USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 871 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 Set 1.1: A 76 THR OG1 : rot 118:sc= 0.611 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.43 K(o=-1.7,f=-5.2!) USER MOD Set 1.3: A 92 ASN : amide:sc= -1.89 K(o=-1.7,f=-0.86) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.294 K(o=-1.4,f=-4!) USER MOD Set 2.2: A 81 GLN : amide:sc= -1.69 K(o=-1.4,f=-6!) USER MOD Set 3.1: A 34 SER OG : rot 1:sc= -1.49! USER MOD Set 3.2: A 53 LYS NZ :NH3+ 165:sc= -0.403 (180deg=-1.1) USER MOD Set 4.1: A 28 THR OG1 : rot -179:sc= -1.39 USER MOD Set 4.2: A 59 GLN : amide:sc= -1.59 K(o=-3,f=1.8) USER MOD Set 5.1: A 7 CYS SG : rot 120:sc= -1.17 USER MOD Set 5.2: A 101 GLN : amide:sc= -3.44! K(o=-4.6!,f=-2.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.113 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -2:sc= 0.73! USER MOD Single : A 9 SER OG : rot -117:sc= 0.333 USER MOD Single : A 12 THR OG1 : rot 180:sc= -2.19 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 110:sc= -1.62! USER MOD Single : A 20 ASN : amide:sc= -0.566 K(o=-0.57,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3.11 K(o=-3.1,f=-1.7) USER MOD Single : A 37 GLN : amide:sc= -4.08! C(o=-4.1!,f=-2.2!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -3.36 K(o=-3.4,f=-1.9) USER MOD Single : A 41 ASN : amide:sc= -4.39 K(o=-4.4,f=-11!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.096) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -145:sc= -1.77 (180deg=-4.54!) USER MOD Single : A 55 GLN : amide:sc= -2.26 K(o=-2.3,f=-4.9!) USER MOD Single : A 58 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.5!) USER MOD Single : A 63 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.4!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.0238 (180deg=-0.571) USER MOD Single : A 72 TYR OH : rot -158:sc= 1.05 USER MOD Single : A 74 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.59) USER MOD Single : A 80 HIS : no HE2:sc= -9.25! C(o=-9.3!,f=-9.6!) USER MOD Single : A 87 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.13) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -124:sc= -13.4! (180deg=-19.9!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.829 16.479 7.218 1.00 0.00 N ATOM 2 CA MET A 1 10.596 15.694 6.946 1.00 0.00 C ATOM 3 C MET A 1 10.733 14.262 7.450 1.00 0.00 C ATOM 4 O MET A 1 11.836 13.718 7.517 1.00 0.00 O ATOM 5 CB MET A 1 10.338 15.701 5.439 1.00 0.00 C ATOM 6 CG MET A 1 8.878 15.491 5.071 1.00 0.00 C ATOM 7 SD MET A 1 8.542 13.822 4.475 1.00 0.00 S ATOM 8 CE MET A 1 8.504 14.095 2.706 1.00 0.00 C ATOM 0 H1 MET A 1 11.708 17.450 6.864 1.00 0.00 H new ATOM 0 H2 MET A 1 12.006 16.503 8.243 1.00 0.00 H new ATOM 0 H3 MET A 1 12.637 16.034 6.737 1.00 0.00 H new ATOM 0 HA MET A 1 9.757 16.149 7.473 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.675 16.651 5.025 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.938 14.920 4.972 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.255 15.693 5.943 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.594 16.210 4.303 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.306 13.152 2.197 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.718 14.810 2.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.466 14.489 2.378 1.00 0.00 H new ATOM 20 N SER A 2 9.606 13.654 7.804 1.00 0.00 N ATOM 21 CA SER A 2 9.601 12.283 8.302 1.00 0.00 C ATOM 22 C SER A 2 10.073 11.311 7.225 1.00 0.00 C ATOM 23 O SER A 2 9.358 11.044 6.260 1.00 0.00 O ATOM 24 CB SER A 2 8.200 11.896 8.777 1.00 0.00 C ATOM 25 OG SER A 2 7.205 12.628 8.084 1.00 0.00 O ATOM 0 H SER A 2 8.684 14.089 7.755 1.00 0.00 H new ATOM 0 HA SER A 2 10.291 12.226 9.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.043 10.828 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.112 12.081 9.848 1.00 0.00 H new ATOM 0 HG SER A 2 6.319 12.360 8.405 1.00 0.00 H new ATOM 31 N GLU A 3 11.283 10.784 7.398 1.00 0.00 N ATOM 32 CA GLU A 3 11.854 9.839 6.441 1.00 0.00 C ATOM 33 C GLU A 3 11.777 10.385 5.019 1.00 0.00 C ATOM 34 O GLU A 3 11.470 11.558 4.808 1.00 0.00 O ATOM 35 CB GLU A 3 11.130 8.492 6.526 1.00 0.00 C ATOM 36 CG GLU A 3 10.924 7.996 7.951 1.00 0.00 C ATOM 37 CD GLU A 3 9.807 8.720 8.674 1.00 0.00 C ATOM 38 OE1 GLU A 3 8.635 8.323 8.504 1.00 0.00 O ATOM 39 OE2 GLU A 3 10.103 9.681 9.414 1.00 0.00 O ATOM 0 H GLU A 3 11.887 10.995 8.192 1.00 0.00 H new ATOM 0 HA GLU A 3 12.904 9.695 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.160 8.580 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.700 7.747 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.704 6.929 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.851 8.119 8.510 1.00 0.00 H new ATOM 46 N THR A 4 12.061 9.525 4.047 1.00 0.00 N ATOM 47 CA THR A 4 12.027 9.920 2.642 1.00 0.00 C ATOM 48 C THR A 4 11.004 9.096 1.866 1.00 0.00 C ATOM 49 O THR A 4 11.236 7.925 1.565 1.00 0.00 O ATOM 50 CB THR A 4 13.413 9.756 2.014 1.00 0.00 C ATOM 51 OG1 THR A 4 14.366 10.557 2.689 1.00 0.00 O ATOM 52 CG2 THR A 4 13.456 10.130 0.547 1.00 0.00 C ATOM 0 H THR A 4 12.317 8.550 4.205 1.00 0.00 H new ATOM 0 HA THR A 4 11.732 10.968 2.592 1.00 0.00 H new ATOM 0 HB THR A 4 13.648 8.696 2.108 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.246 10.438 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.467 9.990 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.767 9.496 -0.011 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.165 11.174 0.429 1.00 0.00 H new ATOM 60 N VAL A 5 9.873 9.715 1.539 1.00 0.00 N ATOM 61 CA VAL A 5 8.821 9.035 0.793 1.00 0.00 C ATOM 62 C VAL A 5 9.335 8.587 -0.576 1.00 0.00 C ATOM 63 O VAL A 5 10.297 9.147 -1.101 1.00 0.00 O ATOM 64 CB VAL A 5 7.584 9.942 0.609 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.574 9.306 -0.335 1.00 0.00 C ATOM 66 CG2 VAL A 5 6.939 10.239 1.955 1.00 0.00 C ATOM 0 H VAL A 5 9.663 10.684 1.779 1.00 0.00 H new ATOM 0 HA VAL A 5 8.525 8.160 1.371 1.00 0.00 H new ATOM 0 HB VAL A 5 7.916 10.880 0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.714 9.966 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.037 9.146 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.247 8.349 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.069 10.879 1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.628 9.305 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.658 10.746 2.599 1.00 0.00 H new ATOM 76 N ILE A 6 8.692 7.570 -1.144 1.00 0.00 N ATOM 77 CA ILE A 6 9.092 7.046 -2.446 1.00 0.00 C ATOM 78 C ILE A 6 8.132 7.479 -3.547 1.00 0.00 C ATOM 79 O ILE A 6 8.524 8.164 -4.492 1.00 0.00 O ATOM 80 CB ILE A 6 9.169 5.506 -2.448 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.592 4.985 -1.068 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.125 5.035 -3.532 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.404 3.704 -1.107 1.00 0.00 C ATOM 0 H ILE A 6 7.894 7.094 -0.724 1.00 0.00 H new ATOM 0 HA ILE A 6 10.082 7.458 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 6 8.180 5.102 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.175 5.756 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.699 4.817 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.173 3.946 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.770 5.377 -4.504 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.118 5.443 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.661 3.405 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.818 2.916 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.317 3.869 -1.679 1.00 0.00 H new ATOM 95 N CYS A 7 6.875 7.065 -3.430 1.00 0.00 N ATOM 96 CA CYS A 7 5.867 7.399 -4.428 1.00 0.00 C ATOM 97 C CYS A 7 4.530 7.736 -3.778 1.00 0.00 C ATOM 98 O CYS A 7 4.411 7.749 -2.551 1.00 0.00 O ATOM 99 CB CYS A 7 5.697 6.239 -5.409 1.00 0.00 C ATOM 100 SG CYS A 7 6.096 6.658 -7.120 1.00 0.00 S ATOM 0 H CYS A 7 6.531 6.498 -2.655 1.00 0.00 H new ATOM 0 HA CYS A 7 6.208 8.282 -4.968 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.332 5.412 -5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.667 5.886 -5.363 1.00 0.00 H new ATOM 0 HG CYS A 7 7.066 5.900 -7.537 1.00 0.00 H new ATOM 106 N SER A 8 3.529 8.006 -4.613 1.00 0.00 N ATOM 107 CA SER A 8 2.194 8.350 -4.130 1.00 0.00 C ATOM 108 C SER A 8 1.125 7.995 -5.160 1.00 0.00 C ATOM 109 O SER A 8 1.154 8.485 -6.288 1.00 0.00 O ATOM 110 CB SER A 8 2.116 9.844 -3.811 1.00 0.00 C ATOM 111 OG SER A 8 1.948 10.609 -4.991 1.00 0.00 O ATOM 0 H SER A 8 3.618 7.993 -5.629 1.00 0.00 H new ATOM 0 HA SER A 8 2.009 7.772 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.285 10.031 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.025 10.157 -3.297 1.00 0.00 H new ATOM 0 HG SER A 8 1.947 10.014 -5.769 1.00 0.00 H new ATOM 117 N SER A 9 0.184 7.142 -4.766 1.00 0.00 N ATOM 118 CA SER A 9 -0.888 6.729 -5.665 1.00 0.00 C ATOM 119 C SER A 9 -2.262 6.908 -5.026 1.00 0.00 C ATOM 120 O SER A 9 -2.402 6.877 -3.803 1.00 0.00 O ATOM 121 CB SER A 9 -0.699 5.267 -6.061 1.00 0.00 C ATOM 122 OG SER A 9 -1.257 4.400 -5.089 1.00 0.00 O ATOM 0 H SER A 9 0.142 6.726 -3.836 1.00 0.00 H new ATOM 0 HA SER A 9 -0.840 7.364 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.169 5.085 -7.028 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.363 5.053 -6.177 1.00 0.00 H new ATOM 0 HG SER A 9 -0.548 3.851 -4.695 1.00 0.00 H new ATOM 128 N ARG A 10 -3.280 7.071 -5.869 1.00 0.00 N ATOM 129 CA ARG A 10 -4.654 7.226 -5.399 1.00 0.00 C ATOM 130 C ARG A 10 -5.348 5.869 -5.393 1.00 0.00 C ATOM 131 O ARG A 10 -5.439 5.205 -6.430 1.00 0.00 O ATOM 132 CB ARG A 10 -5.417 8.206 -6.292 1.00 0.00 C ATOM 133 CG ARG A 10 -6.844 8.460 -5.837 1.00 0.00 C ATOM 134 CD ARG A 10 -7.762 8.740 -7.015 1.00 0.00 C ATOM 135 NE ARG A 10 -8.896 9.582 -6.639 1.00 0.00 N ATOM 136 CZ ARG A 10 -9.642 10.252 -7.513 1.00 0.00 C ATOM 137 NH1 ARG A 10 -9.378 10.183 -8.813 1.00 0.00 N ATOM 138 NH2 ARG A 10 -10.656 10.993 -7.089 1.00 0.00 N ATOM 0 H ARG A 10 -3.178 7.099 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.639 7.626 -4.385 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.879 9.154 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.433 7.819 -7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.211 7.594 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.863 9.306 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.195 9.228 -7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.129 7.797 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.129 9.660 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.600 9.614 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.954 10.699 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.864 11.050 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.228 11.507 -7.760 1.00 0.00 H new ATOM 152 N ALA A 11 -5.822 5.445 -4.224 1.00 0.00 N ATOM 153 CA ALA A 11 -6.477 4.149 -4.106 1.00 0.00 C ATOM 154 C ALA A 11 -7.066 3.933 -2.716 1.00 0.00 C ATOM 155 O ALA A 11 -6.612 4.525 -1.736 1.00 0.00 O ATOM 156 CB ALA A 11 -5.475 3.047 -4.418 1.00 0.00 C ATOM 0 H ALA A 11 -5.765 5.975 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.301 4.122 -4.820 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.963 2.076 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.099 3.174 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.644 3.101 -3.714 1.00 0.00 H new ATOM 162 N THR A 12 -8.068 3.061 -2.637 1.00 0.00 N ATOM 163 CA THR A 12 -8.711 2.740 -1.369 1.00 0.00 C ATOM 164 C THR A 12 -8.150 1.437 -0.812 1.00 0.00 C ATOM 165 O THR A 12 -8.631 0.352 -1.138 1.00 0.00 O ATOM 166 CB THR A 12 -10.225 2.621 -1.553 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.647 3.317 -2.713 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.014 3.162 -0.379 1.00 0.00 C ATOM 0 H THR A 12 -8.452 2.563 -3.440 1.00 0.00 H new ATOM 0 HA THR A 12 -8.507 3.545 -0.663 1.00 0.00 H new ATOM 0 HB THR A 12 -10.422 1.553 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.618 3.228 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.080 3.047 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.748 2.611 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.782 4.218 -0.240 1.00 0.00 H new ATOM 176 N VAL A 13 -7.118 1.551 0.018 1.00 0.00 N ATOM 177 CA VAL A 13 -6.473 0.384 0.611 1.00 0.00 C ATOM 178 C VAL A 13 -7.486 -0.612 1.161 1.00 0.00 C ATOM 179 O VAL A 13 -8.508 -0.233 1.734 1.00 0.00 O ATOM 180 CB VAL A 13 -5.488 0.789 1.722 1.00 0.00 C ATOM 181 CG1 VAL A 13 -4.796 -0.435 2.306 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.465 1.779 1.182 1.00 0.00 C ATOM 0 H VAL A 13 -6.709 2.443 0.296 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.919 -0.102 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.050 1.270 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.105 -0.123 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.542 -1.108 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.245 -0.951 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.774 2.058 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.910 1.319 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.977 2.669 0.818 1.00 0.00 H new ATOM 192 N MET A 14 -7.183 -1.891 0.973 1.00 0.00 N ATOM 193 CA MET A 14 -8.052 -2.967 1.438 1.00 0.00 C ATOM 194 C MET A 14 -7.246 -4.059 2.141 1.00 0.00 C ATOM 195 O MET A 14 -6.146 -4.408 1.712 1.00 0.00 O ATOM 196 CB MET A 14 -8.833 -3.570 0.264 1.00 0.00 C ATOM 197 CG MET A 14 -10.333 -3.623 0.505 1.00 0.00 C ATOM 198 SD MET A 14 -11.283 -3.811 -1.016 1.00 0.00 S ATOM 199 CE MET A 14 -12.955 -3.726 -0.377 1.00 0.00 C ATOM 0 H MET A 14 -6.338 -2.210 0.499 1.00 0.00 H new ATOM 0 HA MET A 14 -8.756 -2.542 2.154 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.637 -2.984 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 14 -8.467 -4.579 0.073 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.559 -4.454 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 14 -10.647 -2.711 1.013 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.664 -3.827 -1.199 1.00 0.00 H new ATOM 0 HE2 MET A 14 -13.112 -4.532 0.339 1.00 0.00 H new ATOM 0 HE3 MET A 14 -13.107 -2.767 0.118 1.00 0.00 H new ATOM 209 N LEU A 15 -7.808 -4.598 3.220 1.00 0.00 N ATOM 210 CA LEU A 15 -7.152 -5.657 3.981 1.00 0.00 C ATOM 211 C LEU A 15 -7.907 -6.973 3.828 1.00 0.00 C ATOM 212 O LEU A 15 -9.114 -7.036 4.055 1.00 0.00 O ATOM 213 CB LEU A 15 -7.067 -5.278 5.464 1.00 0.00 C ATOM 214 CG LEU A 15 -5.860 -4.419 5.852 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.768 -4.284 7.364 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.577 -5.015 5.293 1.00 0.00 C ATOM 0 H LEU A 15 -8.718 -4.318 3.587 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.143 -5.781 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.976 -4.743 5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.046 -6.193 6.055 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.993 -3.426 5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.905 -3.671 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.675 -3.813 7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.658 -5.272 7.811 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.731 -4.390 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.438 -6.020 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.641 -5.063 4.206 1.00 0.00 H new ATOM 228 N TYR A 16 -7.191 -8.022 3.436 1.00 0.00 N ATOM 229 CA TYR A 16 -7.804 -9.332 3.246 1.00 0.00 C ATOM 230 C TYR A 16 -7.985 -10.065 4.566 1.00 0.00 C ATOM 231 O TYR A 16 -7.173 -9.936 5.484 1.00 0.00 O ATOM 232 CB TYR A 16 -6.958 -10.188 2.307 1.00 0.00 C ATOM 233 CG TYR A 16 -7.734 -11.293 1.630 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.434 -11.055 0.453 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.768 -12.572 2.167 1.00 0.00 C ATOM 236 CE1 TYR A 16 -9.145 -12.061 -0.168 1.00 0.00 C ATOM 237 CE2 TYR A 16 -8.476 -13.585 1.553 1.00 0.00 C ATOM 238 CZ TYR A 16 -9.164 -13.325 0.384 1.00 0.00 C ATOM 239 OH TYR A 16 -9.871 -14.328 -0.233 1.00 0.00 O ATOM 0 H TYR A 16 -6.190 -7.991 3.244 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.787 -9.166 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.515 -9.547 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.135 -10.627 2.872 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.421 -10.067 0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.231 -12.778 3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.684 -11.860 -1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.492 -14.575 1.984 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.247 -14.980 -0.616 1.00 0.00 H new ATOM 249 N ASP A 17 -9.051 -10.851 4.644 1.00 0.00 N ATOM 250 CA ASP A 17 -9.348 -11.633 5.835 1.00 0.00 C ATOM 251 C ASP A 17 -9.388 -13.117 5.486 1.00 0.00 C ATOM 252 O ASP A 17 -10.461 -13.705 5.352 1.00 0.00 O ATOM 253 CB ASP A 17 -10.684 -11.198 6.441 1.00 0.00 C ATOM 254 CG ASP A 17 -10.675 -11.249 7.955 1.00 0.00 C ATOM 255 OD1 ASP A 17 -9.838 -11.984 8.520 1.00 0.00 O ATOM 256 OD2 ASP A 17 -11.506 -10.556 8.578 1.00 0.00 O ATOM 0 H ASP A 17 -9.728 -10.963 3.890 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.562 -11.462 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.914 -10.183 6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.478 -11.842 6.063 1.00 0.00 H new ATOM 261 N ASP A 18 -8.209 -13.715 5.328 1.00 0.00 N ATOM 262 CA ASP A 18 -8.103 -15.130 4.981 1.00 0.00 C ATOM 263 C ASP A 18 -9.028 -15.982 5.843 1.00 0.00 C ATOM 264 O ASP A 18 -9.512 -17.027 5.405 1.00 0.00 O ATOM 265 CB ASP A 18 -6.658 -15.606 5.128 1.00 0.00 C ATOM 266 CG ASP A 18 -5.916 -15.621 3.806 1.00 0.00 C ATOM 267 OD1 ASP A 18 -5.901 -14.577 3.122 1.00 0.00 O ATOM 268 OD2 ASP A 18 -5.350 -16.679 3.455 1.00 0.00 O ATOM 0 H ASP A 18 -7.312 -13.241 5.435 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.411 -15.244 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.134 -14.956 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.650 -16.608 5.557 1.00 0.00 H new ATOM 273 N GLY A 19 -9.283 -15.527 7.066 1.00 0.00 N ATOM 274 CA GLY A 19 -10.162 -16.259 7.956 1.00 0.00 C ATOM 275 C GLY A 19 -11.541 -16.448 7.358 1.00 0.00 C ATOM 276 O GLY A 19 -12.228 -17.427 7.650 1.00 0.00 O ATOM 0 H GLY A 19 -8.897 -14.667 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.726 -17.233 8.177 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.247 -15.725 8.903 1.00 0.00 H new ATOM 280 N ASN A 20 -11.941 -15.505 6.510 1.00 0.00 N ATOM 281 CA ASN A 20 -13.242 -15.560 5.855 1.00 0.00 C ATOM 282 C ASN A 20 -13.095 -15.571 4.331 1.00 0.00 C ATOM 283 O ASN A 20 -14.077 -15.743 3.610 1.00 0.00 O ATOM 284 CB ASN A 20 -14.101 -14.370 6.285 1.00 0.00 C ATOM 285 CG ASN A 20 -14.675 -14.547 7.677 1.00 0.00 C ATOM 286 OD1 ASN A 20 -15.891 -14.622 7.856 1.00 0.00 O ATOM 287 ND2 ASN A 20 -13.800 -14.612 8.675 1.00 0.00 N ATOM 0 H ASN A 20 -11.380 -14.691 6.260 1.00 0.00 H new ATOM 0 HA ASN A 20 -13.731 -16.486 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -13.500 -13.461 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.915 -14.237 5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.128 -14.728 9.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -12.801 -14.546 8.482 1.00 0.00 H new ATOM 294 N LYS A 21 -11.866 -15.388 3.845 1.00 0.00 N ATOM 295 CA LYS A 21 -11.606 -15.380 2.409 1.00 0.00 C ATOM 296 C LYS A 21 -12.310 -14.205 1.736 1.00 0.00 C ATOM 297 O LYS A 21 -13.347 -14.376 1.096 1.00 0.00 O ATOM 298 CB LYS A 21 -12.068 -16.699 1.782 1.00 0.00 C ATOM 299 CG LYS A 21 -11.358 -17.043 0.482 1.00 0.00 C ATOM 300 CD LYS A 21 -10.644 -18.385 0.566 1.00 0.00 C ATOM 301 CE LYS A 21 -11.018 -19.291 -0.597 1.00 0.00 C ATOM 302 NZ LYS A 21 -12.289 -20.025 -0.343 1.00 0.00 N ATOM 0 H LYS A 21 -11.039 -15.244 4.425 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.532 -15.270 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.908 -17.506 2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.141 -16.646 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.082 -17.067 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.636 -16.262 0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.566 -18.225 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.898 -18.875 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.118 -18.695 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.215 -20.006 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.509 -20.631 -1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.186 -20.614 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.061 -19.343 -0.200 1.00 0.00 H new ATOM 316 N ARG A 22 -11.745 -13.007 1.890 1.00 0.00 N ATOM 317 CA ARG A 22 -12.328 -11.805 1.300 1.00 0.00 C ATOM 318 C ARG A 22 -11.547 -10.555 1.700 1.00 0.00 C ATOM 319 O ARG A 22 -10.628 -10.620 2.516 1.00 0.00 O ATOM 320 CB ARG A 22 -13.786 -11.660 1.740 1.00 0.00 C ATOM 321 CG ARG A 22 -13.996 -11.903 3.228 1.00 0.00 C ATOM 322 CD ARG A 22 -14.427 -10.634 3.948 1.00 0.00 C ATOM 323 NE ARG A 22 -15.881 -10.489 3.979 1.00 0.00 N ATOM 324 CZ ARG A 22 -16.671 -11.116 4.847 1.00 0.00 C ATOM 325 NH1 ARG A 22 -16.154 -11.938 5.753 1.00 0.00 N ATOM 326 NH2 ARG A 22 -17.982 -10.922 4.811 1.00 0.00 N ATOM 0 H ARG A 22 -10.887 -12.845 2.417 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.280 -11.908 0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.135 -10.658 1.490 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.400 -12.361 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.752 -12.676 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.072 -12.277 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.042 -10.647 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.987 -9.769 3.452 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.316 -9.870 3.295 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.146 -12.092 5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.765 -12.416 6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.385 -10.292 4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.587 -11.403 5.477 1.00 0.00 H new ATOM 340 N TRP A 23 -11.929 -9.416 1.126 1.00 0.00 N ATOM 341 CA TRP A 23 -11.273 -8.146 1.429 1.00 0.00 C ATOM 342 C TRP A 23 -11.989 -7.435 2.572 1.00 0.00 C ATOM 343 O TRP A 23 -13.081 -7.832 2.975 1.00 0.00 O ATOM 344 CB TRP A 23 -11.253 -7.238 0.194 1.00 0.00 C ATOM 345 CG TRP A 23 -10.235 -7.639 -0.828 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.475 -7.990 -2.123 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.820 -7.723 -0.646 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.298 -8.305 -2.755 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.266 -8.147 -1.870 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.966 -7.486 0.431 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.897 -8.340 -2.042 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.609 -7.675 0.259 1.00 0.00 C ATOM 353 CH2 TRP A 23 -6.086 -8.100 -0.968 1.00 0.00 C ATOM 0 H TRP A 23 -12.689 -9.347 0.449 1.00 0.00 H new ATOM 0 HA TRP A 23 -10.247 -8.361 1.727 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -12.241 -7.244 -0.267 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -11.055 -6.214 0.510 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.451 -8.016 -2.585 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.207 -8.607 -3.725 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.359 -7.160 1.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.492 -8.667 -2.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.939 -7.492 1.086 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -5.020 -8.241 -1.068 1.00 0.00 H new ATOM 364 N LEU A 24 -11.369 -6.381 3.088 1.00 0.00 N ATOM 365 CA LEU A 24 -11.951 -5.615 4.184 1.00 0.00 C ATOM 366 C LEU A 24 -11.234 -4.276 4.351 1.00 0.00 C ATOM 367 O LEU A 24 -10.012 -4.233 4.479 1.00 0.00 O ATOM 368 CB LEU A 24 -11.877 -6.415 5.487 1.00 0.00 C ATOM 369 CG LEU A 24 -13.192 -7.062 5.927 1.00 0.00 C ATOM 370 CD1 LEU A 24 -12.987 -7.874 7.197 1.00 0.00 C ATOM 371 CD2 LEU A 24 -14.263 -6.001 6.136 1.00 0.00 C ATOM 0 H LEU A 24 -10.464 -6.037 2.766 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.996 -5.419 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.126 -7.197 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.531 -5.754 6.282 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.526 -7.737 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.932 -8.327 7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.251 -8.657 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.630 -7.220 7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.192 -6.478 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.937 -5.302 6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.428 -5.462 5.203 1.00 0.00 H new ATOM 383 N PRO A 25 -11.988 -3.159 4.355 1.00 0.00 N ATOM 384 CA PRO A 25 -11.417 -1.818 4.508 1.00 0.00 C ATOM 385 C PRO A 25 -10.302 -1.767 5.548 1.00 0.00 C ATOM 386 O PRO A 25 -10.548 -1.910 6.746 1.00 0.00 O ATOM 387 CB PRO A 25 -12.616 -0.992 4.966 1.00 0.00 C ATOM 388 CG PRO A 25 -13.793 -1.649 4.330 1.00 0.00 C ATOM 389 CD PRO A 25 -13.456 -3.115 4.210 1.00 0.00 C ATOM 0 HA PRO A 25 -10.952 -1.461 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.703 -0.989 6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.524 0.047 4.651 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.690 -1.506 4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.996 -1.217 3.350 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.951 -3.703 4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.774 -3.520 3.249 1.00 0.00 H new ATOM 397 N ALA A 26 -9.073 -1.563 5.080 1.00 0.00 N ATOM 398 CA ALA A 26 -7.914 -1.495 5.963 1.00 0.00 C ATOM 399 C ALA A 26 -8.158 -0.550 7.135 1.00 0.00 C ATOM 400 O ALA A 26 -8.239 -0.977 8.287 1.00 0.00 O ATOM 401 CB ALA A 26 -6.685 -1.054 5.183 1.00 0.00 C ATOM 0 H ALA A 26 -8.855 -1.442 4.091 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.745 -2.493 6.367 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.826 -1.007 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.484 -1.769 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.862 -0.069 4.751 1.00 0.00 H new ATOM 407 N GLY A 27 -8.273 0.733 6.827 1.00 0.00 N ATOM 408 CA GLY A 27 -8.505 1.731 7.857 1.00 0.00 C ATOM 409 C GLY A 27 -9.782 1.481 8.637 1.00 0.00 C ATOM 410 O GLY A 27 -9.883 0.505 9.381 1.00 0.00 O ATOM 0 H GLY A 27 -8.210 1.105 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.660 1.740 8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.552 2.718 7.397 1.00 0.00 H new ATOM 414 N THR A 28 -10.758 2.366 8.467 1.00 0.00 N ATOM 415 CA THR A 28 -12.035 2.241 9.162 1.00 0.00 C ATOM 416 C THR A 28 -13.104 1.670 8.231 1.00 0.00 C ATOM 417 O THR A 28 -12.786 1.058 7.212 1.00 0.00 O ATOM 418 CB THR A 28 -12.475 3.604 9.705 1.00 0.00 C ATOM 419 OG1 THR A 28 -11.372 4.487 9.801 1.00 0.00 O ATOM 420 CG2 THR A 28 -13.119 3.523 11.072 1.00 0.00 C ATOM 0 H THR A 28 -10.690 3.178 7.854 1.00 0.00 H new ATOM 0 HA THR A 28 -11.907 1.553 9.998 1.00 0.00 H new ATOM 0 HB THR A 28 -13.214 3.973 8.994 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.672 5.347 10.163 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.407 4.522 11.398 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.004 2.889 11.020 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.410 3.099 11.784 1.00 0.00 H new ATOM 428 N GLY A 29 -14.371 1.874 8.585 1.00 0.00 N ATOM 429 CA GLY A 29 -15.456 1.372 7.764 1.00 0.00 C ATOM 430 C GLY A 29 -15.628 2.177 6.491 1.00 0.00 C ATOM 431 O GLY A 29 -15.396 1.667 5.396 1.00 0.00 O ATOM 0 H GLY A 29 -14.663 2.376 9.423 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.265 0.329 7.510 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.384 1.396 8.336 1.00 0.00 H new ATOM 435 N PRO A 30 -16.029 3.454 6.609 1.00 0.00 N ATOM 436 CA PRO A 30 -16.220 4.333 5.452 1.00 0.00 C ATOM 437 C PRO A 30 -15.061 4.250 4.464 1.00 0.00 C ATOM 438 O PRO A 30 -13.964 3.818 4.818 1.00 0.00 O ATOM 439 CB PRO A 30 -16.282 5.721 6.087 1.00 0.00 C ATOM 440 CG PRO A 30 -16.853 5.482 7.440 1.00 0.00 C ATOM 441 CD PRO A 30 -16.320 4.145 7.881 1.00 0.00 C ATOM 0 HA PRO A 30 -17.104 4.068 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.293 6.175 6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.908 6.397 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -16.557 6.269 8.134 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.943 5.478 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.425 4.252 8.494 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -17.051 3.598 8.477 1.00 0.00 H new ATOM 449 N GLN A 31 -15.307 4.663 3.226 1.00 0.00 N ATOM 450 CA GLN A 31 -14.274 4.630 2.197 1.00 0.00 C ATOM 451 C GLN A 31 -14.408 5.809 1.240 1.00 0.00 C ATOM 452 O GLN A 31 -15.449 6.462 1.176 1.00 0.00 O ATOM 453 CB GLN A 31 -14.340 3.318 1.411 1.00 0.00 C ATOM 454 CG GLN A 31 -13.603 2.169 2.080 1.00 0.00 C ATOM 455 CD GLN A 31 -14.454 0.921 2.200 1.00 0.00 C ATOM 456 OE1 GLN A 31 -15.338 0.837 3.053 1.00 0.00 O ATOM 457 NE2 GLN A 31 -14.192 -0.059 1.342 1.00 0.00 N ATOM 0 H GLN A 31 -16.208 5.023 2.911 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.309 4.700 2.698 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.385 3.038 1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.921 3.478 0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.704 1.938 1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.279 2.480 3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.450 0.053 0.651 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.733 -0.923 1.374 1.00 0.00 H new ATOM 466 N ALA A 32 -13.338 6.069 0.498 1.00 0.00 N ATOM 467 CA ALA A 32 -13.301 7.162 -0.467 1.00 0.00 C ATOM 468 C ALA A 32 -11.885 7.336 -0.996 1.00 0.00 C ATOM 469 O ALA A 32 -11.361 8.449 -1.061 1.00 0.00 O ATOM 470 CB ALA A 32 -13.797 8.457 0.167 1.00 0.00 C ATOM 0 H ALA A 32 -12.474 5.530 0.548 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.962 6.918 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.761 9.260 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.823 8.325 0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.162 8.714 1.015 1.00 0.00 H new ATOM 476 N PHE A 33 -11.264 6.218 -1.354 1.00 0.00 N ATOM 477 CA PHE A 33 -9.897 6.225 -1.857 1.00 0.00 C ATOM 478 C PHE A 33 -8.948 6.761 -0.796 1.00 0.00 C ATOM 479 O PHE A 33 -9.375 7.146 0.292 1.00 0.00 O ATOM 480 CB PHE A 33 -9.780 7.070 -3.127 1.00 0.00 C ATOM 481 CG PHE A 33 -10.258 6.361 -4.360 1.00 0.00 C ATOM 482 CD1 PHE A 33 -9.747 5.120 -4.696 1.00 0.00 C ATOM 483 CD2 PHE A 33 -11.213 6.935 -5.183 1.00 0.00 C ATOM 484 CE1 PHE A 33 -10.178 4.462 -5.829 1.00 0.00 C ATOM 485 CE2 PHE A 33 -11.649 6.281 -6.319 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.130 5.042 -6.643 1.00 0.00 C ATOM 0 H PHE A 33 -11.688 5.292 -1.305 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.625 5.198 -2.100 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.355 7.987 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.739 7.363 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.002 4.661 -4.063 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.621 7.904 -4.934 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.771 3.493 -6.079 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -12.395 6.738 -6.953 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.468 4.529 -7.531 1.00 0.00 H new ATOM 496 N SER A 34 -7.663 6.781 -1.115 1.00 0.00 N ATOM 497 CA SER A 34 -6.662 7.271 -0.179 1.00 0.00 C ATOM 498 C SER A 34 -5.330 7.506 -0.877 1.00 0.00 C ATOM 499 O SER A 34 -5.000 6.833 -1.854 1.00 0.00 O ATOM 500 CB SER A 34 -6.479 6.276 0.968 1.00 0.00 C ATOM 501 OG SER A 34 -7.623 6.242 1.803 1.00 0.00 O ATOM 0 H SER A 34 -7.290 6.465 -2.010 1.00 0.00 H new ATOM 0 HA SER A 34 -7.012 8.222 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.291 5.281 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.604 6.552 1.556 1.00 0.00 H new ATOM 0 HG SER A 34 -8.303 6.855 1.452 1.00 0.00 H new ATOM 507 N ARG A 35 -4.562 8.458 -0.361 1.00 0.00 N ATOM 508 CA ARG A 35 -3.258 8.773 -0.925 1.00 0.00 C ATOM 509 C ARG A 35 -2.175 7.996 -0.192 1.00 0.00 C ATOM 510 O ARG A 35 -1.705 8.413 0.866 1.00 0.00 O ATOM 511 CB ARG A 35 -2.981 10.274 -0.837 1.00 0.00 C ATOM 512 CG ARG A 35 -1.902 10.747 -1.797 1.00 0.00 C ATOM 513 CD ARG A 35 -2.500 11.352 -3.057 1.00 0.00 C ATOM 514 NE ARG A 35 -3.424 12.444 -2.759 1.00 0.00 N ATOM 515 CZ ARG A 35 -4.117 13.102 -3.685 1.00 0.00 C ATOM 516 NH1 ARG A 35 -3.997 12.780 -4.967 1.00 0.00 N ATOM 517 NH2 ARG A 35 -4.936 14.083 -3.330 1.00 0.00 N ATOM 0 H ARG A 35 -4.821 9.024 0.447 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.255 8.484 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.903 10.818 -1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.684 10.522 0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.272 11.486 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.259 9.908 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.698 11.721 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.024 10.577 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.545 12.718 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.371 12.025 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.531 13.288 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.035 14.334 -2.346 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.467 14.587 -4.041 1.00 0.00 H new ATOM 531 N VAL A 36 -1.796 6.855 -0.754 1.00 0.00 N ATOM 532 CA VAL A 36 -0.783 6.008 -0.142 1.00 0.00 C ATOM 533 C VAL A 36 0.605 6.303 -0.691 1.00 0.00 C ATOM 534 O VAL A 36 0.817 6.344 -1.903 1.00 0.00 O ATOM 535 CB VAL A 36 -1.101 4.515 -0.343 1.00 0.00 C ATOM 536 CG1 VAL A 36 -0.120 3.652 0.432 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.529 4.212 0.081 1.00 0.00 C ATOM 0 H VAL A 36 -2.175 6.496 -1.631 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.794 6.235 0.924 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.001 4.282 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.360 2.600 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.893 3.848 0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.188 3.888 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.736 3.152 -0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.657 4.462 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.220 4.804 -0.519 1.00 0.00 H new ATOM 547 N GLN A 37 1.547 6.501 0.222 1.00 0.00 N ATOM 548 CA GLN A 37 2.926 6.789 -0.141 1.00 0.00 C ATOM 549 C GLN A 37 3.864 5.804 0.546 1.00 0.00 C ATOM 550 O GLN A 37 3.583 5.334 1.648 1.00 0.00 O ATOM 551 CB GLN A 37 3.285 8.221 0.252 1.00 0.00 C ATOM 552 CG GLN A 37 2.651 9.270 -0.644 1.00 0.00 C ATOM 553 CD GLN A 37 3.222 10.657 -0.418 1.00 0.00 C ATOM 554 OE1 GLN A 37 2.846 11.350 0.526 1.00 0.00 O ATOM 555 NE2 GLN A 37 4.137 11.068 -1.290 1.00 0.00 N ATOM 0 H GLN A 37 1.378 6.467 1.227 1.00 0.00 H new ATOM 0 HA GLN A 37 3.036 6.684 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.972 8.396 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.368 8.337 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.797 8.987 -1.687 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.576 9.291 -0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.419 10.459 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.557 11.992 -1.191 1.00 0.00 H new ATOM 564 N ILE A 38 4.979 5.493 -0.104 1.00 0.00 N ATOM 565 CA ILE A 38 5.944 4.563 0.464 1.00 0.00 C ATOM 566 C ILE A 38 7.071 5.322 1.147 1.00 0.00 C ATOM 567 O ILE A 38 7.402 6.438 0.753 1.00 0.00 O ATOM 568 CB ILE A 38 6.526 3.625 -0.612 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.396 2.898 -1.342 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.491 2.623 0.014 1.00 0.00 C ATOM 571 CD1 ILE A 38 5.879 1.979 -2.441 1.00 0.00 C ATOM 0 H ILE A 38 5.235 5.868 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 38 5.419 3.953 1.200 1.00 0.00 H new ATOM 0 HB ILE A 38 7.080 4.225 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.823 2.317 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.717 3.636 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.891 1.970 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.309 3.158 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.963 2.024 0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.024 1.497 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.427 2.558 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.535 1.218 -2.017 1.00 0.00 H new ATOM 583 N TYR A 39 7.650 4.721 2.176 1.00 0.00 N ATOM 584 CA TYR A 39 8.731 5.361 2.912 1.00 0.00 C ATOM 585 C TYR A 39 10.054 4.645 2.690 1.00 0.00 C ATOM 586 O TYR A 39 10.171 3.442 2.930 1.00 0.00 O ATOM 587 CB TYR A 39 8.397 5.407 4.399 1.00 0.00 C ATOM 588 CG TYR A 39 7.546 6.593 4.771 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.339 6.830 4.128 1.00 0.00 C ATOM 590 CD2 TYR A 39 7.955 7.483 5.751 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.562 7.922 4.451 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.185 8.578 6.084 1.00 0.00 C ATOM 593 CZ TYR A 39 5.988 8.796 5.431 1.00 0.00 C ATOM 594 OH TYR A 39 5.217 9.887 5.758 1.00 0.00 O ATOM 0 H TYR A 39 7.391 3.796 2.519 1.00 0.00 H new ATOM 0 HA TYR A 39 8.837 6.379 2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.877 4.491 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.323 5.436 4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.003 6.147 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 39 8.892 7.317 6.262 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.626 8.093 3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.517 9.261 6.852 1.00 0.00 H new ATOM 0 HH TYR A 39 5.659 10.399 6.467 1.00 0.00 H new ATOM 604 N HIS A 40 11.046 5.399 2.227 1.00 0.00 N ATOM 605 CA HIS A 40 12.368 4.855 1.960 1.00 0.00 C ATOM 606 C HIS A 40 13.342 5.191 3.086 1.00 0.00 C ATOM 607 O HIS A 40 14.024 6.214 3.043 1.00 0.00 O ATOM 608 CB HIS A 40 12.898 5.392 0.626 1.00 0.00 C ATOM 609 CG HIS A 40 14.315 5.001 0.332 1.00 0.00 C ATOM 610 ND1 HIS A 40 15.045 5.540 -0.708 1.00 0.00 N ATOM 611 CD2 HIS A 40 15.137 4.118 0.947 1.00 0.00 C ATOM 612 CE1 HIS A 40 16.253 5.005 -0.719 1.00 0.00 C ATOM 613 NE2 HIS A 40 16.335 4.140 0.274 1.00 0.00 N ATOM 0 H HIS A 40 10.955 6.395 2.029 1.00 0.00 H new ATOM 0 HA HIS A 40 12.282 3.770 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.258 5.032 -0.179 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.825 6.480 0.629 1.00 0.00 H new ATOM 0 HD1 HIS A 40 14.705 6.242 -1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.896 3.510 1.806 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.040 5.236 -1.422 1.00 0.00 H new ATOM 622 N ASN A 41 13.405 4.318 4.086 1.00 0.00 N ATOM 623 CA ASN A 41 14.305 4.506 5.217 1.00 0.00 C ATOM 624 C ASN A 41 15.543 3.626 5.065 1.00 0.00 C ATOM 625 O ASN A 41 15.572 2.497 5.557 1.00 0.00 O ATOM 626 CB ASN A 41 13.598 4.167 6.530 1.00 0.00 C ATOM 627 CG ASN A 41 12.522 5.171 6.886 1.00 0.00 C ATOM 628 OD1 ASN A 41 12.645 5.905 7.866 1.00 0.00 O ATOM 629 ND2 ASN A 41 11.460 5.207 6.090 1.00 0.00 N ATOM 0 H ASN A 41 12.841 3.470 4.135 1.00 0.00 H new ATOM 0 HA ASN A 41 14.608 5.553 5.236 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.153 3.175 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.333 4.126 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.702 5.863 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.402 4.579 5.288 1.00 0.00 H new ATOM 636 N PRO A 42 16.582 4.123 4.376 1.00 0.00 N ATOM 637 CA PRO A 42 17.817 3.366 4.162 1.00 0.00 C ATOM 638 C PRO A 42 18.658 3.247 5.428 1.00 0.00 C ATOM 639 O PRO A 42 19.532 2.386 5.522 1.00 0.00 O ATOM 640 CB PRO A 42 18.554 4.182 3.108 1.00 0.00 C ATOM 641 CG PRO A 42 18.075 5.577 3.315 1.00 0.00 C ATOM 642 CD PRO A 42 16.639 5.457 3.749 1.00 0.00 C ATOM 0 HA PRO A 42 17.614 2.338 3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.634 4.110 3.234 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.326 3.829 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.671 6.087 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.159 6.160 2.398 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.365 6.244 4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 42 15.956 5.533 2.903 1.00 0.00 H new ATOM 650 N THR A 43 18.386 4.108 6.407 1.00 0.00 N ATOM 651 CA THR A 43 19.119 4.081 7.669 1.00 0.00 C ATOM 652 C THR A 43 19.095 2.679 8.271 1.00 0.00 C ATOM 653 O THR A 43 19.992 2.297 9.023 1.00 0.00 O ATOM 654 CB THR A 43 18.517 5.084 8.654 1.00 0.00 C ATOM 655 OG1 THR A 43 19.073 4.912 9.946 1.00 0.00 O ATOM 656 CG2 THR A 43 17.014 4.970 8.782 1.00 0.00 C ATOM 0 H THR A 43 17.667 4.829 6.350 1.00 0.00 H new ATOM 0 HA THR A 43 20.154 4.359 7.471 1.00 0.00 H new ATOM 0 HB THR A 43 18.756 6.067 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 43 18.677 5.563 10.562 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.652 5.710 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 43 16.552 5.147 7.811 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.753 3.971 9.131 1.00 0.00 H new ATOM 664 N ALA A 44 18.062 1.916 7.928 1.00 0.00 N ATOM 665 CA ALA A 44 17.912 0.554 8.423 1.00 0.00 C ATOM 666 C ALA A 44 17.686 -0.431 7.277 1.00 0.00 C ATOM 667 O ALA A 44 17.428 -1.612 7.506 1.00 0.00 O ATOM 668 CB ALA A 44 16.762 0.481 9.416 1.00 0.00 C ATOM 0 H ALA A 44 17.313 2.221 7.306 1.00 0.00 H new ATOM 0 HA ALA A 44 18.837 0.274 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.659 -0.542 9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.964 1.146 10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.838 0.786 8.925 1.00 0.00 H new ATOM 674 N ASN A 45 17.774 0.062 6.041 1.00 0.00 N ATOM 675 CA ASN A 45 17.568 -0.776 4.865 1.00 0.00 C ATOM 676 C ASN A 45 16.203 -1.450 4.934 1.00 0.00 C ATOM 677 O ASN A 45 16.083 -2.664 4.773 1.00 0.00 O ATOM 678 CB ASN A 45 18.680 -1.822 4.747 1.00 0.00 C ATOM 679 CG ASN A 45 19.456 -1.699 3.448 1.00 0.00 C ATOM 680 OD1 ASN A 45 20.679 -1.823 3.430 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.746 -1.455 2.349 1.00 0.00 N ATOM 0 H ASN A 45 17.987 1.037 5.831 1.00 0.00 H new ATOM 0 HA ASN A 45 17.600 -0.144 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.365 -1.716 5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.245 -2.819 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 45 19.216 -1.364 1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.732 -1.359 2.408 1.00 0.00 H new ATOM 688 N SER A 46 15.179 -0.645 5.185 1.00 0.00 N ATOM 689 CA SER A 46 13.815 -1.154 5.288 1.00 0.00 C ATOM 690 C SER A 46 12.821 -0.186 4.654 1.00 0.00 C ATOM 691 O SER A 46 13.114 0.998 4.484 1.00 0.00 O ATOM 692 CB SER A 46 13.448 -1.392 6.753 1.00 0.00 C ATOM 693 OG SER A 46 14.485 -2.078 7.434 1.00 0.00 O ATOM 0 H SER A 46 15.265 0.362 5.321 1.00 0.00 H new ATOM 0 HA SER A 46 13.766 -2.100 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.257 -0.437 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.526 -1.970 6.811 1.00 0.00 H new ATOM 0 HG SER A 46 14.226 -2.217 8.369 1.00 0.00 H new ATOM 699 N PHE A 47 11.644 -0.698 4.307 1.00 0.00 N ATOM 700 CA PHE A 47 10.608 0.122 3.693 1.00 0.00 C ATOM 701 C PHE A 47 9.273 -0.067 4.403 1.00 0.00 C ATOM 702 O PHE A 47 9.084 -1.032 5.142 1.00 0.00 O ATOM 703 CB PHE A 47 10.463 -0.233 2.212 1.00 0.00 C ATOM 704 CG PHE A 47 11.634 0.198 1.378 1.00 0.00 C ATOM 705 CD1 PHE A 47 11.794 1.526 1.029 1.00 0.00 C ATOM 706 CD2 PHE A 47 12.571 -0.723 0.943 1.00 0.00 C ATOM 707 CE1 PHE A 47 12.867 1.932 0.263 1.00 0.00 C ATOM 708 CE2 PHE A 47 13.648 -0.325 0.175 1.00 0.00 C ATOM 709 CZ PHE A 47 13.797 1.005 -0.166 1.00 0.00 C ATOM 0 H PHE A 47 11.385 -1.676 4.441 1.00 0.00 H new ATOM 0 HA PHE A 47 10.903 1.167 3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.335 -1.311 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.558 0.232 1.822 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.069 2.255 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.459 -1.764 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.980 2.973 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.373 -1.053 -0.158 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.638 1.319 -0.766 1.00 0.00 H new ATOM 719 N ARG A 48 8.347 0.859 4.171 1.00 0.00 N ATOM 720 CA ARG A 48 7.025 0.787 4.784 1.00 0.00 C ATOM 721 C ARG A 48 6.039 1.685 4.046 1.00 0.00 C ATOM 722 O ARG A 48 6.399 2.760 3.566 1.00 0.00 O ATOM 723 CB ARG A 48 7.094 1.172 6.267 1.00 0.00 C ATOM 724 CG ARG A 48 7.461 2.624 6.510 1.00 0.00 C ATOM 725 CD ARG A 48 8.969 2.822 6.523 1.00 0.00 C ATOM 726 NE ARG A 48 9.484 3.003 7.880 1.00 0.00 N ATOM 727 CZ ARG A 48 9.409 4.149 8.555 1.00 0.00 C ATOM 728 NH1 ARG A 48 8.845 5.216 8.004 1.00 0.00 N ATOM 729 NH2 ARG A 48 9.902 4.227 9.783 1.00 0.00 N ATOM 0 H ARG A 48 8.488 1.667 3.564 1.00 0.00 H new ATOM 0 HA ARG A 48 6.673 -0.242 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.128 0.969 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.826 0.535 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.018 3.247 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.041 2.952 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.452 1.960 6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.226 3.692 5.918 1.00 0.00 H new ATOM 0 HE ARG A 48 9.926 2.205 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.466 5.162 7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.790 6.091 8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.338 3.410 10.210 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.845 5.104 10.301 1.00 0.00 H new ATOM 743 N VAL A 49 4.794 1.229 3.945 1.00 0.00 N ATOM 744 CA VAL A 49 3.756 1.979 3.254 1.00 0.00 C ATOM 745 C VAL A 49 2.948 2.833 4.228 1.00 0.00 C ATOM 746 O VAL A 49 2.763 2.464 5.388 1.00 0.00 O ATOM 747 CB VAL A 49 2.811 1.028 2.492 1.00 0.00 C ATOM 748 CG1 VAL A 49 2.288 -0.059 3.418 1.00 0.00 C ATOM 749 CG2 VAL A 49 1.662 1.795 1.855 1.00 0.00 C ATOM 0 H VAL A 49 4.481 0.340 4.335 1.00 0.00 H new ATOM 0 HA VAL A 49 4.250 2.639 2.541 1.00 0.00 H new ATOM 0 HB VAL A 49 3.379 0.553 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.623 -0.721 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.125 -0.634 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.740 0.398 4.242 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.011 1.100 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.092 2.306 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.059 2.529 1.153 1.00 0.00 H new ATOM 759 N VAL A 50 2.470 3.976 3.746 1.00 0.00 N ATOM 760 CA VAL A 50 1.681 4.886 4.568 1.00 0.00 C ATOM 761 C VAL A 50 0.684 5.656 3.708 1.00 0.00 C ATOM 762 O VAL A 50 1.073 6.430 2.834 1.00 0.00 O ATOM 763 CB VAL A 50 2.573 5.894 5.328 1.00 0.00 C ATOM 764 CG1 VAL A 50 1.968 6.224 6.682 1.00 0.00 C ATOM 765 CG2 VAL A 50 3.989 5.356 5.492 1.00 0.00 C ATOM 0 H VAL A 50 2.616 4.294 2.788 1.00 0.00 H new ATOM 0 HA VAL A 50 1.148 4.275 5.297 1.00 0.00 H new ATOM 0 HB VAL A 50 2.626 6.809 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.609 6.935 7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.980 6.662 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.881 5.313 7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.595 6.085 6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.961 4.422 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.426 5.175 4.510 1.00 0.00 H new ATOM 775 N GLY A 51 -0.604 5.435 3.956 1.00 0.00 N ATOM 776 CA GLY A 51 -1.630 6.114 3.184 1.00 0.00 C ATOM 777 C GLY A 51 -2.800 6.571 4.031 1.00 0.00 C ATOM 778 O GLY A 51 -3.156 5.922 5.014 1.00 0.00 O ATOM 0 H GLY A 51 -0.954 4.801 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.190 6.977 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.992 5.445 2.403 1.00 0.00 H new ATOM 782 N ARG A 52 -3.402 7.691 3.642 1.00 0.00 N ATOM 783 CA ARG A 52 -4.543 8.240 4.365 1.00 0.00 C ATOM 784 C ARG A 52 -5.676 8.588 3.405 1.00 0.00 C ATOM 785 O ARG A 52 -5.466 8.702 2.198 1.00 0.00 O ATOM 786 CB ARG A 52 -4.124 9.484 5.152 1.00 0.00 C ATOM 787 CG ARG A 52 -3.358 10.500 4.320 1.00 0.00 C ATOM 788 CD ARG A 52 -3.738 11.926 4.691 1.00 0.00 C ATOM 789 NE ARG A 52 -3.885 12.776 3.512 1.00 0.00 N ATOM 790 CZ ARG A 52 -2.861 13.228 2.792 1.00 0.00 C ATOM 791 NH1 ARG A 52 -1.615 12.913 3.126 1.00 0.00 N ATOM 792 NH2 ARG A 52 -3.082 13.995 1.733 1.00 0.00 N ATOM 0 H ARG A 52 -3.117 8.237 2.828 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.901 7.482 5.062 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.014 9.960 5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.506 9.179 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.287 10.358 4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.560 10.332 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.673 11.918 5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.976 12.345 5.348 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.828 13.038 3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.439 12.322 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.834 13.262 2.570 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.037 14.239 1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.297 14.341 1.181 1.00 0.00 H new ATOM 806 N LYS A 53 -6.878 8.755 3.949 1.00 0.00 N ATOM 807 CA LYS A 53 -8.043 9.087 3.137 1.00 0.00 C ATOM 808 C LYS A 53 -7.896 10.469 2.508 1.00 0.00 C ATOM 809 O LYS A 53 -6.958 11.205 2.815 1.00 0.00 O ATOM 810 CB LYS A 53 -9.317 9.031 3.985 1.00 0.00 C ATOM 811 CG LYS A 53 -10.343 8.032 3.473 1.00 0.00 C ATOM 812 CD LYS A 53 -10.460 6.830 4.397 1.00 0.00 C ATOM 813 CE LYS A 53 -11.331 5.743 3.789 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.844 5.327 2.445 1.00 0.00 N ATOM 0 H LYS A 53 -7.070 8.666 4.947 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.116 8.351 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.051 8.773 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.769 10.022 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.314 8.519 3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.061 7.698 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.467 6.430 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.881 7.144 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.348 4.878 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.357 6.103 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.294 4.429 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.085 6.059 1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.812 5.202 2.473 1.00 0.00 H new ATOM 828 N MET A 54 -8.829 10.812 1.627 1.00 0.00 N ATOM 829 CA MET A 54 -8.807 12.106 0.954 1.00 0.00 C ATOM 830 C MET A 54 -9.971 12.975 1.414 1.00 0.00 C ATOM 831 O MET A 54 -10.656 13.599 0.604 1.00 0.00 O ATOM 832 CB MET A 54 -8.861 11.916 -0.564 1.00 0.00 C ATOM 833 CG MET A 54 -7.920 10.838 -1.078 1.00 0.00 C ATOM 834 SD MET A 54 -6.489 11.515 -1.942 1.00 0.00 S ATOM 835 CE MET A 54 -6.990 11.300 -3.648 1.00 0.00 C ATOM 0 H MET A 54 -9.610 10.212 1.362 1.00 0.00 H new ATOM 0 HA MET A 54 -7.876 12.610 1.215 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.881 11.664 -0.854 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.616 12.861 -1.049 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.579 10.230 -0.240 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.466 10.176 -1.751 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.117 11.063 -4.256 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.711 10.485 -3.716 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.447 12.220 -4.012 1.00 0.00 H new ATOM 845 N GLN A 55 -10.187 13.009 2.724 1.00 0.00 N ATOM 846 CA GLN A 55 -11.266 13.800 3.302 1.00 0.00 C ATOM 847 C GLN A 55 -10.768 14.607 4.498 1.00 0.00 C ATOM 848 O GLN A 55 -9.707 14.321 5.052 1.00 0.00 O ATOM 849 CB GLN A 55 -12.425 12.893 3.728 1.00 0.00 C ATOM 850 CG GLN A 55 -11.979 11.573 4.336 1.00 0.00 C ATOM 851 CD GLN A 55 -12.982 11.021 5.330 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.744 11.771 5.942 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.988 9.704 5.498 1.00 0.00 N ATOM 0 H GLN A 55 -9.628 12.497 3.406 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.621 14.494 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.044 13.425 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.053 12.689 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.823 10.845 3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.019 11.712 4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.339 9.120 4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.641 9.277 6.155 1.00 0.00 H new ATOM 862 N PRO A 56 -11.531 15.634 4.914 1.00 0.00 N ATOM 863 CA PRO A 56 -11.162 16.486 6.049 1.00 0.00 C ATOM 864 C PRO A 56 -10.769 15.680 7.282 1.00 0.00 C ATOM 865 O PRO A 56 -10.005 16.151 8.126 1.00 0.00 O ATOM 866 CB PRO A 56 -12.437 17.287 6.315 1.00 0.00 C ATOM 867 CG PRO A 56 -13.125 17.346 4.997 1.00 0.00 C ATOM 868 CD PRO A 56 -12.813 16.045 4.306 1.00 0.00 C ATOM 0 HA PRO A 56 -10.291 17.103 5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.060 16.802 7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.208 18.285 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.200 17.472 5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.772 18.194 4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -13.594 15.303 4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.723 16.174 3.227 1.00 0.00 H new ATOM 876 N ASP A 57 -11.294 14.462 7.383 1.00 0.00 N ATOM 877 CA ASP A 57 -10.996 13.593 8.514 1.00 0.00 C ATOM 878 C ASP A 57 -9.510 13.251 8.561 1.00 0.00 C ATOM 879 O ASP A 57 -8.871 13.355 9.607 1.00 0.00 O ATOM 880 CB ASP A 57 -11.824 12.310 8.431 1.00 0.00 C ATOM 881 CG ASP A 57 -13.152 12.430 9.153 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.141 12.559 10.396 1.00 0.00 O ATOM 883 OD2 ASP A 57 -14.201 12.395 8.477 1.00 0.00 O ATOM 0 H ASP A 57 -11.928 14.056 6.695 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.257 14.127 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.004 12.064 7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.254 11.485 8.859 1.00 0.00 H new ATOM 888 N GLN A 58 -8.967 12.843 7.418 1.00 0.00 N ATOM 889 CA GLN A 58 -7.556 12.485 7.325 1.00 0.00 C ATOM 890 C GLN A 58 -7.227 11.313 8.244 1.00 0.00 C ATOM 891 O GLN A 58 -6.792 11.503 9.380 1.00 0.00 O ATOM 892 CB GLN A 58 -6.679 13.690 7.676 1.00 0.00 C ATOM 893 CG GLN A 58 -6.083 14.381 6.458 1.00 0.00 C ATOM 894 CD GLN A 58 -6.551 15.816 6.314 1.00 0.00 C ATOM 895 OE1 GLN A 58 -6.880 16.475 7.299 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.582 16.307 5.080 1.00 0.00 N ATOM 0 H GLN A 58 -9.483 12.752 6.543 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.351 12.182 6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.273 14.410 8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.871 13.363 8.330 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.996 14.363 6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.352 13.823 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.300 15.724 4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.888 17.267 4.921 1.00 0.00 H new ATOM 905 N GLN A 59 -7.435 10.101 7.741 1.00 0.00 N ATOM 906 CA GLN A 59 -7.160 8.893 8.511 1.00 0.00 C ATOM 907 C GLN A 59 -6.279 7.937 7.714 1.00 0.00 C ATOM 908 O GLN A 59 -6.525 7.697 6.532 1.00 0.00 O ATOM 909 CB GLN A 59 -8.468 8.200 8.893 1.00 0.00 C ATOM 910 CG GLN A 59 -9.276 7.731 7.694 1.00 0.00 C ATOM 911 CD GLN A 59 -10.697 7.352 8.062 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.462 8.175 8.564 1.00 0.00 O ATOM 913 NE2 GLN A 59 -11.057 6.099 7.811 1.00 0.00 N ATOM 0 H GLN A 59 -7.794 9.929 6.802 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.631 9.179 9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.244 7.343 9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.074 8.886 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.297 8.521 6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.781 6.873 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.389 5.450 7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.001 5.785 8.036 1.00 0.00 H new ATOM 922 N VAL A 60 -5.255 7.392 8.363 1.00 0.00 N ATOM 923 CA VAL A 60 -4.348 6.464 7.700 1.00 0.00 C ATOM 924 C VAL A 60 -5.014 5.108 7.485 1.00 0.00 C ATOM 925 O VAL A 60 -5.456 4.465 8.437 1.00 0.00 O ATOM 926 CB VAL A 60 -3.040 6.275 8.498 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.408 7.624 8.807 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.287 5.489 9.779 1.00 0.00 C ATOM 0 H VAL A 60 -5.034 7.576 9.342 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.101 6.900 6.732 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.347 5.700 7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.487 7.474 9.370 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.183 8.143 7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.101 8.223 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.348 5.371 10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.001 6.026 10.403 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.689 4.506 9.531 1.00 0.00 H new ATOM 938 N VAL A 61 -5.083 4.683 6.230 1.00 0.00 N ATOM 939 CA VAL A 61 -5.698 3.406 5.891 1.00 0.00 C ATOM 940 C VAL A 61 -4.656 2.290 5.820 1.00 0.00 C ATOM 941 O VAL A 61 -4.990 1.109 5.921 1.00 0.00 O ATOM 942 CB VAL A 61 -6.464 3.487 4.550 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.325 4.739 4.503 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.506 3.452 3.367 1.00 0.00 C ATOM 0 H VAL A 61 -4.721 5.203 5.431 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.408 3.174 6.685 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.114 2.615 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.857 4.779 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.045 4.716 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.691 5.620 4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.073 3.510 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.821 4.298 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.937 2.523 3.387 1.00 0.00 H new ATOM 954 N ILE A 62 -3.393 2.671 5.648 1.00 0.00 N ATOM 955 CA ILE A 62 -2.307 1.706 5.567 1.00 0.00 C ATOM 956 C ILE A 62 -1.091 2.202 6.336 1.00 0.00 C ATOM 957 O ILE A 62 -0.742 3.381 6.274 1.00 0.00 O ATOM 958 CB ILE A 62 -1.907 1.422 4.102 1.00 0.00 C ATOM 959 CG1 ILE A 62 -0.997 0.196 4.030 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.220 2.630 3.482 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.121 -0.573 2.732 1.00 0.00 C ATOM 0 H ILE A 62 -3.099 3.644 5.562 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.666 0.778 6.013 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.815 1.220 3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.038 0.514 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.231 -0.469 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.948 2.405 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.898 3.483 3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.321 2.869 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.447 -1.429 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.147 -0.921 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.858 0.077 1.897 1.00 0.00 H new ATOM 973 N ASN A 63 -0.452 1.298 7.066 1.00 0.00 N ATOM 974 CA ASN A 63 0.720 1.651 7.851 1.00 0.00 C ATOM 975 C ASN A 63 1.500 0.400 8.245 1.00 0.00 C ATOM 976 O ASN A 63 1.587 0.051 9.423 1.00 0.00 O ATOM 977 CB ASN A 63 0.296 2.437 9.094 1.00 0.00 C ATOM 978 CG ASN A 63 -0.632 1.645 9.995 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.186 0.932 10.895 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.934 1.768 9.759 1.00 0.00 N ATOM 0 H ASN A 63 -0.726 0.317 7.130 1.00 0.00 H new ATOM 0 HA ASN A 63 1.373 2.278 7.245 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.183 2.726 9.657 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.200 3.357 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.607 1.261 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.261 2.370 9.003 1.00 0.00 H new ATOM 987 N CYS A 64 2.063 -0.271 7.245 1.00 0.00 N ATOM 988 CA CYS A 64 2.838 -1.486 7.474 1.00 0.00 C ATOM 989 C CYS A 64 4.253 -1.338 6.926 1.00 0.00 C ATOM 990 O CYS A 64 4.541 -0.407 6.175 1.00 0.00 O ATOM 991 CB CYS A 64 2.147 -2.685 6.822 1.00 0.00 C ATOM 992 SG CYS A 64 2.273 -4.218 7.773 1.00 0.00 S ATOM 0 H CYS A 64 1.997 0.007 6.266 1.00 0.00 H new ATOM 0 HA CYS A 64 2.900 -1.653 8.549 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.094 -2.447 6.674 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.579 -2.846 5.834 1.00 0.00 H new ATOM 0 HG CYS A 64 1.656 -5.172 7.141 1.00 0.00 H new ATOM 998 N ALA A 65 5.133 -2.257 7.310 1.00 0.00 N ATOM 999 CA ALA A 65 6.519 -2.220 6.859 1.00 0.00 C ATOM 1000 C ALA A 65 6.834 -3.377 5.916 1.00 0.00 C ATOM 1001 O ALA A 65 6.391 -4.506 6.128 1.00 0.00 O ATOM 1002 CB ALA A 65 7.459 -2.245 8.055 1.00 0.00 C ATOM 0 H ALA A 65 4.911 -3.035 7.931 1.00 0.00 H new ATOM 0 HA ALA A 65 6.665 -1.292 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.492 -2.217 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.266 -1.379 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.294 -3.157 8.628 1.00 0.00 H new ATOM 1008 N ILE A 66 7.613 -3.088 4.876 1.00 0.00 N ATOM 1009 CA ILE A 66 8.005 -4.100 3.900 1.00 0.00 C ATOM 1010 C ILE A 66 9.520 -4.218 3.824 1.00 0.00 C ATOM 1011 O ILE A 66 10.214 -3.238 3.556 1.00 0.00 O ATOM 1012 CB ILE A 66 7.467 -3.783 2.489 1.00 0.00 C ATOM 1013 CG1 ILE A 66 7.455 -2.276 2.235 1.00 0.00 C ATOM 1014 CG2 ILE A 66 6.074 -4.367 2.307 1.00 0.00 C ATOM 1015 CD1 ILE A 66 7.746 -1.915 0.796 1.00 0.00 C ATOM 0 H ILE A 66 7.986 -2.157 4.688 1.00 0.00 H new ATOM 0 HA ILE A 66 7.571 -5.041 4.239 1.00 0.00 H new ATOM 0 HB ILE A 66 8.134 -4.243 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.481 -1.874 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.193 -1.799 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.710 -4.134 1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.113 -5.449 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.400 -3.937 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.723 -0.831 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.732 -2.288 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.993 -2.365 0.149 1.00 0.00 H new ATOM 1027 N VAL A 67 10.033 -5.421 4.055 1.00 0.00 N ATOM 1028 CA VAL A 67 11.469 -5.648 4.003 1.00 0.00 C ATOM 1029 C VAL A 67 11.806 -6.957 3.304 1.00 0.00 C ATOM 1030 O VAL A 67 11.553 -8.040 3.833 1.00 0.00 O ATOM 1031 CB VAL A 67 12.098 -5.659 5.404 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.967 -4.295 6.063 1.00 0.00 C ATOM 1033 CG2 VAL A 67 11.469 -6.742 6.266 1.00 0.00 C ATOM 0 H VAL A 67 9.479 -6.248 4.278 1.00 0.00 H new ATOM 0 HA VAL A 67 11.885 -4.817 3.432 1.00 0.00 H new ATOM 0 HB VAL A 67 13.160 -5.883 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.419 -4.325 7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.475 -3.547 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.913 -4.034 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.929 -6.733 7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.399 -6.556 6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.628 -7.715 5.801 1.00 0.00 H new ATOM 1043 N ARG A 68 12.394 -6.834 2.117 1.00 0.00 N ATOM 1044 CA ARG A 68 12.805 -7.983 1.303 1.00 0.00 C ATOM 1045 C ARG A 68 11.958 -9.223 1.585 1.00 0.00 C ATOM 1046 O ARG A 68 12.487 -10.319 1.773 1.00 0.00 O ATOM 1047 CB ARG A 68 14.279 -8.297 1.557 1.00 0.00 C ATOM 1048 CG ARG A 68 14.553 -8.838 2.952 1.00 0.00 C ATOM 1049 CD ARG A 68 15.736 -8.140 3.603 1.00 0.00 C ATOM 1050 NE ARG A 68 16.665 -9.089 4.210 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.372 -9.981 3.520 1.00 0.00 C ATOM 1052 NH1 ARG A 68 17.259 -10.048 2.198 1.00 0.00 N ATOM 1053 NH2 ARG A 68 18.195 -10.807 4.150 1.00 0.00 N ATOM 0 H ARG A 68 12.601 -5.932 1.688 1.00 0.00 H new ATOM 0 HA ARG A 68 12.655 -7.713 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.619 -9.025 0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.866 -7.391 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.667 -8.708 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.748 -9.909 2.895 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.262 -7.545 2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.375 -7.449 4.364 1.00 0.00 H new ATOM 0 HE ARG A 68 16.779 -9.067 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.628 -9.414 1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.803 -10.733 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.287 -10.760 5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.736 -11.490 3.620 1.00 0.00 H new ATOM 1067 N GLY A 69 10.645 -9.042 1.625 1.00 0.00 N ATOM 1068 CA GLY A 69 9.759 -10.157 1.898 1.00 0.00 C ATOM 1069 C GLY A 69 8.427 -10.062 1.178 1.00 0.00 C ATOM 1070 O GLY A 69 7.759 -11.076 0.974 1.00 0.00 O ATOM 0 H GLY A 69 10.179 -8.147 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.254 -11.084 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.579 -10.214 2.972 1.00 0.00 H new ATOM 1074 N VAL A 70 8.029 -8.853 0.793 1.00 0.00 N ATOM 1075 CA VAL A 70 6.765 -8.663 0.101 1.00 0.00 C ATOM 1076 C VAL A 70 6.993 -8.389 -1.384 1.00 0.00 C ATOM 1077 O VAL A 70 7.892 -7.639 -1.760 1.00 0.00 O ATOM 1078 CB VAL A 70 5.951 -7.513 0.742 1.00 0.00 C ATOM 1079 CG1 VAL A 70 5.019 -6.855 -0.258 1.00 0.00 C ATOM 1080 CG2 VAL A 70 5.153 -8.029 1.925 1.00 0.00 C ATOM 0 H VAL A 70 8.562 -7.997 0.949 1.00 0.00 H new ATOM 0 HA VAL A 70 6.191 -9.585 0.197 1.00 0.00 H new ATOM 0 HB VAL A 70 6.663 -6.761 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.467 -6.053 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.602 -6.443 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.318 -7.595 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.585 -7.210 2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.467 -8.807 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.833 -8.442 2.670 1.00 0.00 H new ATOM 1090 N LYS A 71 6.167 -9.010 -2.216 1.00 0.00 N ATOM 1091 CA LYS A 71 6.261 -8.845 -3.661 1.00 0.00 C ATOM 1092 C LYS A 71 4.903 -8.479 -4.249 1.00 0.00 C ATOM 1093 O LYS A 71 3.966 -9.276 -4.216 1.00 0.00 O ATOM 1094 CB LYS A 71 6.786 -10.128 -4.310 1.00 0.00 C ATOM 1095 CG LYS A 71 7.800 -9.881 -5.415 1.00 0.00 C ATOM 1096 CD LYS A 71 7.612 -10.850 -6.571 1.00 0.00 C ATOM 1097 CE LYS A 71 7.863 -12.287 -6.141 1.00 0.00 C ATOM 1098 NZ LYS A 71 6.593 -13.019 -5.881 1.00 0.00 N ATOM 0 H LYS A 71 5.421 -9.636 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 71 6.959 -8.034 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.243 -10.753 -3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.945 -10.689 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.703 -8.858 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.808 -9.983 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.599 -10.758 -6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.292 -10.588 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.428 -12.804 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.477 -12.294 -5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.752 -14.041 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.271 -12.822 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.867 -12.707 -6.557 1.00 0.00 H new ATOM 1112 N TYR A 72 4.803 -7.267 -4.784 1.00 0.00 N ATOM 1113 CA TYR A 72 3.558 -6.788 -5.379 1.00 0.00 C ATOM 1114 C TYR A 72 3.000 -7.799 -6.377 1.00 0.00 C ATOM 1115 O TYR A 72 3.705 -8.251 -7.279 1.00 0.00 O ATOM 1116 CB TYR A 72 3.791 -5.437 -6.064 1.00 0.00 C ATOM 1117 CG TYR A 72 3.408 -4.247 -5.209 1.00 0.00 C ATOM 1118 CD1 TYR A 72 3.370 -4.347 -3.824 1.00 0.00 C ATOM 1119 CD2 TYR A 72 3.087 -3.022 -5.788 1.00 0.00 C ATOM 1120 CE1 TYR A 72 3.025 -3.267 -3.040 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.740 -1.935 -5.008 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.710 -2.061 -3.634 1.00 0.00 C ATOM 1123 OH TYR A 72 2.367 -0.983 -2.854 1.00 0.00 O ATOM 0 H TYR A 72 5.570 -6.596 -4.818 1.00 0.00 H new ATOM 0 HA TYR A 72 2.824 -6.663 -4.583 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.843 -5.354 -6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.219 -5.406 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.615 -5.288 -3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.110 -2.920 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.001 -3.364 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.493 -0.991 -5.472 1.00 0.00 H new ATOM 0 HH TYR A 72 1.853 -0.342 -3.389 1.00 0.00 H new ATOM 1133 N ASN A 73 1.730 -8.152 -6.204 1.00 0.00 N ATOM 1134 CA ASN A 73 1.075 -9.113 -7.083 1.00 0.00 C ATOM 1135 C ASN A 73 0.338 -8.407 -8.214 1.00 0.00 C ATOM 1136 O ASN A 73 0.358 -8.858 -9.360 1.00 0.00 O ATOM 1137 CB ASN A 73 0.097 -9.980 -6.285 1.00 0.00 C ATOM 1138 CG ASN A 73 0.012 -11.396 -6.818 1.00 0.00 C ATOM 1139 OD1 ASN A 73 0.962 -11.906 -7.411 1.00 0.00 O ATOM 1140 ND2 ASN A 73 -1.131 -12.039 -6.610 1.00 0.00 N ATOM 0 H ASN A 73 1.134 -7.786 -5.462 1.00 0.00 H new ATOM 0 HA ASN A 73 1.845 -9.749 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.408 -10.006 -5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.893 -9.525 -6.312 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.247 -12.995 -6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.893 -11.577 -6.113 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.316 -7.300 -7.885 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.064 -6.531 -8.873 1.00 0.00 C ATOM 1149 C GLN A 74 -2.149 -7.388 -9.519 1.00 0.00 C ATOM 1150 O GLN A 74 -1.979 -7.887 -10.632 1.00 0.00 O ATOM 1151 CB GLN A 74 -0.120 -5.988 -9.947 1.00 0.00 C ATOM 1152 CG GLN A 74 -0.575 -4.666 -10.544 1.00 0.00 C ATOM 1153 CD GLN A 74 -0.824 -4.754 -12.037 1.00 0.00 C ATOM 1154 OE1 GLN A 74 0.017 -4.356 -12.844 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -1.984 -5.279 -12.414 1.00 0.00 N ATOM 0 H GLN A 74 -0.344 -6.914 -6.941 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.542 -5.695 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.873 -5.860 -9.515 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.028 -6.725 -10.745 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.489 -4.342 -10.046 1.00 0.00 H new ATOM 0 HG3 GLN A 74 0.181 -3.905 -10.350 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.652 -5.596 -11.712 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.207 -5.365 -13.406 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.262 -7.557 -8.813 1.00 0.00 N ATOM 1165 CA ALA A 75 -4.375 -8.354 -9.315 1.00 0.00 C ATOM 1166 C ALA A 75 -4.866 -7.830 -10.660 1.00 0.00 C ATOM 1167 O ALA A 75 -5.010 -8.589 -11.619 1.00 0.00 O ATOM 1168 CB ALA A 75 -5.511 -8.368 -8.304 1.00 0.00 C ATOM 0 H ALA A 75 -3.417 -7.152 -7.890 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.021 -9.374 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.335 -8.967 -8.691 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.159 -8.799 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.854 -7.348 -8.128 1.00 0.00 H new ATOM 1174 N THR A 76 -5.123 -6.528 -10.724 1.00 0.00 N ATOM 1175 CA THR A 76 -5.599 -5.902 -11.954 1.00 0.00 C ATOM 1176 C THR A 76 -4.855 -4.593 -12.215 1.00 0.00 C ATOM 1177 O THR A 76 -4.075 -4.137 -11.378 1.00 0.00 O ATOM 1178 CB THR A 76 -7.109 -5.644 -11.876 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.378 -4.371 -11.314 1.00 0.00 O ATOM 1180 CG2 THR A 76 -7.856 -6.673 -11.054 1.00 0.00 C ATOM 0 H THR A 76 -5.010 -5.885 -9.940 1.00 0.00 H new ATOM 0 HA THR A 76 -5.403 -6.584 -12.781 1.00 0.00 H new ATOM 0 HB THR A 76 -7.459 -5.702 -12.907 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.841 -3.813 -11.974 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.918 -6.428 -11.042 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.716 -7.661 -11.493 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.472 -6.672 -10.034 1.00 0.00 H new ATOM 1188 N PRO A 77 -5.086 -3.969 -13.382 1.00 0.00 N ATOM 1189 CA PRO A 77 -4.431 -2.707 -13.743 1.00 0.00 C ATOM 1190 C PRO A 77 -4.598 -1.640 -12.667 1.00 0.00 C ATOM 1191 O PRO A 77 -3.793 -0.714 -12.566 1.00 0.00 O ATOM 1192 CB PRO A 77 -5.150 -2.286 -15.028 1.00 0.00 C ATOM 1193 CG PRO A 77 -5.659 -3.559 -15.610 1.00 0.00 C ATOM 1194 CD PRO A 77 -6.003 -4.438 -14.440 1.00 0.00 C ATOM 0 HA PRO A 77 -3.354 -2.827 -13.861 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.965 -1.593 -14.817 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.471 -1.780 -15.714 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.534 -3.380 -16.235 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.906 -4.028 -16.243 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.047 -4.327 -14.146 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.847 -5.492 -14.669 1.00 0.00 H new ATOM 1202 N ASN A 78 -5.650 -1.774 -11.864 1.00 0.00 N ATOM 1203 CA ASN A 78 -5.921 -0.822 -10.795 1.00 0.00 C ATOM 1204 C ASN A 78 -6.074 -1.537 -9.456 1.00 0.00 C ATOM 1205 O ASN A 78 -7.110 -1.433 -8.798 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.185 -0.019 -11.110 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.418 -0.895 -11.213 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.433 -1.882 -11.950 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.461 -0.539 -10.474 1.00 0.00 N ATOM 0 H ASN A 78 -6.328 -2.533 -11.935 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.075 -0.139 -10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.339 0.730 -10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.046 0.519 -12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.318 -1.091 -10.503 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.405 0.286 -9.877 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.035 -2.263 -9.055 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.055 -2.993 -7.793 1.00 0.00 C ATOM 1218 C PHE A 79 -3.668 -3.531 -7.451 1.00 0.00 C ATOM 1219 O PHE A 79 -2.919 -3.953 -8.332 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.059 -4.146 -7.862 1.00 0.00 C ATOM 1221 CG PHE A 79 -6.774 -4.399 -6.564 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.202 -5.200 -5.587 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.016 -3.836 -6.321 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -6.858 -5.435 -4.394 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.676 -4.067 -5.128 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.096 -4.867 -4.164 1.00 0.00 C ATOM 0 H PHE A 79 -4.169 -2.361 -9.586 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.360 -2.301 -7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.795 -3.930 -8.637 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.537 -5.054 -8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.233 -5.645 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.474 -3.209 -7.072 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.403 -6.062 -3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.644 -3.622 -4.951 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.609 -5.049 -3.231 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.335 -3.513 -6.163 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.042 -3.997 -5.696 1.00 0.00 C ATOM 1238 C HIS A 80 -2.206 -4.780 -4.398 1.00 0.00 C ATOM 1239 O HIS A 80 -2.460 -4.202 -3.341 1.00 0.00 O ATOM 1240 CB HIS A 80 -1.077 -2.829 -5.492 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.144 -2.623 -6.645 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.119 -1.384 -7.190 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.587 -3.509 -7.360 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.970 -1.518 -8.190 1.00 0.00 C ATOM 1245 NE2 HIS A 80 1.271 -2.797 -8.314 1.00 0.00 N ATOM 0 H HIS A 80 -3.946 -3.167 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.627 -4.662 -6.454 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.651 -1.917 -5.331 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.493 -3.003 -4.588 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.281 -0.502 -6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.625 -4.578 -7.208 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.355 -0.717 -8.803 1.00 0.00 H new ATOM 1254 N GLN A 81 -2.075 -6.097 -4.489 1.00 0.00 N ATOM 1255 CA GLN A 81 -2.225 -6.963 -3.326 1.00 0.00 C ATOM 1256 C GLN A 81 -0.929 -7.710 -3.016 1.00 0.00 C ATOM 1257 O GLN A 81 -0.422 -8.463 -3.847 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.370 -7.956 -3.568 1.00 0.00 C ATOM 1259 CG GLN A 81 -3.296 -9.217 -2.719 1.00 0.00 C ATOM 1260 CD GLN A 81 -2.711 -10.393 -3.473 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -2.279 -10.258 -4.618 1.00 0.00 O ATOM 1262 NE2 GLN A 81 -2.693 -11.556 -2.834 1.00 0.00 N ATOM 0 H GLN A 81 -1.865 -6.590 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.461 -6.341 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.318 -7.455 -3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.372 -8.240 -4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.691 -9.020 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.296 -9.475 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.062 -11.622 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.310 -12.383 -3.292 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.407 -7.507 -1.808 1.00 0.00 N ATOM 1272 CA TRP A 82 0.819 -8.175 -1.385 1.00 0.00 C ATOM 1273 C TRP A 82 0.616 -8.931 -0.078 1.00 0.00 C ATOM 1274 O TRP A 82 -0.147 -8.506 0.789 1.00 0.00 O ATOM 1275 CB TRP A 82 1.967 -7.177 -1.213 1.00 0.00 C ATOM 1276 CG TRP A 82 1.656 -6.032 -0.296 1.00 0.00 C ATOM 1277 CD1 TRP A 82 1.915 -5.965 1.043 1.00 0.00 C ATOM 1278 CD2 TRP A 82 1.040 -4.787 -0.649 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.504 -4.753 1.543 1.00 0.00 N ATOM 1280 CE2 TRP A 82 0.963 -4.014 0.526 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.547 -4.250 -1.840 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.415 -2.735 0.541 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 0.003 -2.978 -1.822 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.058 -2.234 -0.638 1.00 0.00 C ATOM 0 H TRP A 82 -0.814 -6.887 -1.108 1.00 0.00 H new ATOM 0 HA TRP A 82 1.078 -8.884 -2.171 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.840 -7.707 -0.831 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.238 -6.781 -2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.376 -6.750 1.624 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.588 -4.453 2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.590 -4.817 -2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.366 -2.159 1.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.381 -2.552 -2.737 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.488 -1.243 -0.657 1.00 0.00 H new ATOM 1295 N ARG A 83 1.324 -10.046 0.061 1.00 0.00 N ATOM 1296 CA ARG A 83 1.247 -10.859 1.267 1.00 0.00 C ATOM 1297 C ARG A 83 2.540 -10.721 2.062 1.00 0.00 C ATOM 1298 O ARG A 83 3.606 -11.131 1.602 1.00 0.00 O ATOM 1299 CB ARG A 83 0.996 -12.326 0.914 1.00 0.00 C ATOM 1300 CG ARG A 83 -0.053 -12.990 1.792 1.00 0.00 C ATOM 1301 CD ARG A 83 -0.983 -13.877 0.979 1.00 0.00 C ATOM 1302 NE ARG A 83 -0.267 -14.970 0.328 1.00 0.00 N ATOM 1303 CZ ARG A 83 -0.745 -15.657 -0.707 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -1.940 -15.370 -1.208 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -0.027 -16.636 -1.241 1.00 0.00 N ATOM 0 H ARG A 83 1.960 -10.408 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 83 0.413 -10.508 1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.681 -12.392 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.932 -12.878 1.000 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.439 -13.586 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.635 -12.225 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.755 -14.287 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.490 -13.275 0.224 1.00 0.00 H new ATOM 0 HE ARG A 83 0.654 -15.222 0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.497 -14.620 -0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.301 -15.900 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.891 -16.862 -0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.393 -17.163 -2.034 1.00 0.00 H new ATOM 1319 N ASP A 84 2.447 -10.128 3.245 1.00 0.00 N ATOM 1320 CA ASP A 84 3.619 -9.923 4.083 1.00 0.00 C ATOM 1321 C ASP A 84 3.795 -11.070 5.081 1.00 0.00 C ATOM 1322 O ASP A 84 4.501 -12.038 4.803 1.00 0.00 O ATOM 1323 CB ASP A 84 3.520 -8.567 4.797 1.00 0.00 C ATOM 1324 CG ASP A 84 4.402 -8.468 6.030 1.00 0.00 C ATOM 1325 OD1 ASP A 84 5.619 -8.235 5.872 1.00 0.00 O ATOM 1326 OD2 ASP A 84 3.874 -8.623 7.151 1.00 0.00 O ATOM 0 H ASP A 84 1.575 -9.782 3.644 1.00 0.00 H new ATOM 0 HA ASP A 84 4.505 -9.914 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.794 -7.776 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.484 -8.392 5.086 1.00 0.00 H new ATOM 1331 N ALA A 85 3.157 -10.957 6.240 1.00 0.00 N ATOM 1332 CA ALA A 85 3.256 -11.988 7.265 1.00 0.00 C ATOM 1333 C ALA A 85 2.110 -12.985 7.147 1.00 0.00 C ATOM 1334 O ALA A 85 2.312 -14.141 6.776 1.00 0.00 O ATOM 1335 CB ALA A 85 3.270 -11.356 8.649 1.00 0.00 C ATOM 0 H ALA A 85 2.567 -10.164 6.493 1.00 0.00 H new ATOM 0 HA ALA A 85 4.191 -12.528 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.344 -12.138 9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.126 -10.686 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.350 -10.791 8.800 1.00 0.00 H new ATOM 1341 N ARG A 86 0.907 -12.523 7.462 1.00 0.00 N ATOM 1342 CA ARG A 86 -0.282 -13.369 7.390 1.00 0.00 C ATOM 1343 C ARG A 86 -1.478 -12.602 6.830 1.00 0.00 C ATOM 1344 O ARG A 86 -2.547 -13.175 6.621 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.628 -13.927 8.774 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.944 -14.696 8.812 1.00 0.00 C ATOM 1347 CD ARG A 86 -1.863 -15.893 9.744 1.00 0.00 C ATOM 1348 NE ARG A 86 -2.160 -15.533 11.128 1.00 0.00 N ATOM 1349 CZ ARG A 86 -3.392 -15.341 11.596 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -4.442 -15.475 10.795 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -3.575 -15.014 12.868 1.00 0.00 N ATOM 0 H ARG A 86 0.726 -11.568 7.770 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.057 -14.195 6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.177 -14.585 9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.678 -13.103 9.486 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.745 -14.033 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.199 -15.033 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.563 -16.659 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.865 -16.328 9.689 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.378 -15.422 11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.308 -15.726 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.383 -15.327 11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.772 -14.909 13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.519 -14.867 13.226 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.300 -11.307 6.587 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.372 -10.484 6.055 1.00 0.00 C ATOM 1367 C GLN A 87 -2.115 -10.143 4.598 1.00 0.00 C ATOM 1368 O GLN A 87 -1.088 -10.515 4.031 1.00 0.00 O ATOM 1369 CB GLN A 87 -2.514 -9.199 6.873 1.00 0.00 C ATOM 1370 CG GLN A 87 -3.953 -8.858 7.225 1.00 0.00 C ATOM 1371 CD GLN A 87 -4.207 -8.883 8.718 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -5.213 -9.418 9.181 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.291 -8.298 9.481 1.00 0.00 N ATOM 0 H GLN A 87 -0.425 -10.809 6.751 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.300 -11.051 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.937 -9.298 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.080 -8.371 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.194 -7.869 6.835 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.621 -9.566 6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.471 -7.866 9.054 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.407 -8.280 10.494 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.053 -9.428 3.998 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.930 -9.026 2.606 1.00 0.00 C ATOM 1384 C VAL A 88 -3.443 -7.607 2.419 1.00 0.00 C ATOM 1385 O VAL A 88 -4.576 -7.291 2.783 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.694 -9.975 1.659 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.977 -10.079 0.322 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -3.863 -11.354 2.283 1.00 0.00 C ATOM 0 H VAL A 88 -3.909 -9.114 4.454 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.871 -9.074 2.351 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.687 -9.558 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.528 -10.752 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.918 -9.092 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.971 -10.468 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.405 -12.001 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.882 -11.783 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.423 -11.266 3.214 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.596 -6.751 1.865 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.956 -5.358 1.644 1.00 0.00 C ATOM 1400 C TRP A 89 -3.334 -5.114 0.186 1.00 0.00 C ATOM 1401 O TRP A 89 -2.501 -4.702 -0.621 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.793 -4.453 2.042 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.532 -4.426 3.518 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.734 -5.279 4.226 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.068 -3.497 4.466 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.744 -4.938 5.558 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.556 -3.846 5.730 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.933 -2.405 4.368 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -1.881 -3.140 6.886 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.255 -1.704 5.516 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.730 -2.074 6.759 1.00 0.00 C ATOM 0 H TRP A 89 -1.654 -6.997 1.560 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.823 -5.126 2.262 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.892 -4.787 1.528 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -1.999 -3.439 1.699 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.177 -6.101 3.802 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.231 -5.419 6.297 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.343 -2.113 3.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.478 -3.423 7.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.922 -0.857 5.452 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.000 -1.506 7.637 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.597 -5.364 -0.141 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.070 -5.159 -1.497 1.00 0.00 C ATOM 1424 C GLY A 90 -5.761 -3.835 -1.663 1.00 0.00 C ATOM 1425 O GLY A 90 -6.936 -3.705 -1.358 1.00 0.00 O ATOM 0 H GLY A 90 -5.303 -5.706 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.228 -5.216 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.757 -5.962 -1.766 1.00 0.00 H new ATOM 1429 N LEU A 91 -5.031 -2.844 -2.144 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.599 -1.523 -2.331 1.00 0.00 C ATOM 1431 C LEU A 91 -6.124 -1.332 -3.749 1.00 0.00 C ATOM 1432 O LEU A 91 -5.452 -1.660 -4.727 1.00 0.00 O ATOM 1433 CB LEU A 91 -4.564 -0.448 -1.983 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.542 -0.112 -3.070 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -3.222 1.370 -3.030 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -2.279 -0.940 -2.891 1.00 0.00 C ATOM 0 H LEU A 91 -4.050 -2.929 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.449 -1.424 -1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.096 0.466 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.023 -0.770 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.967 -0.355 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.494 1.606 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.133 1.944 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.809 1.627 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.564 -0.687 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.840 -0.728 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.527 -2.000 -2.955 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.332 -0.796 -3.844 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.959 -0.547 -5.140 1.00 0.00 C ATOM 1450 C ASN A 92 -7.676 0.877 -5.601 1.00 0.00 C ATOM 1451 O ASN A 92 -7.885 1.834 -4.857 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.469 -0.775 -5.064 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.071 -1.122 -6.413 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -10.681 -2.177 -6.577 1.00 0.00 O ATOM 1455 ND2 ASN A 92 -9.902 -0.234 -7.391 1.00 0.00 N ATOM 0 H ASN A 92 -7.900 -0.524 -3.041 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.535 -1.246 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.677 -1.580 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.950 0.122 -4.675 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.285 -0.417 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.389 0.630 -7.213 1.00 0.00 H new ATOM 1462 N PHE A 93 -7.194 1.012 -6.832 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.874 2.319 -7.387 1.00 0.00 C ATOM 1464 C PHE A 93 -8.013 2.859 -8.238 1.00 0.00 C ATOM 1465 O PHE A 93 -8.932 2.127 -8.605 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.589 2.237 -8.210 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.442 1.624 -7.456 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -4.449 0.276 -7.142 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.363 2.394 -7.051 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -3.408 -0.292 -6.440 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.318 1.828 -6.349 1.00 0.00 C ATOM 1472 CZ PHE A 93 -2.341 0.485 -6.043 1.00 0.00 C ATOM 0 H PHE A 93 -7.017 0.231 -7.463 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.726 3.010 -6.557 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.778 1.652 -9.110 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.308 3.239 -8.534 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.281 -0.339 -7.451 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.340 3.448 -7.287 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.428 -1.345 -6.201 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.482 2.438 -6.040 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.524 0.042 -5.493 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.948 4.152 -8.539 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.985 4.779 -9.338 1.00 0.00 C ATOM 1484 C GLY A 94 -8.546 5.061 -10.762 1.00 0.00 C ATOM 1485 O GLY A 94 -9.337 4.935 -11.697 1.00 0.00 O ATOM 0 H GLY A 94 -7.197 4.776 -8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.863 4.133 -9.355 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.286 5.714 -8.864 1.00 0.00 H new ATOM 1489 N SER A 95 -7.286 5.449 -10.930 1.00 0.00 N ATOM 1490 CA SER A 95 -6.752 5.753 -12.254 1.00 0.00 C ATOM 1491 C SER A 95 -5.568 4.853 -12.591 1.00 0.00 C ATOM 1492 O SER A 95 -4.951 4.265 -11.704 1.00 0.00 O ATOM 1493 CB SER A 95 -6.329 7.221 -12.332 1.00 0.00 C ATOM 1494 OG SER A 95 -7.376 8.029 -12.842 1.00 0.00 O ATOM 0 H SER A 95 -6.617 5.560 -10.168 1.00 0.00 H new ATOM 0 HA SER A 95 -7.541 5.568 -12.983 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.044 7.573 -11.341 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.450 7.316 -12.969 1.00 0.00 H new ATOM 0 HG SER A 95 -7.080 8.962 -12.880 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.258 4.755 -13.879 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.146 3.931 -14.337 1.00 0.00 C ATOM 1502 C LYS A 96 -2.826 4.437 -13.766 1.00 0.00 C ATOM 1503 O LYS A 96 -1.999 3.654 -13.298 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.084 3.928 -15.865 1.00 0.00 C ATOM 1505 CG LYS A 96 -5.032 2.930 -16.510 1.00 0.00 C ATOM 1506 CD LYS A 96 -5.602 3.465 -17.815 1.00 0.00 C ATOM 1507 CE LYS A 96 -4.504 3.775 -18.819 1.00 0.00 C ATOM 1508 NZ LYS A 96 -5.055 4.284 -20.106 1.00 0.00 N ATOM 0 H LYS A 96 -5.761 5.236 -14.624 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.309 2.913 -13.984 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.317 4.928 -16.232 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.065 3.703 -16.179 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.504 1.995 -16.699 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.846 2.703 -15.822 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.289 2.733 -18.240 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.181 4.367 -17.617 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.825 4.516 -18.397 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.918 2.875 -19.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.274 4.483 -20.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.683 3.567 -20.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.593 5.157 -19.932 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.636 5.753 -13.808 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.417 6.366 -13.295 1.00 0.00 C ATOM 1524 C GLU A 97 -1.218 6.031 -11.822 1.00 0.00 C ATOM 1525 O GLU A 97 -0.089 5.850 -11.365 1.00 0.00 O ATOM 1526 CB GLU A 97 -1.466 7.884 -13.485 1.00 0.00 C ATOM 1527 CG GLU A 97 -0.835 8.356 -14.784 1.00 0.00 C ATOM 1528 CD GLU A 97 -0.222 9.738 -14.666 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -0.986 10.716 -14.529 1.00 0.00 O ATOM 1530 OE2 GLU A 97 1.022 9.841 -14.709 1.00 0.00 O ATOM 0 H GLU A 97 -3.311 6.414 -14.192 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.573 5.964 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.505 8.212 -13.456 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.957 8.363 -12.649 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.066 7.646 -15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.591 8.364 -15.569 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.318 5.946 -11.084 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.259 5.626 -9.663 1.00 0.00 C ATOM 1539 C ASP A 98 -1.592 4.274 -9.447 1.00 0.00 C ATOM 1540 O ASP A 98 -0.502 4.188 -8.880 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.666 5.611 -9.061 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.447 6.870 -9.382 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.815 7.888 -9.730 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.691 6.836 -9.283 1.00 0.00 O ATOM 0 H ASP A 98 -3.260 6.094 -11.445 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.668 6.394 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.210 4.744 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.594 5.498 -7.979 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.255 3.219 -9.906 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.733 1.867 -9.768 1.00 0.00 C ATOM 1551 C ALA A 99 -0.351 1.740 -10.402 1.00 0.00 C ATOM 1552 O ALA A 99 0.475 0.943 -9.956 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.699 0.870 -10.389 1.00 0.00 C ATOM 0 H ALA A 99 -3.157 3.275 -10.378 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.631 1.647 -8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.300 -0.139 -10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.663 0.935 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.827 1.098 -11.447 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.101 2.530 -11.443 1.00 0.00 N ATOM 1560 CA ALA A 100 1.185 2.499 -12.129 1.00 0.00 C ATOM 1561 C ALA A 100 2.260 3.198 -11.304 1.00 0.00 C ATOM 1562 O ALA A 100 3.384 2.708 -11.185 1.00 0.00 O ATOM 1563 CB ALA A 100 1.065 3.146 -13.500 1.00 0.00 C ATOM 0 H ALA A 100 -0.770 3.197 -11.828 1.00 0.00 H new ATOM 0 HA ALA A 100 1.480 1.457 -12.256 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.032 3.117 -14.002 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.330 2.604 -14.095 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.746 4.182 -13.387 1.00 0.00 H new ATOM 1569 N GLN A 101 1.907 4.345 -10.737 1.00 0.00 N ATOM 1570 CA GLN A 101 2.835 5.120 -9.922 1.00 0.00 C ATOM 1571 C GLN A 101 3.158 4.388 -8.625 1.00 0.00 C ATOM 1572 O GLN A 101 4.313 4.331 -8.194 1.00 0.00 O ATOM 1573 CB GLN A 101 2.234 6.489 -9.602 1.00 0.00 C ATOM 1574 CG GLN A 101 3.263 7.540 -9.215 1.00 0.00 C ATOM 1575 CD GLN A 101 4.349 7.710 -10.258 1.00 0.00 C ATOM 1576 OE1 GLN A 101 4.315 8.643 -11.061 1.00 0.00 O ATOM 1577 NE2 GLN A 101 5.322 6.807 -10.249 1.00 0.00 N ATOM 0 H GLN A 101 0.980 4.761 -10.827 1.00 0.00 H new ATOM 0 HA GLN A 101 3.757 5.251 -10.488 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.678 6.842 -10.470 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.518 6.379 -8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.760 8.495 -9.061 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.719 7.263 -8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.309 6.050 -9.565 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.082 6.870 -10.926 1.00 0.00 H new ATOM 1586 N PHE A 102 2.123 3.837 -8.005 1.00 0.00 N ATOM 1587 CA PHE A 102 2.272 3.113 -6.751 1.00 0.00 C ATOM 1588 C PHE A 102 3.356 2.043 -6.853 1.00 0.00 C ATOM 1589 O PHE A 102 4.298 2.025 -6.062 1.00 0.00 O ATOM 1590 CB PHE A 102 0.936 2.487 -6.353 1.00 0.00 C ATOM 1591 CG PHE A 102 0.790 2.264 -4.878 1.00 0.00 C ATOM 1592 CD1 PHE A 102 0.954 3.316 -3.994 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.483 1.009 -4.374 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.818 3.124 -2.635 1.00 0.00 C ATOM 1595 CE2 PHE A 102 0.345 0.810 -3.015 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.512 1.870 -2.143 1.00 0.00 C ATOM 0 H PHE A 102 1.165 3.879 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 102 2.579 3.820 -5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.127 3.131 -6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.824 1.533 -6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.191 4.299 -4.373 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.351 0.179 -5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.951 3.953 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.107 -0.172 -2.634 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.403 1.718 -1.079 1.00 0.00 H new ATOM 1606 N ALA A 103 3.225 1.159 -7.837 1.00 0.00 N ATOM 1607 CA ALA A 103 4.207 0.100 -8.039 1.00 0.00 C ATOM 1608 C ALA A 103 5.585 0.687 -8.310 1.00 0.00 C ATOM 1609 O ALA A 103 6.607 0.078 -7.993 1.00 0.00 O ATOM 1610 CB ALA A 103 3.785 -0.797 -9.190 1.00 0.00 C ATOM 0 H ALA A 103 2.453 1.155 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 103 4.259 -0.496 -7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.527 -1.583 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.818 -1.247 -8.965 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.707 -0.206 -10.102 1.00 0.00 H new ATOM 1616 N ALA A 104 5.602 1.876 -8.900 1.00 0.00 N ATOM 1617 CA ALA A 104 6.850 2.560 -9.224 1.00 0.00 C ATOM 1618 C ALA A 104 7.789 2.587 -8.024 1.00 0.00 C ATOM 1619 O ALA A 104 8.868 1.991 -8.047 1.00 0.00 O ATOM 1620 CB ALA A 104 6.563 3.978 -9.696 1.00 0.00 C ATOM 0 H ALA A 104 4.762 2.390 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 104 7.340 2.008 -10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.501 4.479 -9.935 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.933 3.945 -10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.049 4.527 -8.907 1.00 0.00 H new ATOM 1626 N GLY A 105 7.365 3.274 -6.972 1.00 0.00 N ATOM 1627 CA GLY A 105 8.178 3.362 -5.773 1.00 0.00 C ATOM 1628 C GLY A 105 8.347 2.021 -5.103 1.00 0.00 C ATOM 1629 O GLY A 105 9.464 1.598 -4.809 1.00 0.00 O ATOM 0 H GLY A 105 6.475 3.771 -6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.158 3.765 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.718 4.061 -5.074 1.00 0.00 H new ATOM 1633 N MET A 106 7.227 1.349 -4.866 1.00 0.00 N ATOM 1634 CA MET A 106 7.239 0.041 -4.231 1.00 0.00 C ATOM 1635 C MET A 106 8.282 -0.860 -4.875 1.00 0.00 C ATOM 1636 O MET A 106 9.225 -1.302 -4.222 1.00 0.00 O ATOM 1637 CB MET A 106 5.862 -0.605 -4.336 1.00 0.00 C ATOM 1638 CG MET A 106 5.827 -2.018 -3.795 1.00 0.00 C ATOM 1639 SD MET A 106 5.679 -2.059 -2.002 1.00 0.00 S ATOM 1640 CE MET A 106 5.760 -3.821 -1.733 1.00 0.00 C ATOM 0 H MET A 106 6.297 1.692 -5.106 1.00 0.00 H new ATOM 0 HA MET A 106 7.495 0.173 -3.180 1.00 0.00 H new ATOM 0 HB2 MET A 106 5.139 0.004 -3.793 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.550 -0.614 -5.380 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.988 -2.554 -4.239 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.735 -2.542 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.877 -4.146 -1.183 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.799 -4.334 -2.694 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.654 -4.060 -1.157 1.00 0.00 H new ATOM 1650 N ALA A 107 8.101 -1.124 -6.165 1.00 0.00 N ATOM 1651 CA ALA A 107 9.028 -1.966 -6.913 1.00 0.00 C ATOM 1652 C ALA A 107 10.467 -1.597 -6.580 1.00 0.00 C ATOM 1653 O ALA A 107 11.335 -2.464 -6.478 1.00 0.00 O ATOM 1654 CB ALA A 107 8.775 -1.835 -8.408 1.00 0.00 C ATOM 0 H ALA A 107 7.320 -0.766 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 107 8.864 -3.004 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.475 -2.469 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.754 -2.144 -8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.915 -0.797 -8.711 1.00 0.00 H new ATOM 1660 N SER A 108 10.705 -0.302 -6.391 1.00 0.00 N ATOM 1661 CA SER A 108 12.033 0.186 -6.044 1.00 0.00 C ATOM 1662 C SER A 108 12.434 -0.320 -4.662 1.00 0.00 C ATOM 1663 O SER A 108 13.581 -0.707 -4.440 1.00 0.00 O ATOM 1664 CB SER A 108 12.064 1.715 -6.073 1.00 0.00 C ATOM 1665 OG SER A 108 13.389 2.196 -6.230 1.00 0.00 O ATOM 0 H SER A 108 9.995 0.426 -6.473 1.00 0.00 H new ATOM 0 HA SER A 108 12.745 -0.191 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.442 2.079 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.638 2.108 -5.150 1.00 0.00 H new ATOM 0 HG SER A 108 13.381 3.176 -6.247 1.00 0.00 H new ATOM 1671 N ALA A 109 11.475 -0.323 -3.740 1.00 0.00 N ATOM 1672 CA ALA A 109 11.722 -0.794 -2.379 1.00 0.00 C ATOM 1673 C ALA A 109 12.100 -2.269 -2.379 1.00 0.00 C ATOM 1674 O ALA A 109 13.152 -2.651 -1.875 1.00 0.00 O ATOM 1675 CB ALA A 109 10.494 -0.567 -1.506 1.00 0.00 C ATOM 0 H ALA A 109 10.521 -0.005 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 109 12.555 -0.224 -1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.695 -0.923 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.261 0.497 -1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.647 -1.112 -1.921 1.00 0.00 H new ATOM 1681 N LEU A 110 11.228 -3.089 -2.950 1.00 0.00 N ATOM 1682 CA LEU A 110 11.452 -4.529 -3.019 1.00 0.00 C ATOM 1683 C LEU A 110 12.735 -4.864 -3.783 1.00 0.00 C ATOM 1684 O LEU A 110 13.245 -5.980 -3.691 1.00 0.00 O ATOM 1685 CB LEU A 110 10.257 -5.223 -3.685 1.00 0.00 C ATOM 1686 CG LEU A 110 8.879 -4.635 -3.351 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.819 -5.184 -4.293 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.507 -4.921 -1.902 1.00 0.00 C ATOM 0 H LEU A 110 10.354 -2.780 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 110 11.561 -4.893 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.395 -5.188 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.263 -6.274 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 110 8.930 -3.554 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.850 -4.755 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.074 -4.923 -5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.772 -6.269 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.527 -4.495 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.478 -5.998 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 110 9.249 -4.474 -1.241 1.00 0.00 H new ATOM 1700 N GLU A 111 13.249 -3.901 -4.546 1.00 0.00 N ATOM 1701 CA GLU A 111 14.463 -4.112 -5.331 1.00 0.00 C ATOM 1702 C GLU A 111 15.713 -3.677 -4.574 1.00 0.00 C ATOM 1703 O GLU A 111 16.796 -4.228 -4.774 1.00 0.00 O ATOM 1704 CB GLU A 111 14.371 -3.346 -6.648 1.00 0.00 C ATOM 1705 CG GLU A 111 14.212 -4.251 -7.851 1.00 0.00 C ATOM 1706 CD GLU A 111 14.073 -3.481 -9.149 1.00 0.00 C ATOM 1707 OE1 GLU A 111 14.774 -2.461 -9.313 1.00 0.00 O ATOM 1708 OE2 GLU A 111 13.263 -3.900 -10.004 1.00 0.00 O ATOM 0 H GLU A 111 12.844 -2.969 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 111 14.545 -5.181 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.526 -2.659 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 111 15.268 -2.740 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.074 -4.914 -7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.334 -4.882 -7.712 1.00 0.00 H new ATOM 1715 N ALA A 112 15.555 -2.693 -3.705 1.00 0.00 N ATOM 1716 CA ALA A 112 16.671 -2.184 -2.914 1.00 0.00 C ATOM 1717 C ALA A 112 16.708 -2.852 -1.551 1.00 0.00 C ATOM 1718 O ALA A 112 17.559 -2.545 -0.716 1.00 0.00 O ATOM 1719 CB ALA A 112 16.570 -0.675 -2.756 1.00 0.00 C ATOM 0 H ALA A 112 14.665 -2.228 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 112 17.596 -2.418 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 112 17.411 -0.314 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 112 16.590 -0.204 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.637 -0.424 -2.252 1.00 0.00 H new ATOM 1725 N LEU A 113 15.772 -3.762 -1.334 1.00 0.00 N ATOM 1726 CA LEU A 113 15.675 -4.474 -0.082 1.00 0.00 C ATOM 1727 C LEU A 113 16.043 -5.940 -0.277 1.00 0.00 C ATOM 1728 O LEU A 113 16.679 -6.553 0.579 1.00 0.00 O ATOM 1729 CB LEU A 113 14.252 -4.330 0.456 1.00 0.00 C ATOM 1730 CG LEU A 113 14.128 -3.683 1.837 1.00 0.00 C ATOM 1731 CD1 LEU A 113 14.463 -4.683 2.932 1.00 0.00 C ATOM 1732 CD2 LEU A 113 15.029 -2.457 1.939 1.00 0.00 C ATOM 0 H LEU A 113 15.064 -4.023 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 113 16.374 -4.053 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.672 -3.741 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.796 -5.319 0.496 1.00 0.00 H new ATOM 0 HG LEU A 113 13.095 -3.363 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.368 -4.202 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 113 13.776 -5.527 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 113 15.485 -5.038 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.926 -2.011 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.066 -2.753 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.740 -1.729 1.181 1.00 0.00 H new ATOM 1744 N GLU A 114 15.651 -6.490 -1.424 1.00 0.00 N ATOM 1745 CA GLU A 114 15.949 -7.880 -1.748 1.00 0.00 C ATOM 1746 C GLU A 114 17.331 -7.998 -2.384 1.00 0.00 C ATOM 1747 O GLU A 114 18.021 -9.001 -2.210 1.00 0.00 O ATOM 1748 CB GLU A 114 14.891 -8.446 -2.696 1.00 0.00 C ATOM 1749 CG GLU A 114 13.610 -8.871 -1.997 1.00 0.00 C ATOM 1750 CD GLU A 114 13.172 -10.271 -2.381 1.00 0.00 C ATOM 1751 OE1 GLU A 114 13.289 -10.623 -3.574 1.00 0.00 O ATOM 1752 OE2 GLU A 114 12.713 -11.015 -1.489 1.00 0.00 O ATOM 0 H GLU A 114 15.126 -5.993 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 114 15.938 -8.455 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.652 -7.695 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.309 -9.304 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.757 -8.823 -0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.816 -8.166 -2.242 1.00 0.00 H new ATOM 1759 N GLY A 115 17.728 -6.963 -3.122 1.00 0.00 N ATOM 1760 CA GLY A 115 19.025 -6.973 -3.772 1.00 0.00 C ATOM 1761 C GLY A 115 19.085 -6.033 -4.961 1.00 0.00 C ATOM 1762 O GLY A 115 20.069 -5.271 -5.067 1.00 0.00 O ATOM 1763 OXT GLY A 115 18.148 -6.062 -5.788 1.00 0.00 O ATOM 0 H GLY A 115 17.175 -6.121 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 115 19.792 -6.691 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 115 19.255 -7.986 -4.102 1.00 0.00 H new TER 1767 GLY A 115