 72 -2.079 -6.314 2.987 1.00 0.00 C ATOM 832 CD GLU A 72 -3.201 -7.317 2.650 1.00 0.00 C ATOM 833 OE1 GLU A 72 -4.265 -6.900 2.131 1.00 0.00 O ATOM 834 OE2 GLU A 72 -3.054 -8.516 2.987 1.00 0.00 O ATOM 0 H GLU A 72 -0.319 -3.887 0.544 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.076 -6.596 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.279 -4.447 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.644 -5.033 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.184 -6.871 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.378 -5.736 3.862 1.00 0.00 H new ATOM 841 N GLU A 73 -1.985 -6.125 -1.337 1.00 0.00 N ATOM 842 CA GLU A 73 -2.586 -6.823 -2.479 1.00 0.00 C ATOM 843 C GLU A 73 -1.512 -7.516 -3.344 1.00 0.00 C ATOM 844 O GLU A 73 -1.688 -8.660 -3.764 1.00 0.00 O ATOM 845 CB GLU A 73 -3.406 -5.828 -3.324 1.00 0.00 C ATOM 846 CG GLU A 73 -4.500 -6.507 -4.160 1.00 0.00 C ATOM 847 CD GLU A 73 -5.667 -7.042 -3.302 1.00 0.00 C ATOM 848 OE1 GLU A 73 -6.370 -6.235 -2.644 1.00 0.00 O ATOM 849 OE2 GLU A 73 -5.917 -8.272 -3.315 1.00 0.00 O ATOM 0 H GLU A 73 -2.002 -5.109 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.249 -7.600 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.865 -5.092 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.734 -5.285 -3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.888 -5.795 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.061 -7.331 -4.722 1.00 0.00 H new ATOM 856 N LEU A 74 -0.381 -6.842 -3.592 1.00 0.00 N ATOM 857 CA LEU A 74 0.720 -7.332 -4.433 1.00 0.00 C ATOM 858 C LEU A 74 1.374 -8.581 -3.819 1.00 0.00 C ATOM 859 O LEU A 74 1.532 -9.593 -4.504 1.00 0.00 O ATOM 860 CB LEU A 74 1.734 -6.188 -4.662 1.00 0.00 C ATOM 861 CG LEU A 74 2.487 -6.216 -6.007 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.431 -5.013 -6.073 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.302 -7.482 -6.274 1.00 0.00 C ATOM 0 H LEU A 74 -0.202 -5.916 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 74 0.329 -7.640 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.205 -5.238 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.468 -6.212 -3.856 1.00 0.00 H new ATOM 0 HG LEU A 74 1.713 -6.188 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.969 -5.024 -7.021 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.853 -4.092 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.145 -5.065 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.792 -7.401 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.056 -7.600 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.640 -8.348 -6.273 1.00 0.00 H new ATOM 875 N LEU A 75 1.718 -8.541 -2.525 1.00 0.00 N ATOM 876 CA LEU A 75 2.327 -9.673 -1.813 1.00 0.00 C ATOM 877 C LEU A 75 1.413 -10.909 -1.745 1.00 0.00 C ATOM 878 O LEU A 75 1.901 -12.038 -1.780 1.00 0.00 O ATOM 879 CB LEU A 75 2.868 -9.217 -0.444 1.00 0.00 C ATOM 880 CG LEU A 75 1.856 -8.908 0.679 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.377 -10.162 1.418 1.00 0.00 C ATOM 882 CD2 LEU A 75 2.514 -8.009 1.728 1.00 0.00 C ATOM 0 H LEU A 75 1.581 -7.718 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 75 3.182 -10.015 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.543 -9.991 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.468 -8.322 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 75 1.003 -8.433 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.668 -9.878 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.892 -10.837 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.231 -10.665 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.798 -7.791 2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.381 -8.517 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.832 -7.077 1.261 1.00 0.00 H new ATOM 894 N GLU A 76 0.089 -10.722 -1.689 1.00 0.00 N ATOM 895 CA GLU A 76 -0.885 -11.813 -1.729 1.00 0.00 C ATOM 896 C GLU A 76 -1.011 -12.420 -3.137 1.00 0.00 C ATOM 897 O GLU A 76 -1.142 -13.638 -3.280 1.00 0.00 O ATOM 898 CB GLU A 76 -2.255 -11.307 -1.252 1.00 0.00 C ATOM 899 CG GLU A 76 -2.405 -11.345 0.277 1.00 0.00 C ATOM 900 CD GLU A 76 -3.887 -11.360 0.720 1.00 0.00 C ATOM 901 OE1 GLU A 76 -4.723 -10.606 0.164 1.00 0.00 O ATOM 902 OE2 GLU A 76 -4.238 -12.169 1.615 1.00 0.00 O ATOM 0 H GLU A 76 -0.338 -9.799 -1.614 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.530 -12.599 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.401 -10.285 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.039 -11.914 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.902 -12.230 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.907 -10.478 0.711 1.00 0.00 H new ATOM 909 N ARG A 77 -0.935 -11.585 -4.183 1.00 0.00 N ATOM 910 CA ARG A 77 -0.960 -11.977 -5.606 1.00 0.00 C ATOM 911 C ARG A 77 0.408 -12.424 -6.162 1.00 0.00 C ATOM 912 O ARG A 77 0.529 -12.646 -7.369 1.00 0.00 O ATOM 913 CB ARG A 77 -1.571 -10.829 -6.434 1.00 0.00 C ATOM 914 CG ARG A 77 -3.070 -10.643 -6.140 1.00 0.00 C ATOM 915 CD ARG A 77 -3.673 -9.557 -7.036 1.00 0.00 C ATOM 916 NE ARG A 77 -5.131 -9.439 -6.835 1.00 0.00 N ATOM 917 CZ ARG A 77 -6.013 -8.902 -7.659 1.00 0.00 C ATOM 918 NH1 ARG A 77 -5.661 -8.342 -8.784 1.00 0.00 N ATOM 919 NH2 ARG A 77 -7.283 -8.917 -7.371 1.00 0.00 N ATOM 0 H ARG A 77 -0.851 -10.576 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.586 -12.866 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.041 -9.902 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.432 -11.033 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.595 -11.585 -6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.209 -10.374 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.196 -8.601 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.466 -9.789 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.499 -9.815 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.677 -8.309 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.370 -7.937 -9.396 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.604 -9.346 -6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.957 -8.500 -8.013 1.00 0.00 H new ATOM 933 N ALA A 78 1.438 -12.562 -5.321 1.00 0.00 N ATOM 934 CA ALA A 78 2.797 -12.951 -5.703 1.00 0.00 C ATOM 935 C ALA A 78 2.903 -14.408 -6.216 1.00 0.00 C ATOM 936 O ALA A 78 3.229 -15.334 -5.470 1.00 0.00 O ATOM 937 CB ALA A 78 3.751 -12.664 -4.533 1.00 0.00 C ATOM 0 H ALA A 78 1.343 -12.400 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 78 3.093 -12.345 -6.560 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.765 -12.952 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.727 -11.600 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.438 -13.236 -3.660 1.00 0.00 H new ATOM 943 N GLU A 79 2.633 -14.619 -7.509 1.00 0.00 N ATOM 944 CA GLU A 79 2.732 -15.913 -8.200 1.00 0.00 C ATOM 945 C GLU A 79 4.184 -16.411 -8.358 1.00 0.00 C ATOM 946 O GLU A 79 4.436 -17.617 -8.269 1.00 0.00 O ATOM 947 CB GLU A 79 2.032 -15.772 -9.563 1.00 0.00 C ATOM 948 CG GLU A 79 2.095 -17.051 -10.404 1.00 0.00 C ATOM 949 CD GLU A 79 1.044 -17.046 -11.531 1.00 0.00 C ATOM 950 OE1 GLU A 79 1.228 -16.328 -12.545 1.00 0.00 O ATOM 951 OE2 GLU A 79 0.025 -17.771 -11.417 1.00 0.00 O ATOM 0 H GLU A 79 2.328 -13.867 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 79 2.241 -16.674 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.989 -15.500 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.492 -14.955 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.091 -17.154 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.935 -17.917 -9.762 1.00 0.00 H new ATOM 958 N SER A 80 5.135 -15.491 -8.558 1.00 0.00 N ATOM 959 CA SER A 80 6.566 -15.761 -8.777 1.00 0.00 C ATOM 960 C SER A 80 7.454 -14.744 -8.043 1.00 0.00 C ATOM 961 O SER A 80 6.987 -13.685 -7.617 1.00 0.00 O ATOM 962 CB SER A 80 6.889 -15.740 -10.282 1.00 0.00 C ATOM 963 OG SER A 80 6.162 -16.738 -10.983 1.00 0.00 O ATOM 0 H SER A 80 4.922 -14.494 -8.573 1.00 0.00 H new ATOM 0 HA SER A 80 6.778 -16.751 -8.372 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.651 -14.759 -10.693 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.958 -15.896 -10.428 1.00 0.00 H new ATOM 0 HG SER A 80 6.387 -16.698 -11.936 1.00 0.00 H new ATOM 969 N VAL A 81 8.758 -15.029 -7.944 1.00 0.00 N ATOM 970 CA VAL A 81 9.779 -14.159 -7.310 1.00 0.00 C ATOM 971 C VAL A 81 9.785 -12.743 -7.906 1.00 0.00 C ATOM 972 O VAL A 81 9.942 -11.765 -7.179 1.00 0.00 O ATOM 973 CB VAL A 81 11.183 -14.795 -7.436 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.268 -13.971 -6.732 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.220 -16.198 -6.819 1.00 0.00 C ATOM 0 H VAL A 81 9.152 -15.895 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 81 9.516 -14.070 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 81 11.383 -14.833 -8.507 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.233 -14.463 -6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.311 -12.975 -7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.032 -13.889 -5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.221 -16.616 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.962 -16.137 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.503 -16.840 -7.331 1.00 0.00 H new ATOM 985 N GLU A 82 9.538 -12.618 -9.213 1.00 0.00 N ATOM 986 CA GLU A 82 9.404 -11.352 -9.943 1.00 0.00 C ATOM 987 C GLU A 82 8.360 -10.404 -9.315 1.00 0.00 C ATOM 988 O GLU A 82 8.602 -9.200 -9.208 1.00 0.00 O ATOM 989 CB GLU A 82 9.058 -11.713 -11.396 1.00 0.00 C ATOM 990 CG GLU A 82 8.840 -10.525 -12.340 1.00 0.00 C ATOM 991 CD GLU A 82 10.058 -9.586 -12.476 1.00 0.00 C ATOM 992 OE1 GLU A 82 11.217 -10.069 -12.501 1.00 0.00 O ATOM 993 OE2 GLU A 82 9.860 -8.354 -12.608 1.00 0.00 O ATOM 0 H GLU A 82 9.421 -13.431 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 82 10.339 -10.794 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.860 -12.331 -11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.155 -12.323 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.577 -10.905 -13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.988 -9.946 -11.984 1.00 0.00 H new ATOM 1000 N ARG A 83 7.218 -10.941 -8.858 1.00 0.00 N ATOM 1001 CA ARG A 83 6.177 -10.181 -8.139 1.00 0.00 C ATOM 1002 C ARG A 83 6.597 -9.847 -6.705 1.00 0.00 C ATOM 1003 O ARG A 83 6.374 -8.727 -6.247 1.00 0.00 O ATOM 1004 CB ARG A 83 4.852 -10.967 -8.132 1.00 0.00 C ATOM 1005 CG ARG A 83 4.193 -11.184 -9.507 1.00 0.00 C ATOM 1006 CD ARG A 83 3.427 -9.962 -10.045 1.00 0.00 C ATOM 1007 NE ARG A 83 4.304 -8.873 -10.523 1.00 0.00 N ATOM 1008 CZ ARG A 83 4.937 -8.784 -11.678 1.00 0.00 C ATOM 1009 NH1 ARG A 83 4.898 -9.734 -12.574 1.00 0.00 N ATOM 1010 NH2 ARG A 83 5.622 -7.714 -11.952 1.00 0.00 N ATOM 0 H ARG A 83 6.986 -11.927 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 83 6.037 -9.239 -8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.032 -11.942 -7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.144 -10.443 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.964 -11.460 -10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.505 -12.027 -9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.781 -10.281 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.779 -9.576 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 83 4.437 -8.092 -9.880 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.364 -10.584 -12.393 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.402 -9.626 -13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.668 -6.951 -11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.114 -7.637 -12.842 1.00 0.00 H new ATOM 1024 N LEU A 84 7.229 -10.792 -6.002 1.00 0.00 N ATOM 1025 CA LEU A 84 7.713 -10.604 -4.627 1.00 0.00 C ATOM 1026 C LEU A 84 8.732 -9.452 -4.516 1.00 0.00 C ATOM 1027 O LEU A 84 8.624 -8.613 -3.622 1.00 0.00 O ATOM 1028 CB LEU A 84 8.307 -11.927 -4.106 1.00 0.00 C ATOM 1029 CG LEU A 84 8.490 -11.921 -2.575 1.00 0.00 C ATOM 1030 CD1 LEU A 84 7.193 -12.294 -1.855 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.582 -12.901 -2.146 1.00 0.00 C ATOM 0 H LEU A 84 7.422 -11.722 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 84 6.864 -10.321 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.654 -12.753 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.270 -12.104 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 84 8.778 -10.907 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.358 -12.280 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.415 -11.576 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.881 -13.292 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.689 -12.875 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.310 -13.909 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.527 -12.619 -2.610 1.00 0.00 H new ATOM 1043 N GLU A 85 9.699 -9.383 -5.439 1.00 0.00 N ATOM 1044 CA GLU A 85 10.674 -8.282 -5.511 1.00 0.00 C ATOM 1045 C GLU A 85 10.001 -6.911 -5.700 1.00 0.00 C ATOM 1046 O GLU A 85 10.459 -5.917 -5.133 1.00 0.00 O ATOM 1047 CB GLU A 85 11.685 -8.507 -6.648 1.00 0.00 C ATOM 1048 CG GLU A 85 12.691 -9.631 -6.354 1.00 0.00 C ATOM 1049 CD GLU A 85 13.869 -9.665 -7.354 1.00 0.00 C ATOM 1050 OE1 GLU A 85 13.746 -9.174 -8.504 1.00 0.00 O ATOM 1051 OE2 GLU A 85 14.950 -10.193 -6.992 1.00 0.00 O ATOM 0 H GLU A 85 9.830 -10.091 -6.161 1.00 0.00 H new ATOM 0 HA GLU A 85 11.195 -8.278 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.144 -8.744 -7.564 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.229 -7.580 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.082 -9.506 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.173 -10.590 -6.378 1.00 0.00 H new ATOM 1058 N GLU A 86 8.902 -6.847 -6.457 1.00 0.00 N ATOM 1059 CA GLU A 86 8.112 -5.625 -6.629 1.00 0.00 C ATOM 1060 C GLU A 86 7.458 -5.192 -5.304 1.00 0.00 C ATOM 1061 O GLU A 86 7.670 -4.063 -4.859 1.00 0.00 O ATOM 1062 CB GLU A 86 7.083 -5.807 -7.759 1.00 0.00 C ATOM 1063 CG GLU A 86 6.662 -4.445 -8.327 1.00 0.00 C ATOM 1064 CD GLU A 86 5.568 -4.540 -9.408 1.00 0.00 C ATOM 1065 OE1 GLU A 86 5.458 -5.575 -10.115 1.00 0.00 O ATOM 1066 OE2 GLU A 86 4.818 -3.542 -9.552 1.00 0.00 O ATOM 0 H GLU A 86 8.533 -7.647 -6.971 1.00 0.00 H new ATOM 0 HA GLU A 86 8.780 -4.816 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.509 -6.422 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.208 -6.336 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.303 -3.816 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.537 -3.951 -8.749 1.00 0.00 H new ATOM 1073 N ALA A 87 6.732 -6.088 -4.624 1.00 0.00 N ATOM 1074 CA ALA A 87 6.136 -5.832 -3.305 1.00 0.00 C ATOM 1075 C ALA A 87 7.159 -5.345 -2.259 1.00 0.00 C ATOM 1076 O ALA A 87 6.898 -4.373 -1.544 1.00 0.00 O ATOM 1077 CB ALA A 87 5.403 -7.092 -2.831 1.00 0.00 C ATOM 0 H ALA A 87 6.539 -7.025 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 87 5.425 -5.013 -3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.959 -6.908 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.619 -7.346 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.110 -7.919 -2.759 1.00 0.00 H new ATOM 1083 N ALA A 88 8.346 -5.958 -2.201 1.00 0.00 N ATOM 1084 CA ALA A 88 9.417 -5.516 -1.304 1.00 0.00 C ATOM 1085 C ALA A 88 9.966 -4.112 -1.625 1.00 0.00 C ATOM 1086 O ALA A 88 10.565 -3.477 -0.759 1.00 0.00 O ATOM 1087 CB ALA A 88 10.538 -6.557 -1.308 1.00 0.00 C ATOM 0 H ALA A 88 8.590 -6.769 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 88 8.984 -5.430 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.338 -6.233 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.146 -7.515 -0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.930 -6.666 -2.319 1.00 0.00 H new ATOM 1093 N SER A 89 9.762 -3.603 -2.841 1.00 0.00 N ATOM 1094 CA SER A 89 10.137 -2.241 -3.247 1.00 0.00 C ATOM 1095 C SER A 89 9.029 -1.242 -2.899 1.00 0.00 C ATOM 1096 O SER A 89 9.313 -0.143 -2.415 1.00 0.00 O ATOM 1097 CB SER A 89 10.452 -2.224 -4.744 1.00 0.00 C ATOM 1098 OG SER A 89 11.046 -0.988 -5.098 1.00 0.00 O ATOM 0 H SER A 89 9.321 -4.136 -3.591 1.00 0.00 H new ATOM 0 HA SER A 89 11.029 -1.937 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.125 -3.045 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.538 -2.376 -5.318 1.00 0.00 H new ATOM 0 HG SER A 89 11.247 -0.984 -6.057 1.00 0.00 H new ATOM 1104 N ARG A 90 7.753 -1.637 -3.043 1.00 0.00 N ATOM 1105 CA ARG A 90 6.601 -0.807 -2.641 1.00 0.00 C ATOM 1106 C ARG A 90 6.656 -0.448 -1.150 1.00 0.00 C ATOM 1107 O ARG A 90 6.450 0.712 -0.793 1.00 0.00 O ATOM 1108 CB ARG A 90 5.263 -1.486 -2.987 1.00 0.00 C ATOM 1109 CG ARG A 90 5.022 -1.850 -4.461 1.00 0.00 C ATOM 1110 CD ARG A 90 5.194 -0.665 -5.414 1.00 0.00 C ATOM 1111 NE ARG A 90 4.953 -1.063 -6.815 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.068 -0.297 -7.885 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.360 0.971 -7.794 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.899 -0.792 -9.076 1.00 0.00 N ATOM 0 H ARG A 90 7.490 -2.539 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 90 6.664 0.119 -3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.184 -2.399 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.456 -0.827 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.712 -2.642 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.014 -2.251 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.503 0.131 -5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.202 -0.261 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 90 4.668 -2.030 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.506 1.396 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.442 1.537 -8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.675 -1.781 -9.190 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.990 -0.192 -9.895 1.00 0.00 H new ATOM 1128 N LEU A 91 6.993 -1.411 -0.282 1.00 0.00 N ATOM 1129 CA LEU A 91 7.136 -1.161 1.162 1.00 0.00 C ATOM 1130 C LEU A 91 8.351 -0.277 1.505 1.00 0.00 C ATOM 1131 O LEU A 91 8.291 0.524 2.437 1.00 0.00 O ATOM 1132 CB LEU A 91 7.101 -2.501 1.926 1.00 0.00 C ATOM 1133 CG LEU A 91 8.422 -3.287 2.036 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.293 -2.819 3.209 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.117 -4.775 2.227 1.00 0.00 C ATOM 0 H LEU A 91 7.173 -2.377 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 91 6.284 -0.569 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.741 -2.304 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.365 -3.145 1.445 1.00 0.00 H new ATOM 0 HG LEU A 91 8.974 -3.110 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.210 -3.407 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.541 -1.765 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.747 -2.952 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.051 -5.331 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.536 -4.913 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.547 -5.142 1.374 1.00 0.00 H new ATOM 1147 N GLN A 92 9.445 -0.372 0.739 1.00 0.00 N ATOM 1148 CA GLN A 92 10.636 0.474 0.910 1.00 0.00 C ATOM 1149 C GLN A 92 10.352 1.961 0.635 1.00 0.00 C ATOM 1150 O GLN A 92 10.910 2.840 1.295 1.00 0.00 O ATOM 1151 CB GLN A 92 11.790 -0.071 0.047 1.00 0.00 C ATOM 1152 CG GLN A 92 12.503 -1.239 0.743 1.00 0.00 C ATOM 1153 CD GLN A 92 13.607 -1.837 -0.129 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.722 -1.337 -0.208 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.343 -2.932 -0.808 1.00 0.00 N ATOM 0 H GLN A 92 9.531 -1.044 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 92 10.936 0.428 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.402 -0.401 -0.917 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.505 0.727 -0.154 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.931 -0.893 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.776 -2.013 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.418 -3.357 -0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.063 -3.356 -1.393 1.00 0.00 H new ATOM 1164 N GLY A 93 9.423 2.243 -0.279 1.00 0.00 N ATOM 1165 CA GLY A 93 8.947 3.596 -0.596 1.00 0.00 C ATOM 1166 C GLY A 93 8.070 4.204 0.506 1.00 0.00 C ATOM 1167 O GLY A 93 8.067 5.423 0.688 1.00 0.00 O ATOM 0 H GLY A 93 8.967 1.520 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.806 4.245 -0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.380 3.566 -1.527 1.00 0.00 H new ATOM 1171 N LEU A 94 7.358 3.375 1.282 1.00 0.00 N ATOM 1172 CA LEU A 94 6.571 3.837 2.431 1.00 0.00 C ATOM 1173 C LEU A 94 7.458 4.398 3.549 1.00 0.00 C ATOM 1174 O LEU A 94 7.089 5.391 4.166 1.00 0.00 O ATOM 1175 CB LEU A 94 5.684 2.703 2.980 1.00 0.00 C ATOM 1176 CG LEU A 94 4.258 2.672 2.420 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.522 1.475 3.020 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.489 3.941 2.803 1.00 0.00 C ATOM 0 H LEU A 94 7.312 2.367 1.130 1.00 0.00 H new ATOM 0 HA LEU A 94 5.934 4.646 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.164 1.749 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.631 2.795 4.065 1.00 0.00 H new ATOM 0 HG LEU A 94 4.315 2.602 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.505 1.440 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.044 0.556 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.491 1.573 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.480 3.893 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.436 4.020 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.003 4.814 2.400 1.00 0.00 H new ATOM 1190 N GLN A 95 8.633 3.817 3.813 1.00 0.00 N ATOM 1191 CA GLN A 95 9.517 4.303 4.885 1.00 0.00 C ATOM 1192 C GLN A 95 9.980 5.750 4.631 1.00 0.00 C ATOM 1193 O GLN A 95 10.019 6.568 5.553 1.00 0.00 O ATOM 1194 CB GLN A 95 10.701 3.334 5.075 1.00 0.00 C ATOM 1195 CG GLN A 95 11.204 3.323 6.531 1.00 0.00 C ATOM 1196 CD GLN A 95 12.079 2.106 6.848 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.820 1.587 6.024 1.00 0.00 O ATOM 1198 NE2 GLN A 95 12.032 1.596 8.064 1.00 0.00 N ATOM 0 H GLN A 95 8.996 3.012 3.303 1.00 0.00 H new ATOM 0 HA GLN A 95 8.951 4.326 5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.396 2.327 4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.516 3.622 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.773 4.233 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.348 3.335 7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.422 2.011 8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.606 0.786 8.300 1.00 0.00 H new ATOM 1207 N LYS A 96 10.250 6.089 3.362 1.00 0.00 N ATOM 1208 CA LYS A 96 10.605 7.435 2.884 1.00 0.00 C ATOM 1209 C LYS A 96 9.514 8.493 3.091 1.00 0.00 C ATOM 1210 O LYS A 96 9.856 9.645 3.356 1.00 0.00 O ATOM 1211 CB LYS A 96 11.011 7.359 1.398 1.00 0.00 C ATOM 1212 CG LYS A 96 12.489 6.986 1.192 1.00 0.00 C ATOM 1213 CD LYS A 96 13.445 8.112 1.625 1.00 0.00 C ATOM 1214 CE LYS A 96 14.877 7.809 1.171 1.00 0.00 C ATOM 1215 NZ LYS A 96 15.831 8.841 1.658 1.00 0.00 N ATOM 0 H LYS A 96 10.226 5.403 2.607 1.00 0.00 H new ATOM 0 HA LYS A 96 11.443 7.768 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.384 6.624 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.817 8.322 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.715 6.083 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.659 6.753 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.116 9.060 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.417 8.223 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.178 6.829 1.542 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.913 7.763 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.791 8.607 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.557 9.772 1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 15.813 8.867 2.698 1.00 0.00 H new ATOM 1229 N LEU A 97 8.230 8.127 3.024 1.00 0.00 N ATOM 1230 CA LEU A 97 7.104 9.020 3.306 1.00 0.00 C ATOM 1231 C LEU A 97 7.211 9.572 4.737 1.00 0.00 C ATOM 1232 O LEU A 97 7.237 10.789 4.927 1.00 0.00 O ATOM 1233 CB LEU A 97 5.801 8.247 3.028 1.00 0.00 C ATOM 1234 CG LEU A 97 4.515 8.861 3.578 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.221 10.268 3.067 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.346 7.938 3.235 1.00 0.00 C ATOM 0 H LEU A 97 7.940 7.183 2.767 1.00 0.00 H new ATOM 0 HA LEU A 97 7.113 9.896 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.693 8.137 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.904 7.244 3.441 1.00 0.00 H new ATOM 0 HG LEU A 97 4.650 8.959 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.291 10.628 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.037 10.935 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.125 10.248 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.420 8.364 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.272 7.831 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.511 6.959 3.685 1.00 0.00 H new ATOM 1248 N ILE A 98 7.332 8.690 5.736 1.00 0.00 N ATOM 1249 CA ILE A 98 7.486 9.110 7.139 1.00 0.00 C ATOM 1250 C ILE A 98 8.839 9.784 7.378 1.00 0.00 C ATOM 1251 O ILE A 98 8.890 10.799 8.062 1.00 0.00 O ATOM 1252 CB ILE A 98 7.294 7.951 8.137 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.005 7.150 7.838 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.282 8.491 9.579 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.309 5.800 7.193 1.00 0.00 C ATOM 0 H ILE A 98 7.327 7.679 5.601 1.00 0.00 H new ATOM 0 HA ILE A 98 6.691 9.834 7.320 1.00 0.00 H new ATOM 0 HB ILE A 98 8.134 7.266 8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.452 6.993 8.764 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.362 7.731 7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.146 7.664 10.276 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.228 8.990 9.788 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.464 9.202 9.695 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.376 5.271 7.000 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.838 5.957 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.930 5.207 7.865 1.00 0.00 H new ATOM 1267 N ASN A 99 9.932 9.271 6.802 1.00 0.00 N ATOM 1268 CA ASN A 99 11.273 9.845 6.971 1.00 0.00 C ATOM 1269 C ASN A 99 11.343 11.346 6.604 1.00 0.00 C ATOM 1270 O ASN A 99 12.173 12.075 7.146 1.00 0.00 O ATOM 1271 CB ASN A 99 12.262 9.009 6.144 1.00 0.00 C ATOM 1272 CG ASN A 99 13.715 9.295 6.482 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.380 10.106 5.852 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.265 8.609 7.458 1.00 0.00 N ATOM 0 H ASN A 99 9.912 8.445 6.204 1.00 0.00 H new ATOM 0 HA ASN A 99 11.539 9.803 8.027 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.059 7.951 6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.097 9.205 5.085 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.248 8.752 7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.709 7.933 7.982 1.00 0.00 H new ATOM 1281 N ASP A 100 10.452 11.821 5.725 1.00 0.00 N ATOM 1282 CA ASP A 100 10.328 13.239 5.360 1.00 0.00 C ATOM 1283 C ASP A 100 9.624 14.082 6.453 1.00 0.00 C ATOM 1284 O ASP A 100 10.150 15.112 6.878 1.00 0.00 O ATOM 1285 CB ASP A 100 9.606 13.358 4.010 1.00 0.00 C ATOM 1286 CG ASP A 100 9.985 14.664 3.294 1.00 0.00 C ATOM 1287 OD1 ASP A 100 11.113 14.746 2.749 1.00 0.00 O ATOM 1288 OD2 ASP A 100 9.161 15.609 3.262 1.00 0.00 O ATOM 0 H ASP A 100 9.785 11.221 5.239 1.00 0.00 H new ATOM 0 HA ASP A 100 11.334 13.650 5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.863 12.506 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.528 13.325 4.166 1.00 0.00 H new ATOM 1293 N SER A 101 8.454 13.638 6.937 1.00 0.00 N ATOM 1294 CA SER A 101 7.617 14.285 7.974 1.00 0.00 C ATOM 1295 C SER A 101 7.857 13.764 9.405 1.00 0.00 C ATOM 1296 O SER A 101 7.025 13.954 10.293 1.00 0.00 O ATOM 1297 CB SER A 101 6.128 14.189 7.587 1.00 0.00 C ATOM 1298 OG SER A 101 5.754 12.868 7.230 1.00 0.00 O ATOM 0 H SER A 101 8.038 12.770 6.600 1.00 0.00 H new ATOM 0 HA SER A 101 7.923 15.331 8.003 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.514 14.526 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.927 14.861 6.752 1.00 0.00 H new ATOM 0 HG SER A 101 4.803 12.850 6.993 1.00 0.00 H new ATOM 1304 N VAL A 102 8.985 13.106 9.674 1.00 0.00 N ATOM 1305 CA VAL A 102 9.292 12.452 10.960 1.00 0.00 C ATOM 1306 C VAL A 102 9.239 13.400 12.164 1.00 0.00 C ATOM 1307 O VAL A 102 8.658 13.061 13.195 1.00 0.00 O ATOM 1308 CB VAL A 102 10.645 11.716 10.883 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.817 12.638 10.528 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.964 11.010 12.202 1.00 0.00 C ATOM 0 H VAL A 102 9.735 13.007 8.989 1.00 0.00 H new ATOM 0 HA VAL A 102 8.500 11.723 11.130 1.00 0.00 H new ATOM 0 HB VAL A 102 10.532 10.988 10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.738 12.057 10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.637 13.097 9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.910 13.417 11.285 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.923 10.499 12.119 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.013 11.745 13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.184 10.282 12.423 1.00 0.00 H new ATOM 1320 N PHE A 103 9.797 14.604 12.029 1.00 0.00 N ATOM 1321 CA PHE A 103 9.780 15.646 13.064 1.00 0.00 C ATOM 1322 C PHE A 103 8.424 16.367 13.165 1.00 0.00 C ATOM 1323 O PHE A 103 8.215 17.178 14.070 1.00 0.00 O ATOM 1324 CB PHE A 103 10.909 16.647 12.781 1.00 0.00 C ATOM 1325 CG PHE A 103 12.274 16.015 12.565 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.803 15.121 13.519 1.00 0.00 C ATOM 1327 CD2 PHE A 103 13.004 16.293 11.393 1.00 0.00 C ATOM 1328 CE1 PHE A 103 14.053 14.514 13.301 1.00 0.00 C ATOM 1329 CE2 PHE A 103 14.256 15.687 11.179 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.780 14.797 12.132 1.00 0.00 C ATOM 0 H PHE A 103 10.284 14.891 11.180 1.00 0.00 H new ATOM 0 HA PHE A 103 9.937 15.164 14.029 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.648 17.229 11.897 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.975 17.346 13.615 1.00 0.00 H new ATOM 0 HD1 PHE A 103 12.247 14.902 14.419 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.602 16.973 10.657 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.455 13.829 14.033 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.815 15.906 10.281 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.740 14.331 11.966 1.00 0.00 H new ATOM 1340 N PHE A 104 7.502 16.070 12.244 1.00 0.00 N ATOM 1341 CA PHE A 104 6.141 16.619 12.216 1.00 0.00 C ATOM 1342 C PHE A 104 5.140 15.664 12.890 1.00 0.00 C ATOM 1343 O PHE A 104 4.348 16.089 13.736 1.00 0.00 O ATOM 1344 CB PHE A 104 5.754 16.953 10.764 1.00 0.00 C ATOM 1345 CG PHE A 104 4.265 17.027 10.520 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.563 18.221 10.771 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.575 15.874 10.101 1.00 0.00 C ATOM 1348 CE1 PHE A 104 2.166 18.250 10.621 1.00 0.00 C ATOM 1349 CE2 PHE A 104 2.184 15.905 9.942 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.486 17.088 10.219 1.00 0.00 C ATOM 0 H PHE A 104 7.686 15.424 11.476 1.00 0.00 H new ATOM 0 HA PHE A 104 6.111 17.543 12.794 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.203 17.908 10.491 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.182 16.199 10.103 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.095 19.110 11.077 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.120 14.963 9.902 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.618 19.161 10.814 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.654 15.025 9.609 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.411 17.107 10.122 1.00 0.00 H new ATOM 1360 N LEU A 105 5.180 14.378 12.532 1.00 0.00 N ATOM 1361 CA LEU A 105 4.327 13.332 13.095 1.00 0.00 C ATOM 1362 C LEU A 105 4.562 13.159 14.606 1.00 0.00 C ATOM 1363 O LEU A 105 5.704 13.075 15.065 1.00 0.00 O ATOM 1364 CB LEU A 105 4.591 12.011 12.351 1.00 0.00 C ATOM 1365 CG LEU A 105 4.134 11.981 10.880 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.474 10.617 10.293 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.636 12.213 10.707 1.00 0.00 C ATOM 0 H LEU A 105 5.825 14.028 11.823 1.00 0.00 H new ATOM 0 HA LEU A 105 3.285 13.625 12.965 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.660 11.801 12.387 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.089 11.205 12.887 1.00 0.00 H new ATOM 0 HG LEU A 105 4.652 12.792 10.369 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.156 10.580 9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.550 10.454 10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.959 9.839 10.857 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.383 12.179 9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.084 11.437 11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.370 13.189 11.113 1.00 0.00 H new ATOM 1379 N ALA A 106 3.474 13.099 15.379 1.00 0.00 N ATOM 1380 CA ALA A 106 3.525 12.831 16.817 1.00 0.00 C ATOM 1381 C ALA A 106 4.101 11.427 17.090 1.00 0.00 C ATOM 1382 O ALA A 106 3.989 10.540 16.242 1.00 0.00 O ATOM 1383 CB ALA A 106 2.104 12.954 17.386 1.00 0.00 C ATOM 0 H ALA A 106 2.528 13.236 15.022 1.00 0.00 H new ATOM 0 HA ALA A 106 4.180 13.554 17.303 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.123 12.757 18.458 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.727 13.961 17.209 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.452 12.231 16.896 1.00 0.00 H new ATOM 1389 N ALA A 107 4.629 11.184 18.295 1.00 0.00 N ATOM 1390 CA ALA A 107 5.153 9.871 18.695 1.00 0.00 C ATOM 1391 C ALA A 107 4.132 8.728 18.494 1.00 0.00 C ATOM 1392 O ALA A 107 4.506 7.611 18.137 1.00 0.00 O ATOM 1393 CB ALA A 107 5.630 9.960 20.151 1.00 0.00 C ATOM 0 H ALA A 107 4.706 11.894 19.023 1.00 0.00 H new ATOM 0 HA ALA A 107 5.992 9.619 18.046 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.023 8.993 20.465 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.414 10.713 20.232 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.793 10.237 20.792 1.00 0.00 H new ATOM 1399 N TYR A 108 2.839 9.028 18.664 1.00 0.00 N ATOM 1400 CA TYR A 108 1.713 8.126 18.421 1.00 0.00 C ATOM 1401 C TYR A 108 1.662 7.683 16.948 1.00 0.00 C ATOM 1402 O TYR A 108 1.786 6.499 16.635 1.00 0.00 O ATOM 1403 CB TYR A 108 0.422 8.840 18.860 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.863 8.150 18.438 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -1.262 6.953 19.063 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.654 8.705 17.412 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -2.450 6.309 18.660 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.840 8.066 17.007 1.00 0.00 C ATOM 1409 CZ TYR A 108 -3.242 6.864 17.630 1.00 0.00 C ATOM 1410 OH TYR A 108 -4.389 6.236 17.249 1.00 0.00 O ATOM 0 H TYR A 108 2.539 9.947 18.989 1.00 0.00 H new ATOM 0 HA TYR A 108 1.831 7.213 19.004 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.427 8.935 19.946 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.426 9.851 18.452 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.658 6.528 19.851 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.348 9.624 16.935 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.755 5.390 19.139 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.443 8.494 16.220 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.818 6.746 16.530 1.00 0.00 H new ATOM 1420 N ASP A 109 1.510 8.643 16.034 1.00 0.00 N ATOM 1421 CA ASP A 109 1.371 8.419 14.589 1.00 0.00 C ATOM 1422 C ASP A 109 2.645 7.846 13.949 1.00 0.00 C ATOM 1423 O ASP A 109 2.593 6.983 13.072 1.00 0.00 O ATOM 1424 CB ASP A 109 1.005 9.750 13.919 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.171 9.610 12.934 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.185 8.651 12.129 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.096 10.456 12.981 1.00 0.00 O ATOM 0 H ASP A 109 1.479 9.631 16.285 1.00 0.00 H new ATOM 0 HA ASP A 109 0.586 7.678 14.439 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.748 10.481 14.686 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.875 10.138 13.389 1.00 0.00 H new ATOM 1432 N LEU A 110 3.808 8.300 14.426 1.00 0.00 N ATOM 1433 CA LEU A 110 5.122 7.809 14.027 1.00 0.00 C ATOM 1434 C LEU A 110 5.248 6.306 14.311 1.00 0.00 C ATOM 1435 O LEU A 110 5.569 5.532 13.404 1.00 0.00 O ATOM 1436 CB LEU A 110 6.187 8.666 14.741 1.00 0.00 C ATOM 1437 CG LEU A 110 7.586 8.524 14.127 1.00 0.00 C ATOM 1438 CD1 LEU A 110 7.656 9.244 12.782 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.647 9.153 15.025 1.00 0.00 C ATOM 0 H LEU A 110 3.858 9.043 15.123 1.00 0.00 H new ATOM 0 HA LEU A 110 5.272 7.910 12.952 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.886 9.713 14.705 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.228 8.382 15.793 1.00 0.00 H new ATOM 0 HG LEU A 110 7.772 7.457 14.009 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.655 9.133 12.361 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.925 8.811 12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.438 10.302 12.924 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.628 9.037 14.565 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.430 10.213 15.156 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.641 8.658 15.996 1.00 0.00 H new ATOM 1451 N ARG A 111 4.925 5.863 15.536 1.00 0.00 N ATOM 1452 CA ARG A 111 4.909 4.430 15.873 1.00 0.00 C ATOM 1453 C ARG A 111 3.866 3.631 15.096 1.00 0.00 C ATOM 1454 O ARG A 111 4.137 2.498 14.702 1.00 0.00 O ATOM 1455 CB ARG A 111 4.791 4.208 17.391 1.00 0.00 C ATOM 1456 CG ARG A 111 6.095 4.577 18.125 1.00 0.00 C ATOM 1457 CD ARG A 111 6.116 4.059 19.570 1.00 0.00 C ATOM 1458 NE ARG A 111 6.226 2.585 19.612 1.00 0.00 N ATOM 1459 CZ ARG A 111 6.100 1.791 20.661 1.00 0.00 C ATOM 1460 NH1 ARG A 111 5.873 2.252 21.858 1.00 0.00 N ATOM 1461 NH2 ARG A 111 6.200 0.500 20.521 1.00 0.00 N ATOM 0 H ARG A 111 4.671 6.477 16.310 1.00 0.00 H new ATOM 0 HA ARG A 111 5.874 4.036 15.553 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.970 4.808 17.784 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.545 3.164 17.588 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.945 4.165 17.581 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.214 5.661 18.128 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.955 4.504 20.106 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.207 4.373 20.084 1.00 0.00 H new ATOM 0 HE ARG A 111 6.423 2.125 18.723 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.787 3.257 22.010 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.782 1.608 22.644 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.376 0.099 19.600 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.102 -0.110 21.333 1.00 0.00 H new ATOM 1475 N GLN A 112 2.718 4.236 14.808 1.00 0.00 N ATOM 1476 CA GLN A 112 1.644 3.617 14.013 1.00 0.00 C ATOM 1477 C GLN A 112 2.088 3.321 12.569 1.00 0.00 C ATOM 1478 O GLN A 112 1.960 2.183 12.110 1.00 0.00 O ATOM 1479 CB GLN A 112 0.374 4.487 14.035 1.00 0.00 C ATOM 1480 CG GLN A 112 -0.445 4.344 15.330 1.00 0.00 C ATOM 1481 CD GLN A 112 -1.161 2.996 15.448 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -1.742 2.473 14.505 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.168 2.380 16.611 1.00 0.00 N ATOM 0 H GLN A 112 2.497 5.182 15.120 1.00 0.00 H new ATOM 0 HA GLN A 112 1.411 2.659 14.477 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.657 5.532 13.907 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.255 4.220 13.185 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.217 4.472 16.186 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -1.183 5.145 15.375 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.691 2.796 17.411 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.650 1.487 16.712 1.00 0.00 H new ATOM 1492 N GLY A 113 2.643 4.309 11.853 1.00 0.00 N ATOM 1493 CA GLY A 113 3.119 4.142 10.479 1.00 0.00 C ATOM 1494 C GLY A 113 4.259 3.126 10.367 1.00 0.00 C ATOM 1495 O GLY A 113 4.241 2.261 9.494 1.00 0.00 O ATOM 0 H GLY A 113 2.774 5.253 12.217 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.290 3.822 9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.457 5.105 10.097 1.00 0.00 H new ATOM 1499 N GLN A 114 5.253 3.198 11.258 1.00 0.00 N ATOM 1500 CA GLN A 114 6.383 2.262 11.246 1.00 0.00 C ATOM 1501 C GLN A 114 5.968 0.814 11.586 1.00 0.00 C ATOM 1502 O GLN A 114 6.508 -0.120 10.988 1.00 0.00 O ATOM 1503 CB GLN A 114 7.515 2.769 12.160 1.00 0.00 C ATOM 1504 CG GLN A 114 8.491 3.746 11.469 1.00 0.00 C ATOM 1505 CD GLN A 114 8.050 5.200 11.423 1.00 0.00 C ATOM 1506 OE1 GLN A 114 7.041 5.536 10.654 1.00 0.00 O flip ATOM 1507 NE2 GLN A 114 8.652 6.075 12.027 1.00 0.00 N flip ATOM 0 H GLN A 114 5.298 3.897 11.999 1.00 0.00 H new ATOM 0 HA GLN A 114 6.761 2.226 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.075 3.263 13.026 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.077 1.913 12.533 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.452 3.693 11.982 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.656 3.403 10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.438 5.831 12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.368 7.050 11.929 1.00 0.00 H new ATOM 1516 N GLU A 115 4.990 0.589 12.477 1.00 0.00 N ATOM 1517 CA GLU A 115 4.479 -0.767 12.761 1.00 0.00 C ATOM 1518 C GLU A 115 3.814 -1.435 11.552 1.00 0.00 C ATOM 1519 O GLU A 115 3.971 -2.635 11.316 1.00 0.00 O ATOM 1520 CB GLU A 115 3.509 -0.780 13.947 1.00 0.00 C ATOM 1521 CG GLU A 115 4.222 -0.908 15.300 1.00 0.00 C ATOM 1522 CD GLU A 115 3.244 -1.265 16.441 1.00 0.00 C ATOM 1523 OE1 GLU A 115 2.134 -0.685 16.525 1.00 0.00 O ATOM 1524 OE2 GLU A 115 3.587 -2.139 17.276 1.00 0.00 O ATOM 0 H GLU A 115 4.535 1.327 13.015 1.00 0.00 H new ATOM 0 HA GLU A 115 5.365 -1.349 13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.920 0.137 13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.811 -1.609 13.830 1.00 0.00 H new ATOM 0 HG2 GLU A 115 4.994 -1.675 15.231 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.725 0.030 15.534 1.00 0.00 H new ATOM 1531 N ALA A 116 3.094 -0.645 10.764 1.00 0.00 N ATOM 1532 CA ALA A 116 2.424 -1.097 9.550 1.00 0.00 C ATOM 1533 C ALA A 116 3.413 -1.633 8.497 1.00 0.00 C ATOM 1534 O ALA A 116 3.157 -2.699 7.938 1.00 0.00 O ATOM 1535 CB ALA A 116 1.536 0.027 9.029 1.00 0.00 C ATOM 0 H ALA A 116 2.957 0.348 10.955 1.00 0.00 H new ATOM 0 HA ALA A 116 1.790 -1.952 9.786 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.030 -0.300 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 116 0.794 0.285 9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.148 0.902 8.808 1.00 0.00 H new ATOM 1541 N LEU A 117 4.556 -0.972 8.254 1.00 0.00 N ATOM 1542 CA LEU A 117 5.588 -1.496 7.337 1.00 0.00 C ATOM 1543 C LEU A 117 6.031 -2.904 7.755 1.00 0.00 C ATOM 1544 O LEU A 117 6.160 -3.787 6.910 1.00 0.00 O ATOM 1545 CB LEU A 117 6.841 -0.603 7.301 1.00 0.00 C ATOM 1546 CG LEU A 117 6.824 0.494 6.230 1.00 0.00 C ATOM 1547 CD1 LEU A 117 5.958 1.671 6.658 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.243 0.993 6.009 1.00 0.00 C ATOM 0 H LEU A 117 4.791 -0.075 8.678 1.00 0.00 H new ATOM 0 HA LEU A 117 5.129 -1.516 6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.963 -0.135 8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.714 -1.235 7.139 1.00 0.00 H new ATOM 0 HG LEU A 117 6.412 0.071 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.967 2.432 5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.936 1.330 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.351 2.095 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.240 1.774 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.636 1.397 6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.872 0.167 5.678 1.00 0.00 H new ATOM 1560 N ALA A 118 6.263 -3.112 9.054 1.00 0.00 N ATOM 1561 CA ALA A 118 6.681 -4.402 9.607 1.00 0.00 C ATOM 1562 C ALA A 118 5.628 -5.496 9.367 1.00 0.00 C ATOM 1563 O ALA A 118 5.968 -6.632 9.033 1.00 0.00 O ATOM 1564 CB ALA A 118 6.944 -4.249 11.106 1.00 0.00 C ATOM 0 H ALA A 118 6.165 -2.381 9.759 1.00 0.00 H new ATOM 0 HA ALA A 118 7.594 -4.710 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.255 -5.208 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.732 -3.512 11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.032 -3.918 11.603 1.00 0.00 H new ATOM 1570 N ARG A 119 4.343 -5.140 9.502 1.00 0.00 N ATOM 1571 CA ARG A 119 3.200 -6.033 9.276 1.00 0.00 C ATOM 1572 C ARG A 119 3.191 -6.601 7.851 1.00 0.00 C ATOM 1573 O ARG A 119 3.007 -7.803 7.666 1.00 0.00 O ATOM 1574 CB ARG A 119 1.904 -5.277 9.617 1.00 0.00 C ATOM 1575 CG ARG A 119 0.689 -6.202 9.793 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.503 -5.456 10.413 1.00 0.00 C ATOM 1577 NE ARG A 119 -0.287 -5.178 11.850 1.00 0.00 N ATOM 1578 CZ ARG A 119 -0.923 -4.308 12.615 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -1.875 -3.544 12.156 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -0.616 -4.189 13.875 1.00 0.00 N ATOM 0 H ARG A 119 4.064 -4.199 9.778 1.00 0.00 H new ATOM 0 HA ARG A 119 3.283 -6.899 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.054 -4.708 10.534 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.693 -4.557 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.399 -6.612 8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 119 0.962 -7.045 10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -0.662 -4.518 9.881 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.408 -6.050 10.289 1.00 0.00 H new ATOM 0 HE ARG A 119 0.443 -5.725 12.307 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.151 -3.606 11.176 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.343 -2.884 12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 119 0.120 -4.769 14.278 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.111 -3.515 14.459 1.00 0.00 H new ATOM 1594 N LEU A 120 3.439 -5.747 6.854 1.00 0.00 N ATOM 1595 CA LEU A 120 3.573 -6.145 5.445 1.00 0.00 C ATOM 1596 C LEU A 120 4.890 -6.900 5.179 1.00 0.00 C ATOM 1597 O LEU A 120 4.889 -7.923 4.493 1.00 0.00 O ATOM 1598 CB LEU A 120 3.462 -4.919 4.516 1.00 0.00 C ATOM 1599 CG LEU A 120 2.306 -3.942 4.801 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.244 -2.866 3.722 1.00 0.00 C ATOM 1601 CD2 LEU A 120 0.932 -4.612 4.895 1.00 0.00 C ATOM 0 H LEU A 120 3.554 -4.744 7.002 1.00 0.00 H new ATOM 0 HA LEU A 120 2.752 -6.828 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.399 -4.364 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.362 -5.276 3.491 1.00 0.00 H new ATOM 0 HG LEU A 120 2.526 -3.511 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.422 -2.183 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.182 -2.312 3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.083 -3.334 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.172 -3.857 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.705 -5.111 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.939 -5.345 5.702 1.00 0.00 H new ATOM 1613 N GLN A 121 6.008 -6.434 5.755 1.00 0.00 N ATOM 1614 CA GLN A 121 7.323 -7.088 5.671 1.00 0.00 C ATOM 1615 C GLN A 121 7.298 -8.537 6.164 1.00 0.00 C ATOM 1616 O GLN A 121 7.957 -9.386 5.571 1.00 0.00 O ATOM 1617 CB GLN A 121 8.374 -6.310 6.481 1.00 0.00 C ATOM 1618 CG GLN A 121 8.983 -5.156 5.686 1.00 0.00 C ATOM 1619 CD GLN A 121 10.088 -4.448 6.466 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.182 -4.963 6.657 1.00 0.00 O ATOM 1621 NE2 GLN A 121 9.859 -3.242 6.938 1.00 0.00 N ATOM 0 H GLN A 121 6.024 -5.574 6.304 1.00 0.00 H new ATOM 0 HA GLN A 121 7.588 -7.092 4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.914 -5.920 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.166 -6.991 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.387 -5.535 4.747 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.202 -4.439 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.953 -2.799 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 121 10.588 -2.750 7.455 1.00 0.00 H new ATOM 1630 N ALA A 122 6.535 -8.840 7.216 1.00 0.00 N ATOM 1631 CA ALA A 122 6.374 -10.198 7.722 1.00 0.00 C ATOM 1632 C ALA A 122 5.760 -11.137 6.674 1.00 0.00 C ATOM 1633 O ALA A 122 6.354 -12.169 6.367 1.00 0.00 O ATOM 1634 CB ALA A 122 5.549 -10.150 9.013 1.00 0.00 C ATOM 0 H ALA A 122 6.009 -8.142 7.742 1.00 0.00 H new ATOM 0 HA ALA A 122 7.356 -10.615 7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.422 -11.161 9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.066 -9.539 9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.571 -9.716 8.804 1.00 0.00 H new ATOM 1640 N ALA A 123 4.624 -10.771 6.072 1.00 0.00 N ATOM 1641 CA ALA A 123 4.028 -11.553 4.987 1.00 0.00 C ATOM 1642 C ALA A 123 5.009 -11.738 3.810 1.00 0.00 C ATOM 1643 O ALA A 123 5.149 -12.846 3.295 1.00 0.00 O ATOM 1644 CB ALA A 123 2.709 -10.902 4.563 1.00 0.00 C ATOM 0 H ALA A 123 4.097 -9.933 6.320 1.00 0.00 H new ATOM 0 HA ALA A 123 3.811 -12.559 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.261 -11.480 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.027 -10.876 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.899 -9.885 4.219 1.00 0.00 H new ATOM 1650 N LEU A 124 5.747 -10.686 3.432 1.00 0.00 N ATOM 1651 CA LEU A 124 6.794 -10.733 2.405 1.00 0.00 C ATOM 1652 C LEU A 124 7.889 -11.760 2.773 1.00 0.00 C ATOM 1653 O LEU A 124 8.190 -12.667 1.994 1.00 0.00 O ATOM 1654 CB LEU A 124 7.341 -9.299 2.203 1.00 0.00 C ATOM 1655 CG LEU A 124 7.943 -8.970 0.825 1.00 0.00 C ATOM 1656 CD1 LEU A 124 9.137 -9.849 0.459 1.00 0.00 C ATOM 1657 CD2 LEU A 124 6.893 -9.017 -0.283 1.00 0.00 C ATOM 0 H LEU A 124 5.630 -9.759 3.841 1.00 0.00 H new ATOM 0 HA LEU A 124 6.385 -11.079 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.530 -8.597 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.105 -9.118 2.959 1.00 0.00 H new ATOM 0 HG LEU A 124 8.313 -7.948 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.512 -9.563 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 124 9.926 -9.718 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.827 -10.894 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.361 -8.779 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.459 -10.016 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.109 -8.290 -0.072 1.00 0.00 H new ATOM 1669 N ALA A 125 8.456 -11.660 3.981 1.00 0.00 N ATOM 1670 CA ALA A 125 9.521 -12.538 4.464 1.00 0.00 C ATOM 1671 C ALA A 125 9.068 -13.991 4.719 1.00 0.00 C ATOM 1672 O ALA A 125 9.897 -14.897 4.748 1.00 0.00 O ATOM 1673 CB ALA A 125 10.130 -11.906 5.723 1.00 0.00 C ATOM 0 H ALA A 125 8.180 -10.952 4.661 1.00 0.00 H new ATOM 0 HA ALA A 125 10.271 -12.623 3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.928 -12.545 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.536 -10.925 5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.359 -11.799 6.486 1.00 0.00 H new ATOM 1679 N GLU A 126 7.767 -14.231 4.877 1.00 0.00 N ATOM 1680 CA GLU A 126 7.162 -15.561 5.022 1.00 0.00 C ATOM 1681 C GLU A 126 6.890 -16.196 3.647 1.00 0.00 C ATOM 1682 O GLU A 126 7.191 -17.375 3.443 1.00 0.00 O ATOM 1683 CB GLU A 126 5.872 -15.440 5.852 1.00 0.00 C ATOM 1684 CG GLU A 126 6.181 -15.199 7.342 1.00 0.00 C ATOM 1685 CD GLU A 126 4.967 -14.696 8.156 1.00 0.00 C ATOM 1686 OE1 GLU A 126 3.798 -14.877 7.731 1.00 0.00 O ATOM 1687 OE2 GLU A 126 5.176 -14.143 9.264 1.00 0.00 O ATOM 0 H GLU A 126 7.078 -13.480 4.909 1.00 0.00 H new ATOM 0 HA GLU A 126 7.857 -16.219 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.266 -14.620 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.282 -16.350 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.543 -16.127 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.988 -14.471 7.423 1.00 0.00 H new ATOM 1694 N ARG A 127 6.394 -15.417 2.670 1.00 0.00 N ATOM 1695 CA ARG A 127 6.178 -15.844 1.271 1.00 0.00 C ATOM 1696 C ARG A 127 7.467 -16.274 0.566 1.00 0.00 C ATOM 1697 O ARG A 127 7.411 -17.161 -0.287 1.00 0.00 O ATOM 1698 CB ARG A 127 5.504 -14.713 0.470 1.00 0.00 C ATOM 1699 CG ARG A 127 4.017 -14.471 0.788 1.00 0.00 C ATOM 1700 CD ARG A 127 3.050 -15.398 0.035 1.00 0.00 C ATOM 1701 NE ARG A 127 2.912 -16.726 0.668 1.00 0.00 N ATOM 1702 CZ ARG A 127 2.113 -17.703 0.277 1.00 0.00 C ATOM 1703 NH1 ARG A 127 1.363 -17.601 -0.785 1.00 0.00 N ATOM 1704 NH2 ARG A 127 2.042 -18.814 0.953 1.00 0.00 N ATOM 0 H ARG A 127 6.124 -14.447 2.833 1.00 0.00 H new ATOM 0 HA ARG A 127 5.529 -16.719 1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.051 -13.788 0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.599 -14.938 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.862 -14.596 1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.770 -13.437 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.070 -14.924 -0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.400 -15.525 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 127 3.491 -16.906 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.382 -16.747 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.758 -18.375 -1.058 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.607 -18.937 1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.422 -19.562 0.642 1.00 0.00 H new ATOM 1718 N ARG A 128 8.631 -15.717 0.937 1.00 0.00 N ATOM 1719 CA ARG A 128 9.941 -16.088 0.354 1.00 0.00 C ATOM 1720 C ARG A 128 10.207 -17.591 0.412 1.00 0.00 C ATOM 1721 O ARG A 128 10.673 -18.161 -0.564 1.00 0.00 O ATOM 1722 CB ARG A 128 11.088 -15.260 0.975 1.00 0.00 C ATOM 1723 CG ARG A 128 11.853 -15.884 2.163 1.00 0.00 C ATOM 1724 CD ARG A 128 13.059 -15.059 2.650 1.00 0.00 C ATOM 1725 NE ARG A 128 12.741 -13.638 2.914 1.00 0.00 N ATOM 1726 CZ ARG A 128 12.923 -12.610 2.101 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.413 -12.755 0.903 1.00 0.00 N ATOM 1728 NH2 ARG A 128 12.609 -11.401 2.471 1.00 0.00 N ATOM 0 H ARG A 128 8.696 -14.993 1.653 1.00 0.00 H new ATOM 0 HA ARG A 128 9.900 -15.837 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.809 -15.041 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.675 -14.306 1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.161 -16.018 2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 128 12.200 -16.876 1.874 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.452 -15.510 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.850 -15.112 1.902 1.00 0.00 H new ATOM 0 HE ARG A 128 12.336 -13.427 3.826 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.669 -13.683 0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.540 -11.941 0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.217 -11.237 3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.755 -10.618 1.833 1.00 0.00 H new