USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl -152:sc= -0.148 (180deg=-0.904) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 79:sc= 0.537 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= 0.0365 K(o=0.037,f=-1.3) USER MOD Single : A 25 TYR OH : rot 150:sc= -0.167 USER MOD Single : A 27 GLN : amide:sc= -0.728 K(o=-0.73,f=-3.9!) USER MOD Single : A 29 SER OG : rot 110:sc= -0.976 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= -0.81 USER MOD Single : A 36 CYS SG : rot 180:sc=-0.00414 USER MOD Single : A 38 TYR OH : rot 139:sc= -0.619 USER MOD Single : A 40 ASN : amide:sc= -0.134 K(o=-0.13,f=-0.86) USER MOD Single : A 41 SER OG : rot -36:sc= 0.765 USER MOD Single : A 44 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.86) USER MOD Single : A 49 GLN : amide:sc= -0.0872 X(o=-0.087,f=-0.001) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.9!) USER MOD Single : A 65 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 83 THR OG1 : rot 154:sc= 0.26 USER MOD Single : A 87 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.16) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.862 K(o=-0.86,f=-2.4!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 84:sc= 0.0858 USER MOD Single : A 111 THR OG1 : rot 74:sc= 0.287 USER MOD Single : A 112 LYS NZ :NH3+ 153:sc= -0.261 (180deg=-1.45!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -18.225 -15.531 0.657 1.00 0.00 N ATOM 2 CA MET A 9 -16.932 -14.846 0.950 1.00 0.00 C ATOM 3 C MET A 9 -16.051 -14.730 -0.294 1.00 0.00 C ATOM 4 O MET A 9 -15.351 -13.731 -0.469 1.00 0.00 O ATOM 5 CB MET A 9 -16.190 -15.623 2.044 1.00 0.00 C ATOM 6 CG MET A 9 -15.672 -14.745 3.173 1.00 0.00 C ATOM 7 SD MET A 9 -13.914 -14.377 3.016 1.00 0.00 S ATOM 8 CE MET A 9 -13.232 -15.467 4.263 1.00 0.00 C ATOM 0 HA MET A 9 -17.152 -13.833 1.288 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.859 -16.377 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 9 -15.351 -16.154 1.595 1.00 0.00 H new ATOM 0 HG2 MET A 9 -16.235 -13.812 3.189 1.00 0.00 H new ATOM 0 HG3 MET A 9 -15.851 -15.242 4.126 1.00 0.00 H new ATOM 0 HE1 MET A 9 -12.302 -15.046 4.646 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.945 -15.576 5.080 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.033 -16.444 3.823 1.00 0.00 H new ATOM 18 N SER A 10 -16.089 -15.751 -1.153 1.00 0.00 N ATOM 19 CA SER A 10 -15.293 -15.761 -2.383 1.00 0.00 C ATOM 20 C SER A 10 -15.525 -14.495 -3.206 1.00 0.00 C ATOM 21 O SER A 10 -14.606 -13.988 -3.845 1.00 0.00 O ATOM 22 CB SER A 10 -15.619 -16.995 -3.231 1.00 0.00 C ATOM 23 OG SER A 10 -17.016 -17.135 -3.418 1.00 0.00 O ATOM 0 H SER A 10 -16.664 -16.583 -1.019 1.00 0.00 H new ATOM 0 HA SER A 10 -14.243 -15.796 -2.091 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.126 -16.914 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.223 -17.887 -2.746 1.00 0.00 H new ATOM 0 HG SER A 10 -17.195 -17.929 -3.964 1.00 0.00 H new ATOM 29 N ALA A 11 -16.763 -13.990 -3.181 1.00 0.00 N ATOM 30 CA ALA A 11 -17.120 -12.780 -3.921 1.00 0.00 C ATOM 31 C ALA A 11 -16.158 -11.634 -3.615 1.00 0.00 C ATOM 32 O ALA A 11 -15.826 -10.843 -4.497 1.00 0.00 O ATOM 33 CB ALA A 11 -18.552 -12.363 -3.605 1.00 0.00 C ATOM 0 H ALA A 11 -17.534 -14.403 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.044 -13.009 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.800 -11.461 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.235 -13.164 -3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.646 -12.165 -2.537 1.00 0.00 H new ATOM 39 N PHE A 12 -15.713 -11.555 -2.362 1.00 0.00 N ATOM 40 CA PHE A 12 -14.787 -10.512 -1.941 1.00 0.00 C ATOM 41 C PHE A 12 -13.346 -10.903 -2.262 1.00 0.00 C ATOM 42 O PHE A 12 -12.549 -10.066 -2.687 1.00 0.00 O ATOM 43 CB PHE A 12 -14.934 -10.244 -0.441 1.00 0.00 C ATOM 44 CG PHE A 12 -16.041 -9.284 -0.103 1.00 0.00 C ATOM 45 CD1 PHE A 12 -17.370 -9.672 -0.191 1.00 0.00 C ATOM 46 CD2 PHE A 12 -15.751 -7.991 0.304 1.00 0.00 C ATOM 47 CE1 PHE A 12 -18.387 -8.789 0.121 1.00 0.00 C ATOM 48 CE2 PHE A 12 -16.766 -7.106 0.615 1.00 0.00 C ATOM 49 CZ PHE A 12 -18.083 -7.503 0.524 1.00 0.00 C ATOM 0 H PHE A 12 -15.981 -12.203 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.029 -9.602 -2.490 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.115 -11.189 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.993 -9.849 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.613 -10.676 -0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.722 -7.672 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -19.418 -9.104 0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.527 -6.101 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.875 -6.810 0.767 1.00 0.00 H new ATOM 59 N VAL A 13 -13.018 -12.181 -2.059 1.00 0.00 N ATOM 60 CA VAL A 13 -11.672 -12.682 -2.328 1.00 0.00 C ATOM 61 C VAL A 13 -11.286 -12.453 -3.788 1.00 0.00 C ATOM 62 O VAL A 13 -10.199 -11.954 -4.081 1.00 0.00 O ATOM 63 CB VAL A 13 -11.546 -14.187 -2.001 1.00 0.00 C ATOM 64 CG1 VAL A 13 -10.101 -14.649 -2.132 1.00 0.00 C ATOM 65 CG2 VAL A 13 -12.081 -14.484 -0.606 1.00 0.00 C ATOM 0 H VAL A 13 -13.667 -12.886 -1.709 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.994 -12.126 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.148 -14.741 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.036 -15.711 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.756 -14.481 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.475 -14.086 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.982 -15.549 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.512 -13.916 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.132 -14.200 -0.551 1.00 0.00 H new ATOM 75 N THR A 14 -12.191 -12.814 -4.698 1.00 0.00 N ATOM 76 CA THR A 14 -11.956 -12.647 -6.130 1.00 0.00 C ATOM 77 C THR A 14 -11.755 -11.171 -6.482 1.00 0.00 C ATOM 78 O THR A 14 -10.869 -10.832 -7.268 1.00 0.00 O ATOM 79 CB THR A 14 -13.128 -13.221 -6.934 1.00 0.00 C ATOM 80 OG1 THR A 14 -13.446 -14.530 -6.490 1.00 0.00 O ATOM 81 CG2 THR A 14 -12.855 -13.295 -8.422 1.00 0.00 C ATOM 0 H THR A 14 -13.095 -13.225 -4.467 1.00 0.00 H new ATOM 0 HA THR A 14 -11.047 -13.191 -6.388 1.00 0.00 H new ATOM 0 HB THR A 14 -13.957 -12.534 -6.767 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.975 -14.477 -5.667 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.725 -13.710 -8.931 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.653 -12.295 -8.805 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.990 -13.934 -8.602 1.00 0.00 H new ATOM 89 N LYS A 15 -12.575 -10.299 -5.888 1.00 0.00 N ATOM 90 CA LYS A 15 -12.474 -8.861 -6.138 1.00 0.00 C ATOM 91 C LYS A 15 -11.094 -8.338 -5.741 1.00 0.00 C ATOM 92 O LYS A 15 -10.516 -7.498 -6.432 1.00 0.00 O ATOM 93 CB LYS A 15 -13.562 -8.102 -5.369 1.00 0.00 C ATOM 94 CG LYS A 15 -14.916 -8.109 -6.060 1.00 0.00 C ATOM 95 CD LYS A 15 -16.031 -7.729 -5.100 1.00 0.00 C ATOM 96 CE LYS A 15 -17.366 -7.619 -5.819 1.00 0.00 C ATOM 97 NZ LYS A 15 -18.488 -8.158 -4.999 1.00 0.00 N ATOM 0 H LYS A 15 -13.312 -10.563 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.616 -8.694 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.668 -8.542 -4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.242 -7.070 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.902 -7.412 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.111 -9.099 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.102 -8.475 -4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.794 -6.779 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.563 -6.574 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.315 -8.160 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.380 -8.064 -5.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.314 -9.162 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.554 -7.625 -4.108 1.00 0.00 H new ATOM 111 N ALA A 16 -10.569 -8.848 -4.626 1.00 0.00 N ATOM 112 CA ALA A 16 -9.252 -8.445 -4.139 1.00 0.00 C ATOM 113 C ALA A 16 -8.161 -8.827 -5.135 1.00 0.00 C ATOM 114 O ALA A 16 -7.260 -8.035 -5.414 1.00 0.00 O ATOM 115 CB ALA A 16 -8.970 -9.072 -2.780 1.00 0.00 C ATOM 0 H ALA A 16 -11.038 -9.542 -4.043 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.250 -7.360 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.985 -8.761 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.726 -8.747 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.997 -10.158 -2.868 1.00 0.00 H new ATOM 121 N GLU A 17 -8.252 -10.046 -5.670 1.00 0.00 N ATOM 122 CA GLU A 17 -7.275 -10.534 -6.640 1.00 0.00 C ATOM 123 C GLU A 17 -7.314 -9.704 -7.920 1.00 0.00 C ATOM 124 O GLU A 17 -6.270 -9.365 -8.480 1.00 0.00 O ATOM 125 CB GLU A 17 -7.528 -12.009 -6.960 1.00 0.00 C ATOM 126 CG GLU A 17 -7.208 -12.943 -5.804 1.00 0.00 C ATOM 127 CD GLU A 17 -6.400 -14.152 -6.237 1.00 0.00 C ATOM 128 OE1 GLU A 17 -5.204 -13.984 -6.557 1.00 0.00 O ATOM 129 OE2 GLU A 17 -6.963 -15.268 -6.252 1.00 0.00 O ATOM 0 H GLU A 17 -8.992 -10.711 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.284 -10.435 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.573 -12.137 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.927 -12.294 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.655 -12.395 -5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.138 -13.278 -5.344 1.00 0.00 H new ATOM 136 N GLU A 18 -8.521 -9.370 -8.378 1.00 0.00 N ATOM 137 CA GLU A 18 -8.685 -8.566 -9.587 1.00 0.00 C ATOM 138 C GLU A 18 -8.047 -7.186 -9.412 1.00 0.00 C ATOM 139 O GLU A 18 -7.479 -6.633 -10.354 1.00 0.00 O ATOM 140 CB GLU A 18 -10.170 -8.414 -9.930 1.00 0.00 C ATOM 141 CG GLU A 18 -10.805 -9.676 -10.496 1.00 0.00 C ATOM 142 CD GLU A 18 -12.321 -9.644 -10.436 1.00 0.00 C ATOM 143 OE1 GLU A 18 -12.921 -8.740 -11.053 1.00 0.00 O ATOM 144 OE2 GLU A 18 -12.908 -10.522 -9.773 1.00 0.00 O ATOM 0 H GLU A 18 -9.396 -9.643 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.182 -9.080 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.712 -8.118 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.285 -7.606 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.489 -9.805 -11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.441 -10.541 -9.942 1.00 0.00 H new ATOM 151 N MET A 19 -8.149 -6.634 -8.199 1.00 0.00 N ATOM 152 CA MET A 19 -7.584 -5.319 -7.898 1.00 0.00 C ATOM 153 C MET A 19 -6.059 -5.330 -7.992 1.00 0.00 C ATOM 154 O MET A 19 -5.467 -4.478 -8.653 1.00 0.00 O ATOM 155 CB MET A 19 -8.016 -4.858 -6.504 1.00 0.00 C ATOM 156 CG MET A 19 -9.256 -3.980 -6.510 1.00 0.00 C ATOM 157 SD MET A 19 -8.865 -2.234 -6.730 1.00 0.00 S ATOM 158 CE MET A 19 -10.034 -1.475 -5.605 1.00 0.00 C ATOM 0 H MET A 19 -8.618 -7.079 -7.410 1.00 0.00 H new ATOM 0 HA MET A 19 -7.965 -4.619 -8.642 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.204 -5.734 -5.883 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.195 -4.310 -6.041 1.00 0.00 H new ATOM 0 HG2 MET A 19 -9.922 -4.303 -7.310 1.00 0.00 H new ATOM 0 HG3 MET A 19 -9.796 -4.113 -5.572 1.00 0.00 H new ATOM 0 HE1 MET A 19 -9.913 -0.392 -5.631 1.00 0.00 H new ATOM 0 HE2 MET A 19 -11.049 -1.734 -5.906 1.00 0.00 H new ATOM 0 HE3 MET A 19 -9.852 -1.836 -4.593 1.00 0.00 H new ATOM 168 N ILE A 20 -5.428 -6.303 -7.333 1.00 0.00 N ATOM 169 CA ILE A 20 -3.976 -6.426 -7.346 1.00 0.00 C ATOM 170 C ILE A 20 -3.466 -6.896 -8.709 1.00 0.00 C ATOM 171 O ILE A 20 -2.274 -6.792 -8.999 1.00 0.00 O ATOM 172 CB ILE A 20 -3.485 -7.402 -6.257 1.00 0.00 C ATOM 173 CG1 ILE A 20 -4.151 -8.776 -6.408 1.00 0.00 C ATOM 174 CG2 ILE A 20 -3.746 -6.830 -4.871 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.504 -9.858 -5.571 1.00 0.00 C ATOM 0 H ILE A 20 -5.905 -7.018 -6.783 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.576 -5.433 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.410 -7.534 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.202 -8.693 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.120 -9.072 -7.457 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.393 -7.532 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.216 -5.883 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.815 -6.664 -4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.027 -10.801 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.460 -9.969 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.558 -9.584 -4.517 1.00 0.00 H new ATOM 187 N LYS A 21 -4.372 -7.413 -9.540 1.00 0.00 N ATOM 188 CA LYS A 21 -4.011 -7.900 -10.866 1.00 0.00 C ATOM 189 C LYS A 21 -3.441 -6.776 -11.728 1.00 0.00 C ATOM 190 O LYS A 21 -2.275 -6.814 -12.119 1.00 0.00 O ATOM 191 CB LYS A 21 -5.232 -8.512 -11.554 1.00 0.00 C ATOM 192 CG LYS A 21 -4.945 -9.830 -12.254 1.00 0.00 C ATOM 193 CD LYS A 21 -5.322 -9.778 -13.726 1.00 0.00 C ATOM 194 CE LYS A 21 -4.282 -10.470 -14.594 1.00 0.00 C ATOM 195 NZ LYS A 21 -4.785 -11.757 -15.153 1.00 0.00 N ATOM 0 H LYS A 21 -5.363 -7.504 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.243 -8.665 -10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.015 -8.668 -10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.621 -7.801 -12.283 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.886 -10.070 -12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.499 -10.631 -11.764 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.292 -10.253 -13.871 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.426 -8.739 -14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.994 -9.808 -15.411 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.385 -10.657 -14.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.045 -12.195 -15.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.036 -12.399 -14.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.626 -11.576 -15.738 1.00 0.00 H new ATOM 209 N SER A 22 -4.273 -5.774 -12.018 1.00 0.00 N ATOM 210 CA SER A 22 -3.854 -4.634 -12.833 1.00 0.00 C ATOM 211 C SER A 22 -3.180 -3.567 -11.975 1.00 0.00 C ATOM 212 O SER A 22 -2.388 -2.768 -12.478 1.00 0.00 O ATOM 213 CB SER A 22 -5.055 -4.036 -13.574 1.00 0.00 C ATOM 214 OG SER A 22 -4.664 -2.943 -14.394 1.00 0.00 O ATOM 0 H SER A 22 -5.241 -5.730 -11.700 1.00 0.00 H new ATOM 0 HA SER A 22 -3.130 -4.991 -13.566 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.525 -4.804 -14.188 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.801 -3.703 -12.853 1.00 0.00 H new ATOM 0 HG SER A 22 -5.450 -2.583 -14.855 1.00 0.00 H new ATOM 220 N HIS A 23 -3.493 -3.559 -10.679 1.00 0.00 N ATOM 221 CA HIS A 23 -2.905 -2.591 -9.760 1.00 0.00 C ATOM 222 C HIS A 23 -2.096 -3.298 -8.670 1.00 0.00 C ATOM 223 O HIS A 23 -2.457 -3.259 -7.492 1.00 0.00 O ATOM 224 CB HIS A 23 -3.993 -1.720 -9.123 1.00 0.00 C ATOM 225 CG HIS A 23 -4.695 -0.807 -10.085 1.00 0.00 C ATOM 226 ND1 HIS A 23 -4.268 -0.595 -11.382 1.00 0.00 N ATOM 227 CD2 HIS A 23 -5.804 -0.046 -9.929 1.00 0.00 C ATOM 228 CE1 HIS A 23 -5.084 0.256 -11.978 1.00 0.00 C ATOM 229 NE2 HIS A 23 -6.024 0.603 -11.118 1.00 0.00 N ATOM 0 H HIS A 23 -4.148 -4.210 -10.246 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.233 -1.951 -10.332 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.731 -2.368 -8.651 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.544 -1.119 -8.332 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -3.451 -1.028 -11.812 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.404 0.035 -9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.997 0.608 -12.995 1.00 0.00 H new ATOM 238 N PRO A 24 -0.982 -3.955 -9.050 1.00 0.00 N ATOM 239 CA PRO A 24 -0.118 -4.669 -8.099 1.00 0.00 C ATOM 240 C PRO A 24 0.640 -3.720 -7.171 1.00 0.00 C ATOM 241 O PRO A 24 0.964 -4.076 -6.037 1.00 0.00 O ATOM 242 CB PRO A 24 0.856 -5.430 -9.003 1.00 0.00 C ATOM 243 CG PRO A 24 0.905 -4.634 -10.261 1.00 0.00 C ATOM 244 CD PRO A 24 -0.471 -4.052 -10.433 1.00 0.00 C ATOM 0 HA PRO A 24 -0.693 -5.313 -7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.842 -5.508 -8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.510 -6.446 -9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.657 -3.847 -10.197 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.173 -5.262 -11.111 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.436 -3.076 -10.917 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.103 -4.691 -11.050 1.00 0.00 H new ATOM 252 N TYR A 25 0.919 -2.510 -7.662 1.00 0.00 N ATOM 253 CA TYR A 25 1.634 -1.508 -6.884 1.00 0.00 C ATOM 254 C TYR A 25 0.647 -0.575 -6.176 1.00 0.00 C ATOM 255 O TYR A 25 0.550 0.612 -6.506 1.00 0.00 O ATOM 256 CB TYR A 25 2.563 -0.704 -7.799 1.00 0.00 C ATOM 257 CG TYR A 25 3.915 -1.349 -8.036 1.00 0.00 C ATOM 258 CD1 TYR A 25 4.037 -2.720 -8.243 1.00 0.00 C ATOM 259 CD2 TYR A 25 5.072 -0.579 -8.057 1.00 0.00 C ATOM 260 CE1 TYR A 25 5.272 -3.302 -8.465 1.00 0.00 C ATOM 261 CE2 TYR A 25 6.309 -1.154 -8.277 1.00 0.00 C ATOM 262 CZ TYR A 25 6.403 -2.514 -8.480 1.00 0.00 C ATOM 263 OH TYR A 25 7.636 -3.089 -8.699 1.00 0.00 O ATOM 0 H TYR A 25 0.657 -2.204 -8.599 1.00 0.00 H new ATOM 0 HA TYR A 25 2.233 -2.013 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.070 -0.557 -8.760 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.716 0.284 -7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.153 -3.340 -8.230 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.003 0.487 -7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.350 -4.367 -8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.198 -0.541 -8.290 1.00 0.00 H new ATOM 0 HH TYR A 25 8.224 -2.443 -9.143 1.00 0.00 H new ATOM 273 N PHE A 26 -0.093 -1.123 -5.211 1.00 0.00 N ATOM 274 CA PHE A 26 -1.082 -0.348 -4.464 1.00 0.00 C ATOM 275 C PHE A 26 -0.618 -0.082 -3.035 1.00 0.00 C ATOM 276 O PHE A 26 -0.262 -1.009 -2.305 1.00 0.00 O ATOM 277 CB PHE A 26 -2.427 -1.079 -4.443 1.00 0.00 C ATOM 278 CG PHE A 26 -3.611 -0.166 -4.275 1.00 0.00 C ATOM 279 CD1 PHE A 26 -3.760 0.597 -3.126 1.00 0.00 C ATOM 280 CD2 PHE A 26 -4.577 -0.071 -5.266 1.00 0.00 C ATOM 281 CE1 PHE A 26 -4.845 1.436 -2.970 1.00 0.00 C ATOM 282 CE2 PHE A 26 -5.664 0.767 -5.115 1.00 0.00 C ATOM 283 CZ PHE A 26 -5.800 1.521 -3.966 1.00 0.00 C ATOM 0 H PHE A 26 -0.025 -2.101 -4.929 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.200 0.611 -4.969 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.540 -1.639 -5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.422 -1.806 -3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.018 0.534 -2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.478 -0.659 -6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.948 2.025 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.408 0.833 -5.895 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.651 2.176 -3.846 1.00 0.00 H new ATOM 293 N GLN A 27 -0.639 1.190 -2.640 1.00 0.00 N ATOM 294 CA GLN A 27 -0.237 1.585 -1.296 1.00 0.00 C ATOM 295 C GLN A 27 -1.408 2.212 -0.544 1.00 0.00 C ATOM 296 O GLN A 27 -1.799 3.349 -0.821 1.00 0.00 O ATOM 297 CB GLN A 27 0.941 2.563 -1.355 1.00 0.00 C ATOM 298 CG GLN A 27 1.970 2.337 -0.258 1.00 0.00 C ATOM 299 CD GLN A 27 1.752 3.231 0.949 1.00 0.00 C ATOM 300 OE1 GLN A 27 0.630 3.378 1.433 1.00 0.00 O ATOM 301 NE2 GLN A 27 2.828 3.832 1.447 1.00 0.00 N ATOM 0 H GLN A 27 -0.931 1.965 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 27 0.078 0.691 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.430 2.473 -2.325 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.561 3.582 -1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.935 1.294 0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.967 2.515 -0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.740 3.684 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.741 4.442 2.260 1.00 0.00 H new ATOM 310 N LEU A 28 -1.966 1.461 0.405 1.00 0.00 N ATOM 311 CA LEU A 28 -3.094 1.935 1.203 1.00 0.00 C ATOM 312 C LEU A 28 -2.601 2.667 2.451 1.00 0.00 C ATOM 313 O LEU A 28 -1.824 2.119 3.233 1.00 0.00 O ATOM 314 CB LEU A 28 -3.992 0.759 1.606 1.00 0.00 C ATOM 315 CG LEU A 28 -5.189 0.503 0.684 1.00 0.00 C ATOM 316 CD1 LEU A 28 -5.390 -0.991 0.471 1.00 0.00 C ATOM 317 CD2 LEU A 28 -6.450 1.138 1.255 1.00 0.00 C ATOM 0 H LEU A 28 -1.653 0.519 0.640 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.673 2.632 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.384 -0.145 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.363 0.936 2.615 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.982 0.962 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.244 -1.153 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.496 -1.417 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.574 -1.474 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.289 0.946 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.661 0.710 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.303 2.214 1.353 1.00 0.00 H new ATOM 329 N SER A 29 -3.057 3.908 2.628 1.00 0.00 N ATOM 330 CA SER A 29 -2.663 4.717 3.782 1.00 0.00 C ATOM 331 C SER A 29 -3.861 5.479 4.352 1.00 0.00 C ATOM 332 O SER A 29 -4.971 5.375 3.831 1.00 0.00 O ATOM 333 CB SER A 29 -1.553 5.693 3.391 1.00 0.00 C ATOM 334 OG SER A 29 -0.716 5.978 4.499 1.00 0.00 O ATOM 0 H SER A 29 -3.699 4.374 1.987 1.00 0.00 H new ATOM 0 HA SER A 29 -2.288 4.046 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.959 5.269 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.992 6.617 3.015 1.00 0.00 H new ATOM 0 HG SER A 29 0.162 5.566 4.360 1.00 0.00 H new ATOM 340 N ALA A 30 -3.634 6.243 5.424 1.00 0.00 N ATOM 341 CA ALA A 30 -4.704 7.016 6.057 1.00 0.00 C ATOM 342 C ALA A 30 -4.177 8.326 6.637 1.00 0.00 C ATOM 343 O ALA A 30 -2.990 8.443 6.947 1.00 0.00 O ATOM 344 CB ALA A 30 -5.381 6.193 7.148 1.00 0.00 C ATOM 0 H ALA A 30 -2.722 6.342 5.870 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.437 7.259 5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.174 6.782 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.807 5.290 6.711 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.647 5.918 7.905 1.00 0.00 H new ATOM 350 N SER A 31 -5.067 9.306 6.790 1.00 0.00 N ATOM 351 CA SER A 31 -4.690 10.608 7.340 1.00 0.00 C ATOM 352 C SER A 31 -4.714 10.587 8.870 1.00 0.00 C ATOM 353 O SER A 31 -5.381 11.407 9.507 1.00 0.00 O ATOM 354 CB SER A 31 -5.623 11.702 6.808 1.00 0.00 C ATOM 355 OG SER A 31 -5.179 12.187 5.553 1.00 0.00 O ATOM 0 H SER A 31 -6.053 9.223 6.541 1.00 0.00 H new ATOM 0 HA SER A 31 -3.671 10.828 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.634 11.306 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.669 12.524 7.523 1.00 0.00 H new ATOM 0 HG SER A 31 -5.792 12.882 5.235 1.00 0.00 H new ATOM 361 N TRP A 32 -3.974 9.646 9.453 1.00 0.00 N ATOM 362 CA TRP A 32 -3.896 9.516 10.906 1.00 0.00 C ATOM 363 C TRP A 32 -2.440 9.509 11.372 1.00 0.00 C ATOM 364 O TRP A 32 -2.080 10.212 12.316 1.00 0.00 O ATOM 365 CB TRP A 32 -4.609 8.239 11.371 1.00 0.00 C ATOM 366 CG TRP A 32 -6.085 8.413 11.579 1.00 0.00 C ATOM 367 CD1 TRP A 32 -6.714 9.475 12.165 1.00 0.00 C ATOM 368 CD2 TRP A 32 -7.121 7.492 11.207 1.00 0.00 C ATOM 369 NE1 TRP A 32 -8.073 9.273 12.181 1.00 0.00 N ATOM 370 CE2 TRP A 32 -8.347 8.062 11.598 1.00 0.00 C ATOM 371 CE3 TRP A 32 -7.129 6.243 10.580 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -9.567 7.424 11.384 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -8.341 5.610 10.369 1.00 0.00 C ATOM 374 CH2 TRP A 32 -9.543 6.204 10.769 1.00 0.00 C ATOM 0 H TRP A 32 -3.419 8.961 8.940 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.396 10.376 11.351 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.445 7.453 10.634 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.157 7.900 12.303 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.215 10.348 12.559 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -8.765 9.918 12.564 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -6.205 5.780 10.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.497 7.877 11.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.360 4.643 9.888 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.473 5.686 10.587 1.00 0.00 H new ATOM 385 N CYS A 33 -1.604 8.716 10.696 1.00 0.00 N ATOM 386 CA CYS A 33 -0.186 8.621 11.032 1.00 0.00 C ATOM 387 C CYS A 33 0.674 9.297 9.963 1.00 0.00 C ATOM 388 O CYS A 33 0.271 9.391 8.802 1.00 0.00 O ATOM 389 CB CYS A 33 0.225 7.152 11.180 1.00 0.00 C ATOM 390 SG CYS A 33 1.097 6.778 12.719 1.00 0.00 S ATOM 0 H CYS A 33 -1.889 8.130 9.911 1.00 0.00 H new ATOM 0 HA CYS A 33 -0.026 9.135 11.980 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.667 6.529 11.120 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.862 6.878 10.339 1.00 0.00 H new ATOM 0 HG CYS A 33 1.399 5.514 12.750 1.00 0.00 H new ATOM 396 N PRO A 34 1.879 9.777 10.342 1.00 0.00 N ATOM 397 CA PRO A 34 2.802 10.446 9.410 1.00 0.00 C ATOM 398 C PRO A 34 3.190 9.569 8.217 1.00 0.00 C ATOM 399 O PRO A 34 3.685 10.073 7.209 1.00 0.00 O ATOM 400 CB PRO A 34 4.038 10.738 10.267 1.00 0.00 C ATOM 401 CG PRO A 34 3.541 10.728 11.670 1.00 0.00 C ATOM 402 CD PRO A 34 2.437 9.709 11.706 1.00 0.00 C ATOM 0 HA PRO A 34 2.343 11.333 8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.811 9.984 10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.478 11.702 10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.338 10.465 12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.174 11.712 11.962 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.814 8.713 11.939 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.689 9.951 12.461 1.00 0.00 H new ATOM 410 N ASP A 35 2.972 8.256 8.338 1.00 0.00 N ATOM 411 CA ASP A 35 3.304 7.315 7.268 1.00 0.00 C ATOM 412 C ASP A 35 2.680 7.737 5.940 1.00 0.00 C ATOM 413 O ASP A 35 3.336 7.686 4.900 1.00 0.00 O ATOM 414 CB ASP A 35 2.839 5.903 7.634 1.00 0.00 C ATOM 415 CG ASP A 35 3.577 5.345 8.832 1.00 0.00 C ATOM 416 OD1 ASP A 35 4.808 5.147 8.731 1.00 0.00 O ATOM 417 OD2 ASP A 35 2.928 5.112 9.873 1.00 0.00 O ATOM 0 H ASP A 35 2.567 7.822 9.167 1.00 0.00 H new ATOM 0 HA ASP A 35 4.388 7.318 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.770 5.919 7.844 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.986 5.242 6.780 1.00 0.00 H new ATOM 422 N CYS A 36 1.412 8.151 5.975 1.00 0.00 N ATOM 423 CA CYS A 36 0.713 8.577 4.763 1.00 0.00 C ATOM 424 C CYS A 36 1.423 9.759 4.113 1.00 0.00 C ATOM 425 O CYS A 36 1.837 9.682 2.954 1.00 0.00 O ATOM 426 CB CYS A 36 -0.737 8.945 5.082 1.00 0.00 C ATOM 427 SG CYS A 36 -1.696 9.485 3.647 1.00 0.00 S ATOM 0 H CYS A 36 0.851 8.200 6.826 1.00 0.00 H new ATOM 0 HA CYS A 36 0.718 7.744 4.061 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.229 8.082 5.530 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.743 9.739 5.829 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.908 9.772 4.018 1.00 0.00 H new ATOM 433 N VAL A 37 1.569 10.850 4.866 1.00 0.00 N ATOM 434 CA VAL A 37 2.242 12.047 4.361 1.00 0.00 C ATOM 435 C VAL A 37 3.691 11.747 3.971 1.00 0.00 C ATOM 436 O VAL A 37 4.227 12.354 3.042 1.00 0.00 O ATOM 437 CB VAL A 37 2.216 13.205 5.385 1.00 0.00 C ATOM 438 CG1 VAL A 37 0.791 13.697 5.602 1.00 0.00 C ATOM 439 CG2 VAL A 37 2.851 12.784 6.705 1.00 0.00 C ATOM 0 H VAL A 37 1.231 10.929 5.825 1.00 0.00 H new ATOM 0 HA VAL A 37 1.689 12.359 3.475 1.00 0.00 H new ATOM 0 HB VAL A 37 2.804 14.028 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.794 14.512 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.381 14.053 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.177 12.879 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.819 13.618 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.301 11.939 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.888 12.493 6.534 1.00 0.00 H new ATOM 449 N TYR A 38 4.318 10.802 4.675 1.00 0.00 N ATOM 450 CA TYR A 38 5.700 10.415 4.394 1.00 0.00 C ATOM 451 C TYR A 38 5.784 9.570 3.120 1.00 0.00 C ATOM 452 O TYR A 38 6.778 9.625 2.397 1.00 0.00 O ATOM 453 CB TYR A 38 6.288 9.637 5.575 1.00 0.00 C ATOM 454 CG TYR A 38 7.802 9.664 5.641 1.00 0.00 C ATOM 455 CD1 TYR A 38 8.496 10.864 5.750 1.00 0.00 C ATOM 456 CD2 TYR A 38 8.537 8.484 5.602 1.00 0.00 C ATOM 457 CE1 TYR A 38 9.876 10.889 5.816 1.00 0.00 C ATOM 458 CE2 TYR A 38 9.917 8.500 5.670 1.00 0.00 C ATOM 459 CZ TYR A 38 10.582 9.704 5.777 1.00 0.00 C ATOM 460 OH TYR A 38 11.957 9.722 5.851 1.00 0.00 O ATOM 0 H TYR A 38 3.888 10.290 5.446 1.00 0.00 H new ATOM 0 HA TYR A 38 6.280 11.326 4.244 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.887 10.047 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.956 8.601 5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.947 11.793 5.784 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.021 7.539 5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.399 11.830 5.898 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.472 7.574 5.640 1.00 0.00 H new ATOM 0 HH TYR A 38 12.263 8.992 6.429 1.00 0.00 H new ATOM 470 N ALA A 39 4.735 8.790 2.848 1.00 0.00 N ATOM 471 CA ALA A 39 4.697 7.944 1.658 1.00 0.00 C ATOM 472 C ALA A 39 4.497 8.781 0.398 1.00 0.00 C ATOM 473 O ALA A 39 5.136 8.540 -0.625 1.00 0.00 O ATOM 474 CB ALA A 39 3.597 6.898 1.774 1.00 0.00 C ATOM 0 H ALA A 39 3.904 8.728 3.436 1.00 0.00 H new ATOM 0 HA ALA A 39 5.657 7.433 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.587 6.279 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.782 6.270 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.633 7.395 1.883 1.00 0.00 H new ATOM 480 N ASN A 40 3.607 9.769 0.481 1.00 0.00 N ATOM 481 CA ASN A 40 3.326 10.643 -0.653 1.00 0.00 C ATOM 482 C ASN A 40 4.450 11.655 -0.859 1.00 0.00 C ATOM 483 O ASN A 40 4.684 12.105 -1.981 1.00 0.00 O ATOM 484 CB ASN A 40 1.993 11.370 -0.456 1.00 0.00 C ATOM 485 CG ASN A 40 0.839 10.645 -1.125 1.00 0.00 C ATOM 486 OD1 ASN A 40 0.980 10.112 -2.226 1.00 0.00 O ATOM 487 ND2 ASN A 40 -0.314 10.623 -0.463 1.00 0.00 N ATOM 0 H ASN A 40 3.070 9.983 1.321 1.00 0.00 H new ATOM 0 HA ASN A 40 3.259 10.020 -1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.789 11.468 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.069 12.379 -0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.124 10.152 -0.865 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.388 11.077 0.447 1.00 0.00 H new ATOM 494 N SER A 41 5.144 12.007 0.223 1.00 0.00 N ATOM 495 CA SER A 41 6.241 12.966 0.141 1.00 0.00 C ATOM 496 C SER A 41 7.374 12.425 -0.732 1.00 0.00 C ATOM 497 O SER A 41 7.874 13.126 -1.614 1.00 0.00 O ATOM 498 CB SER A 41 6.759 13.313 1.541 1.00 0.00 C ATOM 499 OG SER A 41 7.400 12.202 2.146 1.00 0.00 O ATOM 0 H SER A 41 4.967 11.644 1.160 1.00 0.00 H new ATOM 0 HA SER A 41 5.861 13.877 -0.322 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.458 14.147 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.929 13.641 2.167 1.00 0.00 H new ATOM 0 HG SER A 41 6.933 11.378 1.894 1.00 0.00 H new ATOM 505 N ILE A 42 7.772 11.176 -0.487 1.00 0.00 N ATOM 506 CA ILE A 42 8.842 10.547 -1.258 1.00 0.00 C ATOM 507 C ILE A 42 8.414 10.314 -2.707 1.00 0.00 C ATOM 508 O ILE A 42 9.177 10.585 -3.635 1.00 0.00 O ATOM 509 CB ILE A 42 9.284 9.202 -0.638 1.00 0.00 C ATOM 510 CG1 ILE A 42 9.606 9.372 0.850 1.00 0.00 C ATOM 511 CG2 ILE A 42 10.489 8.646 -1.384 1.00 0.00 C ATOM 512 CD1 ILE A 42 10.784 10.287 1.118 1.00 0.00 C ATOM 0 H ILE A 42 7.370 10.582 0.238 1.00 0.00 H new ATOM 0 HA ILE A 42 9.687 11.236 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 42 8.461 8.494 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.727 9.767 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.812 8.393 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.789 7.699 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.227 8.486 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.315 9.355 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.952 10.359 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.675 9.883 0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.573 11.278 0.717 1.00 0.00 H new ATOM 524 N TRP A 43 7.191 9.815 -2.895 1.00 0.00 N ATOM 525 CA TRP A 43 6.670 9.551 -4.236 1.00 0.00 C ATOM 526 C TRP A 43 6.546 10.847 -5.041 1.00 0.00 C ATOM 527 O TRP A 43 6.839 10.870 -6.239 1.00 0.00 O ATOM 528 CB TRP A 43 5.308 8.853 -4.153 1.00 0.00 C ATOM 529 CG TRP A 43 5.394 7.367 -4.332 1.00 0.00 C ATOM 530 CD1 TRP A 43 4.902 6.637 -5.376 1.00 0.00 C ATOM 531 CD2 TRP A 43 6.010 6.427 -3.442 1.00 0.00 C ATOM 532 NE1 TRP A 43 5.173 5.303 -5.189 1.00 0.00 N ATOM 533 CE2 TRP A 43 5.852 5.149 -4.011 1.00 0.00 C ATOM 534 CE3 TRP A 43 6.681 6.540 -2.220 1.00 0.00 C ATOM 535 CZ2 TRP A 43 6.338 3.995 -3.400 1.00 0.00 C ATOM 536 CZ3 TRP A 43 7.163 5.395 -1.614 1.00 0.00 C ATOM 537 CH2 TRP A 43 6.988 4.137 -2.205 1.00 0.00 C ATOM 0 H TRP A 43 6.546 9.587 -2.139 1.00 0.00 H new ATOM 0 HA TRP A 43 7.374 8.895 -4.747 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.854 9.070 -3.186 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.648 9.267 -4.915 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.376 7.048 -6.225 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.911 4.550 -5.825 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.820 7.506 -1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.206 3.024 -3.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.683 5.471 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.375 3.260 -1.706 1.00 0.00 H new ATOM 548 N ASN A 44 6.119 11.921 -4.375 1.00 0.00 N ATOM 549 CA ASN A 44 5.965 13.225 -5.022 1.00 0.00 C ATOM 550 C ASN A 44 7.324 13.825 -5.391 1.00 0.00 C ATOM 551 O ASN A 44 7.443 14.537 -6.387 1.00 0.00 O ATOM 552 CB ASN A 44 5.201 14.186 -4.103 1.00 0.00 C ATOM 553 CG ASN A 44 4.609 15.370 -4.848 1.00 0.00 C ATOM 554 OD1 ASN A 44 4.446 15.334 -6.068 1.00 0.00 O ATOM 555 ND2 ASN A 44 4.275 16.429 -4.116 1.00 0.00 N ATOM 0 H ASN A 44 5.873 11.913 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 44 5.397 13.078 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.401 13.642 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.874 14.551 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.868 17.250 -4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.426 16.420 -3.107 1.00 0.00 H new ATOM 562 N LYS A 45 8.346 13.527 -4.584 1.00 0.00 N ATOM 563 CA LYS A 45 9.696 14.034 -4.830 1.00 0.00 C ATOM 564 C LYS A 45 10.410 13.193 -5.887 1.00 0.00 C ATOM 565 O LYS A 45 11.242 13.705 -6.635 1.00 0.00 O ATOM 566 CB LYS A 45 10.508 14.037 -3.528 1.00 0.00 C ATOM 567 CG LYS A 45 11.547 15.148 -3.455 1.00 0.00 C ATOM 568 CD LYS A 45 12.958 14.616 -3.672 1.00 0.00 C ATOM 569 CE LYS A 45 13.559 14.073 -2.383 1.00 0.00 C ATOM 570 NZ LYS A 45 15.051 14.093 -2.409 1.00 0.00 N ATOM 0 H LYS A 45 8.263 12.938 -3.756 1.00 0.00 H new ATOM 0 HA LYS A 45 9.612 15.056 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.825 14.135 -2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.010 13.075 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.324 15.905 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.488 15.638 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.938 13.828 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.592 15.413 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.203 14.665 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.213 13.052 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.419 13.715 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.392 13.507 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.383 15.071 -2.535 1.00 0.00 H new ATOM 584 N LEU A 46 10.081 11.901 -5.944 1.00 0.00 N ATOM 585 CA LEU A 46 10.693 10.995 -6.912 1.00 0.00 C ATOM 586 C LEU A 46 10.045 11.117 -8.297 1.00 0.00 C ATOM 587 O LEU A 46 10.533 10.528 -9.263 1.00 0.00 O ATOM 588 CB LEU A 46 10.594 9.549 -6.423 1.00 0.00 C ATOM 589 CG LEU A 46 11.679 9.116 -5.432 1.00 0.00 C ATOM 590 CD1 LEU A 46 11.218 7.904 -4.637 1.00 0.00 C ATOM 591 CD2 LEU A 46 12.982 8.817 -6.160 1.00 0.00 C ATOM 0 H LEU A 46 9.395 11.461 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 46 11.741 11.279 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.620 9.407 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.631 8.887 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 46 11.858 9.936 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.000 7.609 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.312 8.154 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.011 7.079 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.740 8.511 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.821 8.014 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.320 9.711 -6.684 1.00 0.00 H new ATOM 603 N ASN A 47 8.946 11.875 -8.390 1.00 0.00 N ATOM 604 CA ASN A 47 8.243 12.062 -9.656 1.00 0.00 C ATOM 605 C ASN A 47 7.839 10.711 -10.258 1.00 0.00 C ATOM 606 O ASN A 47 8.058 10.451 -11.442 1.00 0.00 O ATOM 607 CB ASN A 47 9.120 12.851 -10.631 1.00 0.00 C ATOM 608 CG ASN A 47 8.409 13.174 -11.933 1.00 0.00 C ATOM 609 OD1 ASN A 47 7.212 13.462 -11.944 1.00 0.00 O ATOM 610 ND2 ASN A 47 9.143 13.130 -13.040 1.00 0.00 N ATOM 0 H ASN A 47 8.527 12.367 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 47 7.332 12.631 -9.469 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.439 13.779 -10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.021 12.278 -10.847 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.717 13.340 -13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.132 12.887 -12.987 1.00 0.00 H new ATOM 617 N VAL A 48 7.245 9.855 -9.428 1.00 0.00 N ATOM 618 CA VAL A 48 6.804 8.533 -9.869 1.00 0.00 C ATOM 619 C VAL A 48 5.397 8.218 -9.347 1.00 0.00 C ATOM 620 O VAL A 48 5.073 7.062 -9.067 1.00 0.00 O ATOM 621 CB VAL A 48 7.780 7.421 -9.416 1.00 0.00 C ATOM 622 CG1 VAL A 48 9.108 7.536 -10.149 1.00 0.00 C ATOM 623 CG2 VAL A 48 7.990 7.465 -7.908 1.00 0.00 C ATOM 0 H VAL A 48 7.058 10.054 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 48 6.787 8.556 -10.959 1.00 0.00 H new ATOM 0 HB VAL A 48 7.335 6.458 -9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.778 6.744 -9.814 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.941 7.441 -11.222 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.558 8.506 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.680 6.674 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.406 8.432 -7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.035 7.320 -7.403 1.00 0.00 H new ATOM 633 N GLN A 49 4.564 9.256 -9.222 1.00 0.00 N ATOM 634 CA GLN A 49 3.193 9.092 -8.735 1.00 0.00 C ATOM 635 C GLN A 49 2.282 8.498 -9.813 1.00 0.00 C ATOM 636 O GLN A 49 1.267 7.876 -9.497 1.00 0.00 O ATOM 637 CB GLN A 49 2.630 10.433 -8.257 1.00 0.00 C ATOM 638 CG GLN A 49 1.556 10.298 -7.187 1.00 0.00 C ATOM 639 CD GLN A 49 0.284 11.053 -7.526 1.00 0.00 C ATOM 640 OE1 GLN A 49 -0.187 11.880 -6.747 1.00 0.00 O ATOM 641 NE2 GLN A 49 -0.285 10.768 -8.695 1.00 0.00 N ATOM 0 H GLN A 49 4.816 10.217 -9.451 1.00 0.00 H new ATOM 0 HA GLN A 49 3.223 8.397 -7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.446 11.041 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.215 10.968 -9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.320 9.243 -7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.948 10.665 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.138 10.075 -9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.144 11.242 -8.973 1.00 0.00 H new ATOM 650 N ASP A 50 2.648 8.693 -11.083 1.00 0.00 N ATOM 651 CA ASP A 50 1.859 8.171 -12.201 1.00 0.00 C ATOM 652 C ASP A 50 2.165 6.693 -12.440 1.00 0.00 C ATOM 653 O ASP A 50 1.259 5.897 -12.688 1.00 0.00 O ATOM 654 CB ASP A 50 2.142 8.973 -13.479 1.00 0.00 C ATOM 655 CG ASP A 50 1.119 10.069 -13.723 1.00 0.00 C ATOM 656 OD1 ASP A 50 0.670 10.698 -12.739 1.00 0.00 O ATOM 657 OD2 ASP A 50 0.770 10.300 -14.899 1.00 0.00 O ATOM 0 H ASP A 50 3.484 9.207 -11.362 1.00 0.00 H new ATOM 0 HA ASP A 50 0.805 8.272 -11.943 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.135 9.417 -13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.153 8.296 -14.333 1.00 0.00 H new ATOM 662 N LYS A 51 3.447 6.335 -12.360 1.00 0.00 N ATOM 663 CA LYS A 51 3.877 4.951 -12.562 1.00 0.00 C ATOM 664 C LYS A 51 3.355 4.029 -11.451 1.00 0.00 C ATOM 665 O LYS A 51 3.290 2.811 -11.629 1.00 0.00 O ATOM 666 CB LYS A 51 5.406 4.881 -12.625 1.00 0.00 C ATOM 667 CG LYS A 51 5.991 5.420 -13.923 1.00 0.00 C ATOM 668 CD LYS A 51 7.502 5.253 -13.964 1.00 0.00 C ATOM 669 CE LYS A 51 8.144 6.183 -14.982 1.00 0.00 C ATOM 670 NZ LYS A 51 9.456 6.706 -14.509 1.00 0.00 N ATOM 0 H LYS A 51 4.206 6.985 -12.157 1.00 0.00 H new ATOM 0 HA LYS A 51 3.458 4.606 -13.507 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.821 5.443 -11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.719 3.845 -12.499 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.543 4.899 -14.769 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.737 6.475 -14.027 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.917 5.453 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.747 4.220 -14.210 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.284 5.650 -15.923 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.473 7.017 -15.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.860 7.335 -15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.320 7.236 -13.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.106 5.912 -14.340 1.00 0.00 H new ATOM 684 N VAL A 52 2.986 4.613 -10.306 1.00 0.00 N ATOM 685 CA VAL A 52 2.474 3.847 -9.172 1.00 0.00 C ATOM 686 C VAL A 52 1.036 4.261 -8.850 1.00 0.00 C ATOM 687 O VAL A 52 0.579 5.318 -9.287 1.00 0.00 O ATOM 688 CB VAL A 52 3.358 4.059 -7.921 1.00 0.00 C ATOM 689 CG1 VAL A 52 2.964 3.101 -6.805 1.00 0.00 C ATOM 690 CG2 VAL A 52 4.835 3.904 -8.268 1.00 0.00 C ATOM 0 H VAL A 52 3.034 5.619 -10.143 1.00 0.00 H new ATOM 0 HA VAL A 52 2.494 2.793 -9.447 1.00 0.00 H new ATOM 0 HB VAL A 52 3.196 5.076 -7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.601 3.271 -5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.923 3.271 -6.530 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.085 2.073 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.437 4.057 -7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.014 2.902 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.111 4.642 -9.022 1.00 0.00 H new ATOM 700 N PHE A 53 0.328 3.435 -8.076 1.00 0.00 N ATOM 701 CA PHE A 53 -1.044 3.741 -7.697 1.00 0.00 C ATOM 702 C PHE A 53 -1.183 3.754 -6.177 1.00 0.00 C ATOM 703 O PHE A 53 -1.080 2.717 -5.518 1.00 0.00 O ATOM 704 CB PHE A 53 -2.013 2.724 -8.309 1.00 0.00 C ATOM 705 CG PHE A 53 -2.646 3.190 -9.593 1.00 0.00 C ATOM 706 CD1 PHE A 53 -1.866 3.510 -10.693 1.00 0.00 C ATOM 707 CD2 PHE A 53 -4.024 3.306 -9.698 1.00 0.00 C ATOM 708 CE1 PHE A 53 -2.447 3.937 -11.873 1.00 0.00 C ATOM 709 CE2 PHE A 53 -4.609 3.733 -10.875 1.00 0.00 C ATOM 710 CZ PHE A 53 -3.821 4.048 -11.963 1.00 0.00 C ATOM 0 H PHE A 53 0.684 2.555 -7.704 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.294 4.730 -8.081 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.479 1.792 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.798 2.503 -7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.791 3.425 -10.628 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.647 3.060 -8.851 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.828 4.183 -12.723 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.683 3.820 -10.943 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.278 4.381 -12.883 1.00 0.00 H new ATOM 720 N VAL A 54 -1.412 4.943 -5.639 1.00 0.00 N ATOM 721 CA VAL A 54 -1.567 5.130 -4.196 1.00 0.00 C ATOM 722 C VAL A 54 -2.936 5.724 -3.863 1.00 0.00 C ATOM 723 O VAL A 54 -3.383 6.676 -4.506 1.00 0.00 O ATOM 724 CB VAL A 54 -0.466 6.051 -3.625 1.00 0.00 C ATOM 725 CG1 VAL A 54 -0.521 6.084 -2.105 1.00 0.00 C ATOM 726 CG2 VAL A 54 0.913 5.611 -4.106 1.00 0.00 C ATOM 0 H VAL A 54 -1.496 5.802 -6.182 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.479 4.145 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.648 7.061 -3.993 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.264 6.739 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.493 6.459 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.373 5.077 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.672 6.274 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.104 4.590 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.950 5.654 -5.195 1.00 0.00 H new ATOM 736 N PHE A 55 -3.596 5.155 -2.855 1.00 0.00 N ATOM 737 CA PHE A 55 -4.913 5.625 -2.432 1.00 0.00 C ATOM 738 C PHE A 55 -4.973 5.791 -0.916 1.00 0.00 C ATOM 739 O PHE A 55 -4.596 4.888 -0.166 1.00 0.00 O ATOM 740 CB PHE A 55 -5.999 4.656 -2.903 1.00 0.00 C ATOM 741 CG PHE A 55 -7.299 5.327 -3.253 1.00 0.00 C ATOM 742 CD1 PHE A 55 -7.362 6.254 -4.281 1.00 0.00 C ATOM 743 CD2 PHE A 55 -8.456 5.028 -2.553 1.00 0.00 C ATOM 744 CE1 PHE A 55 -8.556 6.871 -4.604 1.00 0.00 C ATOM 745 CE2 PHE A 55 -9.653 5.643 -2.871 1.00 0.00 C ATOM 746 CZ PHE A 55 -9.703 6.565 -3.898 1.00 0.00 C ATOM 0 H PHE A 55 -3.239 4.366 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.088 6.599 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.635 4.112 -3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.180 3.919 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.468 6.497 -4.836 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.423 4.307 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.592 7.592 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.548 5.402 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.637 7.046 -4.149 1.00 0.00 H new ATOM 756 N ASP A 56 -5.446 6.955 -0.473 1.00 0.00 N ATOM 757 CA ASP A 56 -5.556 7.249 0.953 1.00 0.00 C ATOM 758 C ASP A 56 -6.989 7.070 1.444 1.00 0.00 C ATOM 759 O ASP A 56 -7.944 7.243 0.683 1.00 0.00 O ATOM 760 CB ASP A 56 -5.075 8.675 1.240 1.00 0.00 C ATOM 761 CG ASP A 56 -3.638 8.906 0.801 1.00 0.00 C ATOM 762 OD1 ASP A 56 -2.794 8.010 1.022 1.00 0.00 O ATOM 763 OD2 ASP A 56 -3.358 9.984 0.236 1.00 0.00 O ATOM 0 H ASP A 56 -5.759 7.710 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.922 6.544 1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.726 9.384 0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.162 8.876 2.308 1.00 0.00 H new ATOM 768 N ILE A 57 -7.130 6.722 2.723 1.00 0.00 N ATOM 769 CA ILE A 57 -8.434 6.513 3.333 1.00 0.00 C ATOM 770 C ILE A 57 -8.616 7.439 4.546 1.00 0.00 C ATOM 771 O ILE A 57 -8.154 8.580 4.531 1.00 0.00 O ATOM 772 CB ILE A 57 -8.624 5.027 3.736 1.00 0.00 C ATOM 773 CG1 ILE A 57 -7.612 4.612 4.814 1.00 0.00 C ATOM 774 CG2 ILE A 57 -8.490 4.131 2.512 1.00 0.00 C ATOM 775 CD1 ILE A 57 -8.199 3.726 5.892 1.00 0.00 C ATOM 0 H ILE A 57 -6.345 6.579 3.359 1.00 0.00 H new ATOM 0 HA ILE A 57 -9.200 6.760 2.598 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.625 4.913 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.782 4.089 4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.200 5.509 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.625 3.090 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.249 4.402 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.500 4.259 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.425 3.474 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.010 4.253 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.585 2.812 5.441 1.00 0.00 H new ATOM 787 N GLY A 58 -9.292 6.953 5.589 1.00 0.00 N ATOM 788 CA GLY A 58 -9.516 7.760 6.776 1.00 0.00 C ATOM 789 C GLY A 58 -10.936 8.304 6.859 1.00 0.00 C ATOM 790 O GLY A 58 -11.208 9.211 7.647 1.00 0.00 O ATOM 0 H GLY A 58 -9.688 6.014 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.309 7.160 7.662 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.812 8.592 6.783 1.00 0.00 H new ATOM 794 N SER A 59 -11.841 7.754 6.043 1.00 0.00 N ATOM 795 CA SER A 59 -13.233 8.197 6.030 1.00 0.00 C ATOM 796 C SER A 59 -14.182 7.046 5.667 1.00 0.00 C ATOM 797 O SER A 59 -15.211 7.259 5.023 1.00 0.00 O ATOM 798 CB SER A 59 -13.402 9.348 5.034 1.00 0.00 C ATOM 799 OG SER A 59 -12.616 10.467 5.404 1.00 0.00 O ATOM 0 H SER A 59 -11.632 7.003 5.385 1.00 0.00 H new ATOM 0 HA SER A 59 -13.489 8.541 7.032 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.116 9.014 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.452 9.638 4.985 1.00 0.00 H new ATOM 0 HG SER A 59 -12.742 11.186 4.750 1.00 0.00 H new ATOM 805 N LEU A 60 -13.832 5.826 6.087 1.00 0.00 N ATOM 806 CA LEU A 60 -14.657 4.653 5.802 1.00 0.00 C ATOM 807 C LEU A 60 -15.563 4.322 6.986 1.00 0.00 C ATOM 808 O LEU A 60 -15.080 3.988 8.069 1.00 0.00 O ATOM 809 CB LEU A 60 -13.787 3.436 5.470 1.00 0.00 C ATOM 810 CG LEU A 60 -12.525 3.723 4.651 1.00 0.00 C ATOM 811 CD1 LEU A 60 -11.318 3.041 5.276 1.00 0.00 C ATOM 812 CD2 LEU A 60 -12.709 3.268 3.211 1.00 0.00 C ATOM 0 H LEU A 60 -12.987 5.628 6.623 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.275 4.893 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.491 2.959 6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.396 2.716 4.924 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.351 4.799 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.430 3.256 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.174 3.414 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.483 1.964 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.803 3.480 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.908 2.196 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.549 3.801 2.765 1.00 0.00 H new ATOM 824 N PRO A 61 -16.894 4.413 6.787 1.00 0.00 N ATOM 825 CA PRO A 61 -17.886 4.120 7.835 1.00 0.00 C ATOM 826 C PRO A 61 -17.821 2.668 8.313 1.00 0.00 C ATOM 827 O PRO A 61 -16.902 1.926 7.960 1.00 0.00 O ATOM 828 CB PRO A 61 -19.232 4.400 7.145 1.00 0.00 C ATOM 829 CG PRO A 61 -18.900 5.248 5.966 1.00 0.00 C ATOM 830 CD PRO A 61 -17.538 4.808 5.522 1.00 0.00 C ATOM 0 HA PRO A 61 -17.718 4.719 8.730 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.717 3.473 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -19.920 4.913 7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.633 5.116 5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -18.903 6.305 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.591 3.977 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.995 5.612 5.026 1.00 0.00 H new ATOM 838 N ARG A 62 -18.806 2.268 9.121 1.00 0.00 N ATOM 839 CA ARG A 62 -18.867 0.903 9.656 1.00 0.00 C ATOM 840 C ARG A 62 -19.355 -0.115 8.612 1.00 0.00 C ATOM 841 O ARG A 62 -19.491 -1.301 8.921 1.00 0.00 O ATOM 842 CB ARG A 62 -19.766 0.856 10.895 1.00 0.00 C ATOM 843 CG ARG A 62 -19.022 1.128 12.196 1.00 0.00 C ATOM 844 CD ARG A 62 -19.090 -0.063 13.142 1.00 0.00 C ATOM 845 NE ARG A 62 -17.907 -0.923 13.034 1.00 0.00 N ATOM 846 CZ ARG A 62 -17.870 -2.197 13.438 1.00 0.00 C ATOM 847 NH1 ARG A 62 -18.943 -2.772 13.973 1.00 0.00 N ATOM 848 NH2 ARG A 62 -16.752 -2.903 13.306 1.00 0.00 N ATOM 0 H ARG A 62 -19.573 2.870 9.420 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.850 0.623 9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -20.565 1.589 10.782 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -20.239 -0.124 10.954 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.980 1.360 11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -19.449 2.005 12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -19.185 0.294 14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.984 -0.648 12.924 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.061 -0.525 12.626 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.807 -2.240 14.079 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.902 -3.745 14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.923 -2.473 12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -16.723 -3.875 13.614 1.00 0.00 H new ATOM 862 N ASN A 63 -19.607 0.341 7.380 1.00 0.00 N ATOM 863 CA ASN A 63 -20.062 -0.544 6.307 1.00 0.00 C ATOM 864 C ASN A 63 -18.942 -0.785 5.297 1.00 0.00 C ATOM 865 O ASN A 63 -18.770 -1.897 4.797 1.00 0.00 O ATOM 866 CB ASN A 63 -21.284 0.052 5.598 1.00 0.00 C ATOM 867 CG ASN A 63 -22.425 -0.943 5.461 1.00 0.00 C ATOM 868 OD1 ASN A 63 -22.426 -1.994 6.103 1.00 0.00 O ATOM 869 ND2 ASN A 63 -23.405 -0.619 4.624 1.00 0.00 N ATOM 0 H ASN A 63 -19.503 1.317 7.103 1.00 0.00 H new ATOM 0 HA ASN A 63 -20.344 -1.498 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -21.632 0.923 6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -20.990 0.401 4.608 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -24.195 -1.251 4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -23.367 0.261 4.110 1.00 0.00 H new ATOM 876 N GLU A 64 -18.184 0.271 5.004 1.00 0.00 N ATOM 877 CA GLU A 64 -17.076 0.189 4.055 1.00 0.00 C ATOM 878 C GLU A 64 -15.877 -0.546 4.661 1.00 0.00 C ATOM 879 O GLU A 64 -15.211 -1.323 3.978 1.00 0.00 O ATOM 880 CB GLU A 64 -16.656 1.593 3.615 1.00 0.00 C ATOM 881 CG GLU A 64 -15.733 1.601 2.403 1.00 0.00 C ATOM 882 CD GLU A 64 -16.459 1.880 1.097 1.00 0.00 C ATOM 883 OE1 GLU A 64 -17.527 2.524 1.126 1.00 0.00 O ATOM 884 OE2 GLU A 64 -15.953 1.454 0.040 1.00 0.00 O ATOM 0 H GLU A 64 -18.318 1.196 5.412 1.00 0.00 H new ATOM 0 HA GLU A 64 -17.418 -0.376 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.549 2.175 3.386 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.156 2.091 4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.959 2.355 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.229 0.637 2.332 1.00 0.00 H new ATOM 891 N GLN A 65 -15.607 -0.287 5.942 1.00 0.00 N ATOM 892 CA GLN A 65 -14.482 -0.918 6.632 1.00 0.00 C ATOM 893 C GLN A 65 -14.621 -2.439 6.666 1.00 0.00 C ATOM 894 O GLN A 65 -13.632 -3.157 6.526 1.00 0.00 O ATOM 895 CB GLN A 65 -14.359 -0.378 8.058 1.00 0.00 C ATOM 896 CG GLN A 65 -13.534 0.894 8.158 1.00 0.00 C ATOM 897 CD GLN A 65 -12.573 0.884 9.334 1.00 0.00 C ATOM 898 OE1 GLN A 65 -12.606 -0.018 10.174 1.00 0.00 O ATOM 899 NE2 GLN A 65 -11.710 1.892 9.403 1.00 0.00 N ATOM 0 H GLN A 65 -16.151 0.353 6.520 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.579 -0.673 6.073 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.357 -0.186 8.452 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.909 -1.144 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.970 1.029 7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.204 1.749 8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.716 2.618 8.687 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.042 1.939 10.172 1.00 0.00 H new ATOM 908 N GLU A 66 -15.847 -2.928 6.855 1.00 0.00 N ATOM 909 CA GLU A 66 -16.096 -4.368 6.906 1.00 0.00 C ATOM 910 C GLU A 66 -15.732 -5.041 5.580 1.00 0.00 C ATOM 911 O GLU A 66 -15.245 -6.172 5.565 1.00 0.00 O ATOM 912 CB GLU A 66 -17.562 -4.648 7.253 1.00 0.00 C ATOM 913 CG GLU A 66 -17.859 -4.579 8.741 1.00 0.00 C ATOM 914 CD GLU A 66 -19.229 -5.125 9.093 1.00 0.00 C ATOM 915 OE1 GLU A 66 -19.387 -6.363 9.111 1.00 0.00 O ATOM 916 OE2 GLU A 66 -20.141 -4.313 9.355 1.00 0.00 O ATOM 0 H GLU A 66 -16.679 -2.351 6.975 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.461 -4.787 7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -18.194 -3.929 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.832 -5.637 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.099 -5.140 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.790 -3.543 9.073 1.00 0.00 H new ATOM 923 N LYS A 67 -15.967 -4.339 4.469 1.00 0.00 N ATOM 924 CA LYS A 67 -15.661 -4.875 3.143 1.00 0.00 C ATOM 925 C LYS A 67 -14.157 -5.091 2.964 1.00 0.00 C ATOM 926 O LYS A 67 -13.720 -6.183 2.599 1.00 0.00 O ATOM 927 CB LYS A 67 -16.184 -3.933 2.055 1.00 0.00 C ATOM 928 CG LYS A 67 -17.701 -3.858 1.982 1.00 0.00 C ATOM 929 CD LYS A 67 -18.160 -2.620 1.230 1.00 0.00 C ATOM 930 CE LYS A 67 -19.463 -2.074 1.793 1.00 0.00 C ATOM 931 NZ LYS A 67 -20.576 -2.139 0.801 1.00 0.00 N ATOM 0 H LYS A 67 -16.367 -3.401 4.462 1.00 0.00 H new ATOM 0 HA LYS A 67 -16.158 -5.841 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.789 -2.933 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.799 -4.260 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.087 -4.750 1.488 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.115 -3.847 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.388 -1.852 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.292 -2.862 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.738 -2.640 2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.317 -1.040 2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.444 -1.757 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.326 -1.578 -0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.734 -3.128 0.521 1.00 0.00 H new ATOM 945 N TRP A 68 -13.369 -4.045 3.219 1.00 0.00 N ATOM 946 CA TRP A 68 -11.915 -4.129 3.076 1.00 0.00 C ATOM 947 C TRP A 68 -11.301 -5.022 4.153 1.00 0.00 C ATOM 948 O TRP A 68 -10.342 -5.744 3.892 1.00 0.00 O ATOM 949 CB TRP A 68 -11.284 -2.736 3.134 1.00 0.00 C ATOM 950 CG TRP A 68 -11.117 -2.105 1.785 1.00 0.00 C ATOM 951 CD1 TRP A 68 -9.940 -1.831 1.149 1.00 0.00 C ATOM 952 CD2 TRP A 68 -12.161 -1.670 0.906 1.00 0.00 C ATOM 953 NE1 TRP A 68 -10.188 -1.253 -0.073 1.00 0.00 N ATOM 954 CE2 TRP A 68 -11.545 -1.145 -0.244 1.00 0.00 C ATOM 955 CE3 TRP A 68 -13.557 -1.676 0.978 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -12.275 -0.631 -1.312 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -14.280 -1.165 -0.082 1.00 0.00 C ATOM 958 CH2 TRP A 68 -13.639 -0.649 -1.214 1.00 0.00 C ATOM 0 H TRP A 68 -13.711 -3.134 3.524 1.00 0.00 H new ATOM 0 HA TRP A 68 -11.707 -4.573 2.102 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -11.903 -2.090 3.756 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -10.310 -2.806 3.618 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -8.958 -2.038 1.548 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -9.479 -0.953 -0.743 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -14.061 -2.073 1.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -11.782 -0.232 -2.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -15.359 -1.164 -0.037 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -14.233 -0.257 -2.026 1.00 0.00 H new ATOM 969 N ARG A 69 -11.859 -4.964 5.361 1.00 0.00 N ATOM 970 CA ARG A 69 -11.364 -5.766 6.477 1.00 0.00 C ATOM 971 C ARG A 69 -11.320 -7.253 6.119 1.00 0.00 C ATOM 972 O ARG A 69 -10.325 -7.927 6.382 1.00 0.00 O ATOM 973 CB ARG A 69 -12.238 -5.543 7.717 1.00 0.00 C ATOM 974 CG ARG A 69 -11.852 -6.404 8.913 1.00 0.00 C ATOM 975 CD ARG A 69 -11.965 -5.632 10.220 1.00 0.00 C ATOM 976 NE ARG A 69 -13.175 -5.988 10.964 1.00 0.00 N ATOM 977 CZ ARG A 69 -14.367 -5.418 10.771 1.00 0.00 C ATOM 978 NH1 ARG A 69 -14.521 -4.455 9.865 1.00 0.00 N ATOM 979 NH2 ARG A 69 -15.415 -5.814 11.488 1.00 0.00 N ATOM 0 H ARG A 69 -12.655 -4.369 5.591 1.00 0.00 H new ATOM 0 HA ARG A 69 -10.346 -5.445 6.696 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.180 -4.493 8.005 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.277 -5.746 7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.496 -7.283 8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.830 -6.763 8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.088 -5.832 10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.970 -4.562 10.010 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.103 -6.717 11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.724 -4.145 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.436 -4.027 9.726 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.307 -6.552 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.326 -5.380 11.342 1.00 0.00 H new ATOM 993 N ILE A 70 -12.399 -7.758 5.517 1.00 0.00 N ATOM 994 CA ILE A 70 -12.469 -9.167 5.130 1.00 0.00 C ATOM 995 C ILE A 70 -11.546 -9.469 3.949 1.00 0.00 C ATOM 996 O ILE A 70 -10.748 -10.405 4.001 1.00 0.00 O ATOM 997 CB ILE A 70 -13.908 -9.599 4.764 1.00 0.00 C ATOM 998 CG1 ILE A 70 -14.889 -9.214 5.876 1.00 0.00 C ATOM 999 CG2 ILE A 70 -13.961 -11.099 4.501 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -16.301 -8.978 5.385 1.00 0.00 C ATOM 0 H ILE A 70 -13.232 -7.215 5.288 1.00 0.00 H new ATOM 0 HA ILE A 70 -12.143 -9.736 6.001 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.202 -9.076 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -14.902 -10.004 6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -14.529 -8.311 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -14.980 -11.388 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.295 -11.347 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -13.646 -11.637 5.395 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.939 -8.710 6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -16.302 -8.168 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -16.680 -9.887 4.918 1.00 0.00 H new ATOM 1012 N ALA A 71 -11.671 -8.678 2.881 1.00 0.00 N ATOM 1013 CA ALA A 71 -10.855 -8.871 1.679 1.00 0.00 C ATOM 1014 C ALA A 71 -9.359 -8.852 1.997 1.00 0.00 C ATOM 1015 O ALA A 71 -8.641 -9.794 1.662 1.00 0.00 O ATOM 1016 CB ALA A 71 -11.191 -7.813 0.636 1.00 0.00 C ATOM 0 H ALA A 71 -12.328 -7.900 2.823 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.091 -9.856 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.577 -7.969 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.244 -7.889 0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.992 -6.823 1.045 1.00 0.00 H new ATOM 1022 N PHE A 72 -8.895 -7.780 2.640 1.00 0.00 N ATOM 1023 CA PHE A 72 -7.482 -7.646 2.995 1.00 0.00 C ATOM 1024 C PHE A 72 -7.039 -8.762 3.943 1.00 0.00 C ATOM 1025 O PHE A 72 -5.960 -9.328 3.777 1.00 0.00 O ATOM 1026 CB PHE A 72 -7.214 -6.280 3.636 1.00 0.00 C ATOM 1027 CG PHE A 72 -6.124 -5.491 2.958 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -6.208 -5.175 1.609 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -5.013 -5.064 3.673 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -5.207 -4.451 0.990 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -4.011 -4.338 3.057 1.00 0.00 C ATOM 1032 CZ PHE A 72 -4.108 -4.032 1.714 1.00 0.00 C ATOM 0 H PHE A 72 -9.477 -6.992 2.925 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.902 -7.727 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.134 -5.696 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.946 -6.427 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.065 -5.499 1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.931 -5.302 4.723 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.284 -4.213 -0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.153 -4.010 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 72 -3.326 -3.466 1.230 1.00 0.00 H new ATOM 1042 N GLN A 73 -7.875 -9.077 4.933 1.00 0.00 N ATOM 1043 CA GLN A 73 -7.559 -10.129 5.901 1.00 0.00 C ATOM 1044 C GLN A 73 -7.491 -11.506 5.229 1.00 0.00 C ATOM 1045 O GLN A 73 -6.781 -12.396 5.697 1.00 0.00 O ATOM 1046 CB GLN A 73 -8.597 -10.148 7.025 1.00 0.00 C ATOM 1047 CG GLN A 73 -8.211 -11.027 8.205 1.00 0.00 C ATOM 1048 CD GLN A 73 -8.912 -10.622 9.490 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -9.999 -10.044 9.465 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -8.289 -10.924 10.625 1.00 0.00 N ATOM 0 H GLN A 73 -8.774 -8.620 5.086 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.578 -9.908 6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.753 -9.129 7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.548 -10.495 6.622 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.453 -12.064 7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.132 -10.977 8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.389 -11.404 10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.711 -10.676 11.520 1.00 0.00 H new ATOM 1059 N LYS A 74 -8.231 -11.676 4.136 1.00 0.00 N ATOM 1060 CA LYS A 74 -8.250 -12.942 3.410 1.00 0.00 C ATOM 1061 C LYS A 74 -7.040 -13.072 2.483 1.00 0.00 C ATOM 1062 O LYS A 74 -6.576 -14.181 2.215 1.00 0.00 O ATOM 1063 CB LYS A 74 -9.539 -13.059 2.594 1.00 0.00 C ATOM 1064 CG LYS A 74 -10.253 -14.392 2.757 1.00 0.00 C ATOM 1065 CD LYS A 74 -9.655 -15.467 1.861 1.00 0.00 C ATOM 1066 CE LYS A 74 -9.423 -16.766 2.623 1.00 0.00 C ATOM 1067 NZ LYS A 74 -9.923 -17.957 1.875 1.00 0.00 N ATOM 0 H LYS A 74 -8.826 -10.952 3.734 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.206 -13.748 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.217 -12.257 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.305 -12.910 1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.193 -14.711 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.310 -14.269 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.322 -15.652 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.711 -15.113 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.357 -16.884 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.922 -16.711 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.744 -18.817 2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.945 -17.859 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.429 -18.026 0.962 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.544 -11.940 1.984 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.400 -11.944 1.073 1.00 0.00 C ATOM 1083 C VAL A 75 -4.074 -11.895 1.831 1.00 0.00 C ATOM 1084 O VAL A 75 -3.163 -12.673 1.544 1.00 0.00 O ATOM 1085 CB VAL A 75 -5.456 -10.763 0.079 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -4.331 -10.867 -0.941 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -6.810 -10.712 -0.615 1.00 0.00 C ATOM 0 H VAL A 75 -6.914 -11.013 2.194 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.458 -12.880 0.517 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.324 -9.837 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.388 -10.026 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.370 -10.850 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.428 -11.800 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.831 -9.874 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.974 -11.641 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.596 -10.585 0.129 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.964 -10.976 2.789 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.738 -10.837 3.570 1.00 0.00 C ATOM 1099 C VAL A 76 -2.942 -11.208 5.043 1.00 0.00 C ATOM 1100 O VAL A 76 -2.019 -11.699 5.693 1.00 0.00 O ATOM 1101 CB VAL A 76 -2.159 -9.404 3.470 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -3.145 -8.368 3.996 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -0.828 -9.311 4.209 1.00 0.00 C ATOM 0 H VAL A 76 -4.704 -10.321 3.041 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.024 -11.538 3.139 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.984 -9.187 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.707 -7.373 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.064 -8.411 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.370 -8.578 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.437 -8.297 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.977 -9.559 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.118 -10.010 3.768 1.00 0.00 H new ATOM 1113 N GLY A 77 -4.144 -10.965 5.568 1.00 0.00 N ATOM 1114 CA GLY A 77 -4.423 -11.276 6.962 1.00 0.00 C ATOM 1115 C GLY A 77 -3.830 -10.253 7.913 1.00 0.00 C ATOM 1116 O GLY A 77 -3.382 -10.601 9.008 1.00 0.00 O ATOM 0 H GLY A 77 -4.926 -10.560 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.502 -11.325 7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.023 -12.262 7.198 1.00 0.00 H new ATOM 1120 N SER A 78 -3.826 -8.986 7.493 1.00 0.00 N ATOM 1121 CA SER A 78 -3.283 -7.903 8.306 1.00 0.00 C ATOM 1122 C SER A 78 -4.095 -6.623 8.111 1.00 0.00 C ATOM 1123 O SER A 78 -3.830 -5.840 7.196 1.00 0.00 O ATOM 1124 CB SER A 78 -1.813 -7.659 7.946 1.00 0.00 C ATOM 1125 OG SER A 78 -1.057 -7.309 9.092 1.00 0.00 O ATOM 0 H SER A 78 -4.195 -8.687 6.590 1.00 0.00 H new ATOM 0 HA SER A 78 -3.346 -8.193 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.394 -8.556 7.490 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.745 -6.863 7.205 1.00 0.00 H new ATOM 0 HG SER A 78 -0.123 -7.161 8.835 1.00 0.00 H new ATOM 1131 N ARG A 79 -5.085 -6.418 8.979 1.00 0.00 N ATOM 1132 CA ARG A 79 -5.939 -5.232 8.908 1.00 0.00 C ATOM 1133 C ARG A 79 -5.402 -4.119 9.809 1.00 0.00 C ATOM 1134 O ARG A 79 -6.167 -3.418 10.476 1.00 0.00 O ATOM 1135 CB ARG A 79 -7.377 -5.590 9.302 1.00 0.00 C ATOM 1136 CG ARG A 79 -8.421 -5.040 8.343 1.00 0.00 C ATOM 1137 CD ARG A 79 -8.923 -3.673 8.786 1.00 0.00 C ATOM 1138 NE ARG A 79 -9.441 -2.887 7.666 1.00 0.00 N ATOM 1139 CZ ARG A 79 -9.616 -1.563 7.702 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -9.332 -0.869 8.801 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -10.083 -0.929 6.631 1.00 0.00 N ATOM 0 H ARG A 79 -5.316 -7.057 9.740 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.936 -4.869 7.880 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.473 -6.675 9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.577 -5.208 10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.994 -4.965 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.260 -5.734 8.280 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.707 -3.800 9.533 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.111 -3.127 9.266 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.683 -3.379 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.976 -1.347 9.629 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.470 0.142 8.816 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.307 -1.453 5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.218 0.082 6.655 1.00 0.00 H new ATOM 1155 N ASN A 80 -4.078 -3.962 9.820 1.00 0.00 N ATOM 1156 CA ASN A 80 -3.428 -2.937 10.631 1.00 0.00 C ATOM 1157 C ASN A 80 -2.767 -1.885 9.741 1.00 0.00 C ATOM 1158 O ASN A 80 -1.600 -2.020 9.364 1.00 0.00 O ATOM 1159 CB ASN A 80 -2.390 -3.580 11.559 1.00 0.00 C ATOM 1160 CG ASN A 80 -1.815 -2.599 12.566 1.00 0.00 C ATOM 1161 OD1 ASN A 80 -0.604 -2.393 12.624 1.00 0.00 O ATOM 1162 ND2 ASN A 80 -2.683 -1.989 13.370 1.00 0.00 N ATOM 0 H ASN A 80 -3.434 -4.535 9.274 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.186 -2.443 11.239 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.851 -4.412 12.091 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.580 -3.995 10.959 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.351 -1.322 14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.680 -2.188 13.289 1.00 0.00 H new ATOM 1169 N LEU A 81 -3.525 -0.841 9.401 1.00 0.00 N ATOM 1170 CA LEU A 81 -3.020 0.239 8.548 1.00 0.00 C ATOM 1171 C LEU A 81 -1.896 1.011 9.245 1.00 0.00 C ATOM 1172 O LEU A 81 -1.855 1.081 10.475 1.00 0.00 O ATOM 1173 CB LEU A 81 -4.158 1.198 8.170 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.939 1.800 9.345 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -4.246 3.048 9.871 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -6.368 2.117 8.924 1.00 0.00 C ATOM 0 H LEU A 81 -4.492 -0.719 9.703 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.617 -0.211 7.641 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.740 2.013 7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.859 0.665 7.527 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.970 1.065 10.150 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.817 3.458 10.704 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.243 2.791 10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.181 3.790 9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.910 2.543 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.355 2.833 8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.863 1.202 8.600 1.00 0.00 H new ATOM 1188 N PRO A 82 -0.962 1.605 8.468 1.00 0.00 N ATOM 1189 CA PRO A 82 -0.972 1.548 6.998 1.00 0.00 C ATOM 1190 C PRO A 82 -0.475 0.208 6.448 1.00 0.00 C ATOM 1191 O PRO A 82 0.039 -0.627 7.195 1.00 0.00 O ATOM 1192 CB PRO A 82 -0.016 2.674 6.607 1.00 0.00 C ATOM 1193 CG PRO A 82 0.950 2.757 7.739 1.00 0.00 C ATOM 1194 CD PRO A 82 0.184 2.387 8.979 1.00 0.00 C ATOM 0 HA PRO A 82 -1.979 1.653 6.594 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.492 2.455 5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.548 3.616 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.789 2.079 7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.364 3.762 7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 82 0.794 1.800 9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.147 3.272 9.523 1.00 0.00 H new ATOM 1202 N THR A 83 -0.638 0.007 5.137 1.00 0.00 N ATOM 1203 CA THR A 83 -0.213 -1.234 4.490 1.00 0.00 C ATOM 1204 C THR A 83 0.227 -0.992 3.043 1.00 0.00 C ATOM 1205 O THR A 83 -0.463 -0.308 2.284 1.00 0.00 O ATOM 1206 CB THR A 83 -1.350 -2.263 4.517 1.00 0.00 C ATOM 1207 OG1 THR A 83 -2.614 -1.628 4.403 1.00 0.00 O ATOM 1208 CG2 THR A 83 -1.371 -3.102 5.777 1.00 0.00 C ATOM 0 H THR A 83 -1.061 0.687 4.505 1.00 0.00 H new ATOM 0 HA THR A 83 0.642 -1.619 5.046 1.00 0.00 H new ATOM 0 HB THR A 83 -1.161 -2.917 3.666 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.262 -2.255 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.200 -3.808 5.730 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.432 -3.649 5.866 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.496 -2.453 6.644 1.00 0.00 H new ATOM 1216 N ILE A 84 1.375 -1.562 2.668 1.00 0.00 N ATOM 1217 CA ILE A 84 1.904 -1.412 1.313 1.00 0.00 C ATOM 1218 C ILE A 84 1.874 -2.747 0.560 1.00 0.00 C ATOM 1219 O ILE A 84 2.614 -3.675 0.892 1.00 0.00 O ATOM 1220 CB ILE A 84 3.352 -0.871 1.327 1.00 0.00 C ATOM 1221 CG1 ILE A 84 3.446 0.392 2.194 1.00 0.00 C ATOM 1222 CG2 ILE A 84 3.831 -0.581 -0.092 1.00 0.00 C ATOM 1223 CD1 ILE A 84 4.712 0.465 3.020 1.00 0.00 C ATOM 0 H ILE A 84 1.955 -2.131 3.285 1.00 0.00 H new ATOM 0 HA ILE A 84 1.264 -0.694 0.801 1.00 0.00 H new ATOM 0 HB ILE A 84 3.999 -1.635 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.391 1.270 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.584 0.431 2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.852 -0.201 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.803 -1.498 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.181 0.164 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.711 1.383 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.760 -0.394 3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.579 0.458 2.359 1.00 0.00 H new ATOM 1235 N VAL A 85 1.013 -2.829 -0.455 1.00 0.00 N ATOM 1236 CA VAL A 85 0.879 -4.040 -1.263 1.00 0.00 C ATOM 1237 C VAL A 85 1.606 -3.893 -2.599 1.00 0.00 C ATOM 1238 O VAL A 85 1.253 -3.041 -3.416 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.606 -4.380 -1.531 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.740 -5.760 -2.158 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -1.421 -4.289 -0.248 1.00 0.00 C ATOM 0 H VAL A 85 0.396 -2.067 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 85 1.331 -4.852 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.999 -3.648 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.793 -5.977 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.198 -5.784 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.325 -6.508 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.462 -4.532 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.026 -4.993 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.359 -3.277 0.151 1.00 0.00 H new ATOM 1251 N VAL A 86 2.625 -4.725 -2.813 1.00 0.00 N ATOM 1252 CA VAL A 86 3.404 -4.689 -4.049 1.00 0.00 C ATOM 1253 C VAL A 86 3.432 -6.060 -4.719 1.00 0.00 C ATOM 1254 O VAL A 86 3.690 -7.074 -4.068 1.00 0.00 O ATOM 1255 CB VAL A 86 4.853 -4.222 -3.791 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.588 -3.983 -5.103 1.00 0.00 C ATOM 1257 CG2 VAL A 86 4.864 -2.966 -2.927 1.00 0.00 C ATOM 0 H VAL A 86 2.930 -5.433 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 86 2.915 -3.974 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 86 5.376 -5.013 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.606 -3.655 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.615 -4.908 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.069 -3.215 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.893 -2.651 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.321 -2.170 -3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.385 -3.178 -1.971 1.00 0.00 H new ATOM 1267 N ASN A 87 3.156 -6.082 -6.024 1.00 0.00 N ATOM 1268 CA ASN A 87 3.141 -7.325 -6.795 1.00 0.00 C ATOM 1269 C ASN A 87 2.048 -8.273 -6.291 1.00 0.00 C ATOM 1270 O ASN A 87 2.208 -9.494 -6.329 1.00 0.00 O ATOM 1271 CB ASN A 87 4.510 -8.014 -6.734 1.00 0.00 C ATOM 1272 CG ASN A 87 4.888 -8.669 -8.048 1.00 0.00 C ATOM 1273 OD1 ASN A 87 4.896 -8.023 -9.096 1.00 0.00 O ATOM 1274 ND2 ASN A 87 5.203 -9.959 -8.003 1.00 0.00 N ATOM 0 H ASN A 87 2.939 -5.249 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 87 2.922 -7.072 -7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.271 -7.281 -6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.500 -8.767 -5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.464 -10.450 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.184 -10.458 -7.114 1.00 0.00 H new ATOM 1281 N GLY A 88 0.936 -7.699 -5.822 1.00 0.00 N ATOM 1282 CA GLY A 88 -0.168 -8.501 -5.320 1.00 0.00 C ATOM 1283 C GLY A 88 0.195 -9.289 -4.077 1.00 0.00 C ATOM 1284 O GLY A 88 -0.127 -10.474 -3.969 1.00 0.00 O ATOM 0 H GLY A 88 0.783 -6.691 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.013 -7.849 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.494 -9.190 -6.099 1.00 0.00 H new ATOM 1288 N LYS A 89 0.863 -8.630 -3.134 1.00 0.00 N ATOM 1289 CA LYS A 89 1.274 -9.262 -1.889 1.00 0.00 C ATOM 1290 C LYS A 89 1.919 -8.240 -0.957 1.00 0.00 C ATOM 1291 O LYS A 89 2.713 -7.403 -1.389 1.00 0.00 O ATOM 1292 CB LYS A 89 2.246 -10.416 -2.156 1.00 0.00 C ATOM 1293 CG LYS A 89 3.361 -10.069 -3.132 1.00 0.00 C ATOM 1294 CD LYS A 89 4.468 -11.107 -3.107 1.00 0.00 C ATOM 1295 CE LYS A 89 5.221 -11.143 -4.428 1.00 0.00 C ATOM 1296 NZ LYS A 89 5.831 -12.477 -4.692 1.00 0.00 N ATOM 0 H LYS A 89 1.132 -7.649 -3.213 1.00 0.00 H new ATOM 0 HA LYS A 89 0.383 -9.665 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.689 -10.731 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.687 -11.267 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.953 -9.995 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.773 -9.091 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.162 -10.883 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.044 -12.090 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.539 -10.890 -5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.003 -10.383 -4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.334 -12.455 -5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.502 -12.709 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.084 -13.200 -4.727 1.00 0.00 H new ATOM 1310 N PHE A 90 1.566 -8.317 0.323 1.00 0.00 N ATOM 1311 CA PHE A 90 2.103 -7.404 1.333 1.00 0.00 C ATOM 1312 C PHE A 90 3.623 -7.502 1.404 1.00 0.00 C ATOM 1313 O PHE A 90 4.171 -8.444 1.981 1.00 0.00 O ATOM 1314 CB PHE A 90 1.493 -7.710 2.705 1.00 0.00 C ATOM 1315 CG PHE A 90 1.765 -6.653 3.740 1.00 0.00 C ATOM 1316 CD1 PHE A 90 1.147 -5.415 3.665 1.00 0.00 C ATOM 1317 CD2 PHE A 90 2.633 -6.901 4.790 1.00 0.00 C ATOM 1318 CE1 PHE A 90 1.393 -4.446 4.617 1.00 0.00 C ATOM 1319 CE2 PHE A 90 2.882 -5.936 5.745 1.00 0.00 C ATOM 1320 CZ PHE A 90 2.260 -4.705 5.659 1.00 0.00 C ATOM 0 H PHE A 90 0.908 -9.005 0.689 1.00 0.00 H new ATOM 0 HA PHE A 90 1.837 -6.387 1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.415 -7.828 2.595 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.883 -8.663 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.466 -5.206 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.121 -7.862 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.907 -3.484 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.562 -6.143 6.558 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.452 -3.948 6.405 1.00 0.00 H new ATOM 1330 N TRP A 91 4.299 -6.525 0.806 1.00 0.00 N ATOM 1331 CA TRP A 91 5.758 -6.495 0.791 1.00 0.00 C ATOM 1332 C TRP A 91 6.311 -5.310 1.586 1.00 0.00 C ATOM 1333 O TRP A 91 7.444 -5.361 2.068 1.00 0.00 O ATOM 1334 CB TRP A 91 6.271 -6.443 -0.651 1.00 0.00 C ATOM 1335 CG TRP A 91 7.252 -7.529 -0.971 1.00 0.00 C ATOM 1336 CD1 TRP A 91 6.968 -8.779 -1.443 1.00 0.00 C ATOM 1337 CD2 TRP A 91 8.679 -7.465 -0.843 1.00 0.00 C ATOM 1338 NE1 TRP A 91 8.128 -9.493 -1.619 1.00 0.00 N ATOM 1339 CE2 TRP A 91 9.190 -8.708 -1.256 1.00 0.00 C ATOM 1340 CE3 TRP A 91 9.570 -6.477 -0.418 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 10.555 -8.990 -1.258 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 10.924 -6.755 -0.420 1.00 0.00 C ATOM 1343 CH2 TRP A 91 11.405 -8.003 -0.839 1.00 0.00 C ATOM 0 H TRP A 91 3.858 -5.742 0.324 1.00 0.00 H new ATOM 0 HA TRP A 91 6.110 -7.409 1.269 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.424 -6.516 -1.333 1.00 0.00 H new ATOM 0 HB3 TRP A 91 6.741 -5.475 -0.827 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.975 -9.152 -1.648 1.00 0.00 H new ATOM 0 HE1 TRP A 91 8.189 -10.451 -1.964 1.00 0.00 H new ATOM 0 HE3 TRP A 91 9.207 -5.513 -0.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.928 -9.952 -1.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 11.622 -5.999 -0.094 1.00 0.00 H new ATOM 0 HH2 TRP A 91 12.469 -8.190 -0.831 1.00 0.00 H new ATOM 1354 N GLY A 92 5.517 -4.241 1.719 1.00 0.00 N ATOM 1355 CA GLY A 92 5.974 -3.073 2.453 1.00 0.00 C ATOM 1356 C GLY A 92 5.238 -2.863 3.760 1.00 0.00 C ATOM 1357 O GLY A 92 4.019 -3.030 3.831 1.00 0.00 O ATOM 0 H GLY A 92 4.575 -4.167 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.040 -3.174 2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.851 -2.188 1.828 1.00 0.00 H new ATOM 1361 N THR A 93 5.986 -2.487 4.796 1.00 0.00 N ATOM 1362 CA THR A 93 5.413 -2.246 6.117 1.00 0.00 C ATOM 1363 C THR A 93 5.680 -0.815 6.578 1.00 0.00 C ATOM 1364 O THR A 93 6.280 -0.017 5.855 1.00 0.00 O ATOM 1365 CB THR A 93 5.988 -3.234 7.140 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.578 -4.348 6.496 1.00 0.00 O ATOM 1367 CG2 THR A 93 4.956 -3.762 8.111 1.00 0.00 C ATOM 0 H THR A 93 6.994 -2.342 4.744 1.00 0.00 H new ATOM 0 HA THR A 93 4.335 -2.392 6.044 1.00 0.00 H new ATOM 0 HB THR A 93 6.731 -2.663 7.697 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.939 -4.962 7.169 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.431 -4.455 8.806 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.521 -2.931 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.171 -4.281 7.561 1.00 0.00 H new ATOM 1375 N GLU A 94 5.238 -0.504 7.795 1.00 0.00 N ATOM 1376 CA GLU A 94 5.431 0.824 8.370 1.00 0.00 C ATOM 1377 C GLU A 94 6.900 1.060 8.720 1.00 0.00 C ATOM 1378 O GLU A 94 7.446 2.131 8.457 1.00 0.00 O ATOM 1379 CB GLU A 94 4.566 0.985 9.625 1.00 0.00 C ATOM 1380 CG GLU A 94 4.614 2.381 10.223 1.00 0.00 C ATOM 1381 CD GLU A 94 5.358 2.427 11.543 1.00 0.00 C ATOM 1382 OE1 GLU A 94 4.721 2.193 12.591 1.00 0.00 O ATOM 1383 OE2 GLU A 94 6.576 2.696 11.528 1.00 0.00 O ATOM 0 H GLU A 94 4.742 -1.156 8.403 1.00 0.00 H new ATOM 0 HA GLU A 94 5.130 1.563 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.533 0.740 9.378 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.893 0.266 10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.094 3.058 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.597 2.743 10.371 1.00 0.00 H new ATOM 1390 N SER A 95 7.530 0.050 9.322 1.00 0.00 N ATOM 1391 CA SER A 95 8.933 0.140 9.724 1.00 0.00 C ATOM 1392 C SER A 95 9.873 0.145 8.517 1.00 0.00 C ATOM 1393 O SER A 95 10.929 0.774 8.558 1.00 0.00 O ATOM 1394 CB SER A 95 9.299 -1.017 10.656 1.00 0.00 C ATOM 1395 OG SER A 95 9.009 -0.700 12.007 1.00 0.00 O ATOM 0 H SER A 95 7.088 -0.843 9.542 1.00 0.00 H new ATOM 0 HA SER A 95 9.056 1.086 10.252 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.748 -1.911 10.363 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.359 -1.248 10.554 1.00 0.00 H new ATOM 0 HG SER A 95 9.251 -1.457 12.580 1.00 0.00 H new ATOM 1401 N GLN A 96 9.494 -0.561 7.449 1.00 0.00 N ATOM 1402 CA GLN A 96 10.327 -0.630 6.245 1.00 0.00 C ATOM 1403 C GLN A 96 10.714 0.768 5.751 1.00 0.00 C ATOM 1404 O GLN A 96 11.826 0.971 5.260 1.00 0.00 O ATOM 1405 CB GLN A 96 9.605 -1.395 5.131 1.00 0.00 C ATOM 1406 CG GLN A 96 10.432 -1.541 3.861 1.00 0.00 C ATOM 1407 CD GLN A 96 10.273 -2.901 3.208 1.00 0.00 C ATOM 1408 OE1 GLN A 96 9.288 -3.157 2.518 1.00 0.00 O ATOM 1409 NE2 GLN A 96 11.245 -3.783 3.421 1.00 0.00 N ATOM 0 H GLN A 96 8.623 -1.089 7.392 1.00 0.00 H new ATOM 0 HA GLN A 96 11.240 -1.164 6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.337 -2.386 5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.674 -0.881 4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.140 -0.766 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.483 -1.377 4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.045 -3.530 4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.190 -4.713 3.005 1.00 0.00 H new ATOM 1418 N LEU A 97 9.794 1.724 5.886 1.00 0.00 N ATOM 1419 CA LEU A 97 10.043 3.099 5.452 1.00 0.00 C ATOM 1420 C LEU A 97 11.203 3.722 6.229 1.00 0.00 C ATOM 1421 O LEU A 97 12.161 4.215 5.634 1.00 0.00 O ATOM 1422 CB LEU A 97 8.780 3.957 5.619 1.00 0.00 C ATOM 1423 CG LEU A 97 7.495 3.349 5.051 1.00 0.00 C ATOM 1424 CD1 LEU A 97 6.284 4.165 5.480 1.00 0.00 C ATOM 1425 CD2 LEU A 97 7.574 3.254 3.533 1.00 0.00 C ATOM 0 H LEU A 97 8.871 1.572 6.292 1.00 0.00 H new ATOM 0 HA LEU A 97 10.313 3.069 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.631 4.152 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.949 4.921 5.139 1.00 0.00 H new ATOM 0 HG LEU A 97 7.384 2.340 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.379 3.718 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.219 4.176 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.385 5.186 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.652 2.819 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.709 4.251 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.418 2.624 3.251 1.00 0.00 H new ATOM 1437 N HIS A 98 11.110 3.698 7.558 1.00 0.00 N ATOM 1438 CA HIS A 98 12.156 4.266 8.409 1.00 0.00 C ATOM 1439 C HIS A 98 13.409 3.387 8.417 1.00 0.00 C ATOM 1440 O HIS A 98 14.524 3.898 8.508 1.00 0.00 O ATOM 1441 CB HIS A 98 11.642 4.466 9.839 1.00 0.00 C ATOM 1442 CG HIS A 98 11.495 5.908 10.226 1.00 0.00 C ATOM 1443 ND1 HIS A 98 12.340 6.542 11.113 1.00 0.00 N ATOM 1444 CD2 HIS A 98 10.591 6.841 9.838 1.00 0.00 C ATOM 1445 CE1 HIS A 98 11.962 7.800 11.257 1.00 0.00 C ATOM 1446 NE2 HIS A 98 10.905 8.007 10.494 1.00 0.00 N ATOM 0 H HIS A 98 10.325 3.293 8.068 1.00 0.00 H new ATOM 0 HA HIS A 98 12.426 5.237 7.993 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.677 3.970 9.942 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.326 3.979 10.534 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.777 6.695 9.144 1.00 0.00 H new ATOM 0 HE1 HIS A 98 12.437 8.534 11.891 1.00 0.00 H new ATOM 0 HE2 HIS A 98 10.402 8.890 10.406 1.00 0.00 H new ATOM 1455 N ARG A 99 13.221 2.068 8.323 1.00 0.00 N ATOM 1456 CA ARG A 99 14.343 1.129 8.323 1.00 0.00 C ATOM 1457 C ARG A 99 15.263 1.363 7.125 1.00 0.00 C ATOM 1458 O ARG A 99 16.486 1.325 7.257 1.00 0.00 O ATOM 1459 CB ARG A 99 13.833 -0.316 8.309 1.00 0.00 C ATOM 1460 CG ARG A 99 13.549 -0.882 9.694 1.00 0.00 C ATOM 1461 CD ARG A 99 14.322 -2.169 9.948 1.00 0.00 C ATOM 1462 NE ARG A 99 13.989 -3.219 8.983 1.00 0.00 N ATOM 1463 CZ ARG A 99 12.889 -3.977 9.049 1.00 0.00 C ATOM 1464 NH1 ARG A 99 12.008 -3.804 10.030 1.00 0.00 N ATOM 1465 NH2 ARG A 99 12.673 -4.913 8.131 1.00 0.00 N ATOM 0 H ARG A 99 12.304 1.628 8.246 1.00 0.00 H new ATOM 0 HA ARG A 99 14.915 1.299 9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.921 -0.364 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.571 -0.947 7.813 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.815 -0.143 10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.481 -1.073 9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 99 15.391 -1.963 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.109 -2.525 10.956 1.00 0.00 H new ATOM 0 HE ARG A 99 14.637 -3.383 8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.169 -3.089 10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.172 -4.386 10.073 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.346 -5.053 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.835 -5.492 8.180 1.00 0.00 H new ATOM 1479 N PHE A 100 14.667 1.595 5.958 1.00 0.00 N ATOM 1480 CA PHE A 100 15.435 1.828 4.736 1.00 0.00 C ATOM 1481 C PHE A 100 15.993 3.248 4.689 1.00 0.00 C ATOM 1482 O PHE A 100 17.156 3.448 4.338 1.00 0.00 O ATOM 1483 CB PHE A 100 14.565 1.568 3.503 1.00 0.00 C ATOM 1484 CG PHE A 100 14.558 0.128 3.066 1.00 0.00 C ATOM 1485 CD1 PHE A 100 14.301 -0.887 3.976 1.00 0.00 C ATOM 1486 CD2 PHE A 100 14.813 -0.211 1.747 1.00 0.00 C ATOM 1487 CE1 PHE A 100 14.301 -2.210 3.577 1.00 0.00 C ATOM 1488 CE2 PHE A 100 14.817 -1.533 1.344 1.00 0.00 C ATOM 1489 CZ PHE A 100 14.559 -2.532 2.260 1.00 0.00 C ATOM 0 H PHE A 100 13.655 1.627 5.832 1.00 0.00 H new ATOM 0 HA PHE A 100 16.275 1.134 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 100 13.543 1.879 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.921 2.188 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 100 14.099 -0.640 5.008 1.00 0.00 H new ATOM 0 HD2 PHE A 100 15.011 0.567 1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 100 14.099 -2.991 4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 100 15.022 -1.784 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 100 14.559 -3.566 1.947 1.00 0.00 H new ATOM 1499 N GLU A 101 15.165 4.232 5.043 1.00 0.00 N ATOM 1500 CA GLU A 101 15.594 5.630 5.040 1.00 0.00 C ATOM 1501 C GLU A 101 16.744 5.847 6.017 1.00 0.00 C ATOM 1502 O GLU A 101 17.709 6.550 5.712 1.00 0.00 O ATOM 1503 CB GLU A 101 14.432 6.550 5.406 1.00 0.00 C ATOM 1504 CG GLU A 101 14.421 7.841 4.611 1.00 0.00 C ATOM 1505 CD GLU A 101 15.573 8.759 4.971 1.00 0.00 C ATOM 1506 OE1 GLU A 101 15.547 9.343 6.075 1.00 0.00 O ATOM 1507 OE2 GLU A 101 16.504 8.891 4.150 1.00 0.00 O ATOM 0 H GLU A 101 14.198 4.087 5.334 1.00 0.00 H new ATOM 0 HA GLU A 101 15.936 5.871 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.493 6.022 5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.484 6.786 6.469 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.466 7.608 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.479 8.362 4.784 1.00 0.00 H new ATOM 1514 N ALA A 102 16.624 5.234 7.195 1.00 0.00 N ATOM 1515 CA ALA A 102 17.640 5.340 8.241 1.00 0.00 C ATOM 1516 C ALA A 102 19.027 4.972 7.717 1.00 0.00 C ATOM 1517 O ALA A 102 20.006 5.661 8.003 1.00 0.00 O ATOM 1518 CB ALA A 102 17.273 4.452 9.422 1.00 0.00 C ATOM 0 H ALA A 102 15.825 4.654 7.449 1.00 0.00 H new ATOM 0 HA ALA A 102 17.672 6.379 8.569 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.037 4.540 10.194 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.310 4.764 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.208 3.415 9.091 1.00 0.00 H new ATOM 1524 N LYS A 103 19.102 3.882 6.952 1.00 0.00 N ATOM 1525 CA LYS A 103 20.366 3.426 6.393 1.00 0.00 C ATOM 1526 C LYS A 103 20.694 4.170 5.101 1.00 0.00 C ATOM 1527 O LYS A 103 21.852 4.508 4.848 1.00 0.00 O ATOM 1528 CB LYS A 103 20.328 1.916 6.145 1.00 0.00 C ATOM 1529 CG LYS A 103 19.123 1.430 5.355 1.00 0.00 C ATOM 1530 CD LYS A 103 19.252 -0.047 5.026 1.00 0.00 C ATOM 1531 CE LYS A 103 17.927 -0.776 5.181 1.00 0.00 C ATOM 1532 NZ LYS A 103 18.112 -2.254 5.246 1.00 0.00 N ATOM 0 H LYS A 103 18.300 3.301 6.708 1.00 0.00 H new ATOM 0 HA LYS A 103 21.152 3.641 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 103 21.234 1.626 5.613 1.00 0.00 H new ATOM 0 HB3 LYS A 103 20.345 1.403 7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 103 18.213 1.601 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 103 19.031 2.005 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.613 -0.162 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.996 -0.502 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 103 17.427 -0.432 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 103 17.275 -0.528 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 17.186 -2.715 5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 18.566 -2.586 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.713 -2.493 6.060 1.00 0.00 H new ATOM 1546 N GLY A 104 19.666 4.424 4.293 1.00 0.00 N ATOM 1547 CA GLY A 104 19.851 5.131 3.039 1.00 0.00 C ATOM 1548 C GLY A 104 19.680 4.236 1.824 1.00 0.00 C ATOM 1549 O GLY A 104 20.372 4.413 0.819 1.00 0.00 O ATOM 0 H GLY A 104 18.703 4.150 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.137 5.952 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 104 20.847 5.573 3.021 1.00 0.00 H new ATOM 1553 N THR A 105 18.754 3.279 1.910 1.00 0.00 N ATOM 1554 CA THR A 105 18.494 2.360 0.799 1.00 0.00 C ATOM 1555 C THR A 105 17.081 2.549 0.233 1.00 0.00 C ATOM 1556 O THR A 105 16.565 1.673 -0.466 1.00 0.00 O ATOM 1557 CB THR A 105 18.694 0.907 1.245 1.00 0.00 C ATOM 1558 OG1 THR A 105 17.928 0.623 2.403 1.00 0.00 O ATOM 1559 CG2 THR A 105 20.139 0.569 1.553 1.00 0.00 C ATOM 0 H THR A 105 18.174 3.120 2.734 1.00 0.00 H new ATOM 0 HA THR A 105 19.208 2.590 0.008 1.00 0.00 H new ATOM 0 HB THR A 105 18.367 0.300 0.401 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.014 0.384 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 105 20.211 -0.474 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 105 20.747 0.726 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.500 1.212 2.356 1.00 0.00 H new ATOM 1567 N LEU A 106 16.460 3.696 0.527 1.00 0.00 N ATOM 1568 CA LEU A 106 15.114 3.992 0.035 1.00 0.00 C ATOM 1569 C LEU A 106 15.100 4.072 -1.492 1.00 0.00 C ATOM 1570 O LEU A 106 14.289 3.418 -2.146 1.00 0.00 O ATOM 1571 CB LEU A 106 14.598 5.306 0.639 1.00 0.00 C ATOM 1572 CG LEU A 106 13.109 5.327 1.006 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.245 5.032 -0.210 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.817 4.337 2.126 1.00 0.00 C ATOM 0 H LEU A 106 16.869 4.432 1.102 1.00 0.00 H new ATOM 0 HA LEU A 106 14.454 3.181 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.178 5.525 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.790 6.111 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 106 12.863 6.328 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.194 5.053 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.427 5.785 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.494 4.046 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.755 4.368 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.086 3.332 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.401 4.602 3.007 1.00 0.00 H new ATOM 1586 N GLU A 107 16.009 4.871 -2.053 1.00 0.00 N ATOM 1587 CA GLU A 107 16.101 5.028 -3.507 1.00 0.00 C ATOM 1588 C GLU A 107 16.541 3.724 -4.173 1.00 0.00 C ATOM 1589 O GLU A 107 16.053 3.370 -5.247 1.00 0.00 O ATOM 1590 CB GLU A 107 17.072 6.156 -3.868 1.00 0.00 C ATOM 1591 CG GLU A 107 16.475 7.192 -4.810 1.00 0.00 C ATOM 1592 CD GLU A 107 17.177 8.534 -4.731 1.00 0.00 C ATOM 1593 OE1 GLU A 107 17.015 9.231 -3.706 1.00 0.00 O ATOM 1594 OE2 GLU A 107 17.884 8.892 -5.696 1.00 0.00 O ATOM 0 H GLU A 107 16.690 5.418 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 107 15.109 5.286 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.396 6.652 -2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.961 5.726 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.528 6.819 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.419 7.325 -4.574 1.00 0.00 H new ATOM 1601 N GLU A 108 17.463 3.012 -3.524 1.00 0.00 N ATOM 1602 CA GLU A 108 17.971 1.746 -4.044 1.00 0.00 C ATOM 1603 C GLU A 108 16.856 0.704 -4.128 1.00 0.00 C ATOM 1604 O GLU A 108 16.785 -0.063 -5.088 1.00 0.00 O ATOM 1605 CB GLU A 108 19.110 1.232 -3.159 1.00 0.00 C ATOM 1606 CG GLU A 108 19.821 0.010 -3.720 1.00 0.00 C ATOM 1607 CD GLU A 108 20.804 -0.596 -2.734 1.00 0.00 C ATOM 1608 OE1 GLU A 108 20.361 -1.070 -1.667 1.00 0.00 O ATOM 1609 OE2 GLU A 108 22.016 -0.595 -3.032 1.00 0.00 O ATOM 0 H GLU A 108 17.873 3.294 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 108 18.353 1.918 -5.050 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.838 2.031 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 108 18.711 0.988 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.081 -0.741 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.351 0.288 -4.631 1.00 0.00 H new ATOM 1616 N GLU A 109 15.984 0.683 -3.116 1.00 0.00 N ATOM 1617 CA GLU A 109 14.869 -0.262 -3.077 1.00 0.00 C ATOM 1618 C GLU A 109 13.972 -0.098 -4.303 1.00 0.00 C ATOM 1619 O GLU A 109 13.641 -1.080 -4.973 1.00 0.00 O ATOM 1620 CB GLU A 109 14.042 -0.073 -1.802 1.00 0.00 C ATOM 1621 CG GLU A 109 13.067 -1.214 -1.534 1.00 0.00 C ATOM 1622 CD GLU A 109 11.620 -0.852 -1.825 1.00 0.00 C ATOM 1623 OE1 GLU A 109 11.369 -0.114 -2.803 1.00 0.00 O ATOM 1624 OE2 GLU A 109 10.734 -1.312 -1.075 1.00 0.00 O ATOM 0 H GLU A 109 16.030 1.311 -2.313 1.00 0.00 H new ATOM 0 HA GLU A 109 15.287 -1.269 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.717 0.025 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.485 0.861 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.348 -2.073 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.155 -1.520 -0.491 1.00 0.00 H new ATOM 1631 N LEU A 110 13.583 1.148 -4.592 1.00 0.00 N ATOM 1632 CA LEU A 110 12.724 1.445 -5.741 1.00 0.00 C ATOM 1633 C LEU A 110 13.380 0.996 -7.049 1.00 0.00 C ATOM 1634 O LEU A 110 12.694 0.620 -8.001 1.00 0.00 O ATOM 1635 CB LEU A 110 12.405 2.946 -5.801 1.00 0.00 C ATOM 1636 CG LEU A 110 11.140 3.383 -5.053 1.00 0.00 C ATOM 1637 CD1 LEU A 110 9.925 2.613 -5.548 1.00 0.00 C ATOM 1638 CD2 LEU A 110 11.312 3.202 -3.550 1.00 0.00 C ATOM 0 H LEU A 110 13.850 1.967 -4.045 1.00 0.00 H new ATOM 0 HA LEU A 110 11.794 0.890 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 110 13.254 3.496 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.306 3.237 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 110 10.978 4.442 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.040 2.940 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.785 2.800 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 110 10.079 1.546 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.403 3.518 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.506 2.152 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.151 3.806 -3.204 1.00 0.00 H new ATOM 1650 N THR A 111 14.711 1.030 -7.085 1.00 0.00 N ATOM 1651 CA THR A 111 15.459 0.618 -8.270 1.00 0.00 C ATOM 1652 C THR A 111 15.533 -0.910 -8.361 1.00 0.00 C ATOM 1653 O THR A 111 15.521 -1.473 -9.456 1.00 0.00 O ATOM 1654 CB THR A 111 16.870 1.218 -8.241 1.00 0.00 C ATOM 1655 OG1 THR A 111 16.810 2.631 -8.148 1.00 0.00 O ATOM 1656 CG2 THR A 111 17.695 0.880 -9.467 1.00 0.00 C ATOM 0 H THR A 111 15.293 1.339 -6.307 1.00 0.00 H new ATOM 0 HA THR A 111 14.937 0.989 -9.152 1.00 0.00 H new ATOM 0 HB THR A 111 17.350 0.779 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 111 16.553 2.888 -7.238 1.00 0.00 H new ATOM 0 HG21 THR A 111 18.681 1.337 -9.379 1.00 0.00 H new ATOM 0 HG22 THR A 111 17.802 -0.202 -9.547 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.196 1.262 -10.358 1.00 0.00 H new ATOM 1664 N LYS A 112 15.606 -1.574 -7.202 1.00 0.00 N ATOM 1665 CA LYS A 112 15.677 -3.035 -7.147 1.00 0.00 C ATOM 1666 C LYS A 112 14.454 -3.676 -7.803 1.00 0.00 C ATOM 1667 O LYS A 112 14.586 -4.603 -8.601 1.00 0.00 O ATOM 1668 CB LYS A 112 15.793 -3.507 -5.693 1.00 0.00 C ATOM 1669 CG LYS A 112 16.196 -4.969 -5.550 1.00 0.00 C ATOM 1670 CD LYS A 112 15.022 -5.831 -5.103 1.00 0.00 C ATOM 1671 CE LYS A 112 14.474 -6.673 -6.247 1.00 0.00 C ATOM 1672 NZ LYS A 112 12.986 -6.622 -6.320 1.00 0.00 N ATOM 0 H LYS A 112 15.617 -1.120 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 112 16.564 -3.346 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.525 -2.886 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 112 14.836 -3.353 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 112 16.577 -5.337 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 112 17.008 -5.055 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.339 -6.484 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.231 -5.193 -4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.895 -6.321 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.795 -7.707 -6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.680 -6.792 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.583 -7.353 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.655 -5.685 -6.012 1.00 0.00 H new ATOM 1686 N ILE A 113 13.267 -3.177 -7.457 1.00 0.00 N ATOM 1687 CA ILE A 113 12.017 -3.704 -8.011 1.00 0.00 C ATOM 1688 C ILE A 113 11.924 -3.471 -9.518 1.00 0.00 C ATOM 1689 O ILE A 113 11.242 -4.216 -10.226 1.00 0.00 O ATOM 1690 CB ILE A 113 10.775 -3.082 -7.331 1.00 0.00 C ATOM 1691 CG1 ILE A 113 10.797 -1.555 -7.453 1.00 0.00 C ATOM 1692 CG2 ILE A 113 10.699 -3.505 -5.871 1.00 0.00 C ATOM 1693 CD1 ILE A 113 9.600 -0.878 -6.821 1.00 0.00 C ATOM 0 H ILE A 113 13.144 -2.410 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 113 12.030 -4.776 -7.813 1.00 0.00 H new ATOM 0 HB ILE A 113 9.885 -3.449 -7.841 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.706 -1.175 -6.987 1.00 0.00 H new ATOM 0 HG13 ILE A 113 10.842 -1.284 -8.508 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.819 -3.058 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.629 -4.591 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 113 11.594 -3.169 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.684 0.201 -6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.687 -1.229 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.565 -1.118 -5.758 1.00 0.00 H new ATOM 1705 N GLY A 114 12.607 -2.433 -10.004 1.00 0.00 N ATOM 1706 CA GLY A 114 12.583 -2.119 -11.419 1.00 0.00 C ATOM 1707 C GLY A 114 11.711 -0.915 -11.735 1.00 0.00 C ATOM 1708 O GLY A 114 11.218 -0.781 -12.856 1.00 0.00 O ATOM 0 H GLY A 114 13.177 -1.805 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.600 -1.927 -11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.217 -2.983 -11.973 1.00 0.00 H new ATOM 1712 N LEU A 115 11.523 -0.034 -10.748 1.00 0.00 N ATOM 1713 CA LEU A 115 10.710 1.165 -10.941 1.00 0.00 C ATOM 1714 C LEU A 115 11.457 2.186 -11.796 1.00 0.00 C ATOM 1715 O LEU A 115 10.892 2.760 -12.728 1.00 0.00 O ATOM 1716 CB LEU A 115 10.336 1.784 -9.591 1.00 0.00 C ATOM 1717 CG LEU A 115 9.020 2.568 -9.580 1.00 0.00 C ATOM 1718 CD1 LEU A 115 8.136 2.121 -8.424 1.00 0.00 C ATOM 1719 CD2 LEU A 115 9.294 4.063 -9.505 1.00 0.00 C ATOM 0 H LEU A 115 11.921 -0.129 -9.814 1.00 0.00 H new ATOM 0 HA LEU A 115 9.795 0.877 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.274 0.988 -8.848 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.141 2.450 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 115 8.488 2.363 -10.509 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.207 2.691 -8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 115 7.912 1.059 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.655 2.293 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.349 4.606 -9.498 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.848 4.286 -8.593 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.882 4.369 -10.370 1.00 0.00 H new ATOM 1731 N LEU A 116 12.731 2.401 -11.473 1.00 0.00 N ATOM 1732 CA LEU A 116 13.564 3.345 -12.212 1.00 0.00 C ATOM 1733 C LEU A 116 14.080 2.722 -13.512 1.00 0.00 C ATOM 1734 O LEU A 116 13.792 3.226 -14.599 1.00 0.00 O ATOM 1735 CB LEU A 116 14.734 3.823 -11.343 1.00 0.00 C ATOM 1736 CG LEU A 116 14.721 5.315 -10.995 1.00 0.00 C ATOM 1737 CD1 LEU A 116 13.407 5.697 -10.328 1.00 0.00 C ATOM 1738 CD2 LEU A 116 15.901 5.664 -10.098 1.00 0.00 C ATOM 0 H LEU A 116 13.209 1.933 -10.703 1.00 0.00 H new ATOM 0 HA LEU A 116 12.949 4.207 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.735 3.250 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.666 3.595 -11.860 1.00 0.00 H new ATOM 0 HG LEU A 116 14.813 5.885 -11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.416 6.760 -10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.580 5.485 -11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.283 5.120 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.876 6.728 -9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.841 5.085 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.832 5.429 -10.614 1.00 0.00 H new ATOM 1750 N PRO A 117 14.849 1.612 -13.426 1.00 0.00 N ATOM 1751 CA PRO A 117 15.391 0.935 -14.610 1.00 0.00 C ATOM 1752 C PRO A 117 14.332 0.113 -15.348 1.00 0.00 C ATOM 1753 O PRO A 117 14.164 0.330 -16.567 1.00 0.00 O ATOM 1754 CB PRO A 117 16.472 0.026 -14.028 1.00 0.00 C ATOM 1755 CG PRO A 117 16.010 -0.279 -12.645 1.00 0.00 C ATOM 1756 CD PRO A 117 15.249 0.934 -12.173 1.00 0.00 C ATOM 1757 OXT PRO A 117 13.679 -0.735 -14.703 1.00 0.00 O ATOM 0 HA PRO A 117 15.763 1.641 -15.352 1.00 0.00 H new ATOM 0 HB2 PRO A 117 16.583 -0.884 -14.618 1.00 0.00 H new ATOM 0 HB3 PRO A 117 17.443 0.521 -14.020 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.375 -1.165 -12.634 1.00 0.00 H new ATOM 0 HG3 PRO A 117 16.856 -0.486 -11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 117 14.381 0.654 -11.576 1.00 0.00 H new ATOM 0 HD3 PRO A 117 15.870 1.578 -11.551 1.00 0.00 H new TER 1765 PRO A 117