USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -155:sc= -0.0454 (180deg=-0.28) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 46:sc= 0.444 USER MOD Single : A 10 HIS : no HD1:sc= -2.9! K(o=-2.9!,f=-1) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.32! USER MOD Single : A 24 MET CE :methyl 178:sc= 0 (180deg=-0.00883) USER MOD Single : A 25 MET CE :methyl -177:sc= 0 (180deg=-0.00817) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.24! C(o=-7.2!,f=-15!) USER MOD Single : A 33 MET CE :methyl -173:sc= -8.36! (180deg=-9.14!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 18:sc= 0.0435 USER MOD Single : A 48 THR OG1 : rot -76:sc= -5.5! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0085 USER MOD Single : A 56 CYS SG : rot -100:sc= -14.9! USER MOD Single : A 57 THR OG1 : rot 77:sc= 0.0221 USER MOD Single : A 59 MET CE :methyl -166:sc= -0.0166 (180deg=-0.0787) USER MOD Single : A 61 HIS : no HE2:sc= -8.61! C(o=-8.6!,f=-15!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 175:sc= -0.622! USER MOD Single : A 75 TYR OH : rot 180:sc= -10.8! USER MOD Single : A 79 LYS NZ :NH3+ 144:sc= 0.417 (180deg=0.235) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.254 11.955 -4.106 1.00 0.00 N ATOM 2 CA MET A 1 -16.077 11.041 -4.114 1.00 0.00 C ATOM 3 C MET A 1 -16.047 10.238 -2.811 1.00 0.00 C ATOM 4 O MET A 1 -15.399 10.615 -1.854 1.00 0.00 O ATOM 5 CB MET A 1 -14.793 11.864 -4.238 1.00 0.00 C ATOM 6 CG MET A 1 -14.673 12.411 -5.661 1.00 0.00 C ATOM 7 SD MET A 1 -13.558 11.356 -6.620 1.00 0.00 S ATOM 8 CE MET A 1 -14.478 11.409 -8.177 1.00 0.00 C ATOM 0 H1 MET A 1 -17.530 12.174 -5.084 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.048 11.494 -3.618 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.007 12.835 -3.610 1.00 0.00 H new ATOM 0 HA MET A 1 -16.152 10.358 -4.960 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.804 12.685 -3.521 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.928 11.245 -4.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.655 12.445 -6.133 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.295 13.433 -5.639 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.959 10.812 -8.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.479 11.006 -8.022 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.551 12.441 -8.521 1.00 0.00 H new ATOM 20 N THR A 2 -16.742 9.134 -2.767 1.00 0.00 N ATOM 21 CA THR A 2 -16.754 8.308 -1.526 1.00 0.00 C ATOM 22 C THR A 2 -15.317 7.959 -1.133 1.00 0.00 C ATOM 23 O THR A 2 -14.408 8.027 -1.937 1.00 0.00 O ATOM 24 CB THR A 2 -17.543 7.021 -1.777 1.00 0.00 C ATOM 25 OG1 THR A 2 -17.446 6.179 -0.638 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.972 6.299 -2.999 1.00 0.00 C ATOM 0 H THR A 2 -17.302 8.768 -3.537 1.00 0.00 H new ATOM 0 HA THR A 2 -17.225 8.870 -0.719 1.00 0.00 H new ATOM 0 HB THR A 2 -18.589 7.266 -1.960 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.952 5.355 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.535 5.383 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.048 6.946 -3.873 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.925 6.053 -2.820 1.00 0.00 H new ATOM 34 N ASP A 3 -15.104 7.586 0.100 1.00 0.00 N ATOM 35 CA ASP A 3 -13.726 7.235 0.544 1.00 0.00 C ATOM 36 C ASP A 3 -13.578 5.713 0.607 1.00 0.00 C ATOM 37 O ASP A 3 -14.266 5.043 1.350 1.00 0.00 O ATOM 38 CB ASP A 3 -13.471 7.829 1.932 1.00 0.00 C ATOM 39 CG ASP A 3 -12.830 9.210 1.788 1.00 0.00 C ATOM 40 OD1 ASP A 3 -11.713 9.274 1.303 1.00 0.00 O ATOM 41 OD2 ASP A 3 -13.468 10.179 2.165 1.00 0.00 O ATOM 0 H ASP A 3 -15.824 7.509 0.818 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.004 7.640 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.408 7.907 2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.818 7.172 2.506 1.00 0.00 H new ATOM 46 N LEU A 4 -12.682 5.163 -0.167 1.00 0.00 N ATOM 47 CA LEU A 4 -12.484 3.685 -0.151 1.00 0.00 C ATOM 48 C LEU A 4 -11.432 3.321 0.901 1.00 0.00 C ATOM 49 O LEU A 4 -11.115 2.166 1.103 1.00 0.00 O ATOM 50 CB LEU A 4 -12.012 3.220 -1.531 1.00 0.00 C ATOM 51 CG LEU A 4 -13.174 3.305 -2.523 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.631 3.257 -3.953 1.00 0.00 C ATOM 53 CD2 LEU A 4 -14.121 2.124 -2.300 1.00 0.00 C ATOM 0 H LEU A 4 -12.078 5.674 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.426 3.194 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.183 3.840 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.642 2.196 -1.475 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.713 4.240 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.459 3.318 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.955 4.097 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.091 2.322 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.949 2.183 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.580 1.190 -2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.509 2.156 -1.282 1.00 0.00 H new ATOM 65 N PHE A 5 -10.886 4.301 1.569 1.00 0.00 N ATOM 66 CA PHE A 5 -9.853 4.023 2.606 1.00 0.00 C ATOM 67 C PHE A 5 -10.528 3.705 3.942 1.00 0.00 C ATOM 68 O PHE A 5 -9.905 3.745 4.983 1.00 0.00 O ATOM 69 CB PHE A 5 -8.951 5.247 2.768 1.00 0.00 C ATOM 70 CG PHE A 5 -7.776 5.144 1.821 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.817 4.268 0.733 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.643 5.931 2.030 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.722 4.183 -0.138 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.562 5.841 1.148 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.596 4.973 0.071 1.00 0.00 C ATOM 0 H PHE A 5 -11.113 5.287 1.440 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.255 3.167 2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.516 6.157 2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.596 5.316 3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.691 3.657 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.601 6.608 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.753 3.501 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.689 6.457 1.309 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.754 4.909 -0.603 1.00 0.00 H new ATOM 85 N SER A 6 -11.797 3.397 3.918 1.00 0.00 N ATOM 86 CA SER A 6 -12.519 3.073 5.184 1.00 0.00 C ATOM 87 C SER A 6 -11.663 2.128 6.034 1.00 0.00 C ATOM 88 O SER A 6 -10.616 1.677 5.616 1.00 0.00 O ATOM 89 CB SER A 6 -13.849 2.396 4.853 1.00 0.00 C ATOM 90 OG SER A 6 -14.695 3.326 4.188 1.00 0.00 O ATOM 0 H SER A 6 -12.367 3.356 3.073 1.00 0.00 H new ATOM 0 HA SER A 6 -12.707 3.992 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.680 1.524 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.327 2.040 5.766 1.00 0.00 H new ATOM 0 HG SER A 6 -15.549 2.896 3.972 1.00 0.00 H new ATOM 96 N SER A 7 -12.099 1.820 7.225 1.00 0.00 N ATOM 97 CA SER A 7 -11.297 0.913 8.094 1.00 0.00 C ATOM 98 C SER A 7 -10.844 -0.303 7.275 1.00 0.00 C ATOM 99 O SER A 7 -11.629 -1.186 6.996 1.00 0.00 O ATOM 100 CB SER A 7 -12.161 0.438 9.263 1.00 0.00 C ATOM 101 OG SER A 7 -13.422 0.006 8.771 1.00 0.00 O ATOM 0 H SER A 7 -12.972 2.155 7.632 1.00 0.00 H new ATOM 0 HA SER A 7 -10.426 1.446 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.665 -0.377 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.296 1.246 9.982 1.00 0.00 H new ATOM 0 HG SER A 7 -13.289 -0.560 7.982 1.00 0.00 H new ATOM 107 N PRO A 8 -9.584 -0.302 6.906 1.00 0.00 N ATOM 108 CA PRO A 8 -8.989 -1.388 6.104 1.00 0.00 C ATOM 109 C PRO A 8 -8.754 -2.623 6.975 1.00 0.00 C ATOM 110 O PRO A 8 -8.955 -2.600 8.173 1.00 0.00 O ATOM 111 CB PRO A 8 -7.666 -0.792 5.613 1.00 0.00 C ATOM 112 CG PRO A 8 -7.312 0.347 6.597 1.00 0.00 C ATOM 113 CD PRO A 8 -8.631 0.771 7.266 1.00 0.00 C ATOM 0 HA PRO A 8 -9.625 -1.717 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.881 -1.549 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.765 -0.411 4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.591 0.007 7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.856 1.186 6.072 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.519 0.858 8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.968 1.741 6.902 1.00 0.00 H new ATOM 121 N ASP A 9 -8.323 -3.703 6.384 1.00 0.00 N ATOM 122 CA ASP A 9 -8.071 -4.936 7.181 1.00 0.00 C ATOM 123 C ASP A 9 -6.638 -4.903 7.717 1.00 0.00 C ATOM 124 O ASP A 9 -6.316 -5.543 8.699 1.00 0.00 O ATOM 125 CB ASP A 9 -8.252 -6.166 6.288 1.00 0.00 C ATOM 126 CG ASP A 9 -9.727 -6.313 5.910 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.489 -6.770 6.745 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.070 -5.964 4.792 1.00 0.00 O ATOM 0 H ASP A 9 -8.135 -3.785 5.385 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.774 -4.986 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.644 -6.068 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.909 -7.060 6.809 1.00 0.00 H new ATOM 133 N HIS A 10 -5.777 -4.165 7.074 1.00 0.00 N ATOM 134 CA HIS A 10 -4.363 -4.088 7.533 1.00 0.00 C ATOM 135 C HIS A 10 -3.834 -2.670 7.303 1.00 0.00 C ATOM 136 O HIS A 10 -4.506 -1.847 6.726 1.00 0.00 O ATOM 137 CB HIS A 10 -3.530 -5.078 6.721 1.00 0.00 C ATOM 138 CG HIS A 10 -3.672 -6.454 7.311 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.610 -7.125 7.895 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.751 -7.298 7.410 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.068 -8.318 8.317 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.367 -8.475 8.046 1.00 0.00 N ATOM 0 H HIS A 10 -5.993 -3.609 6.246 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.300 -4.331 8.594 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.859 -5.080 5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.483 -4.776 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.746 -7.081 7.049 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.459 -9.059 8.814 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.951 -9.283 8.259 1.00 0.00 H new ATOM 150 N THR A 11 -2.641 -2.373 7.749 1.00 0.00 N ATOM 151 CA THR A 11 -2.092 -1.004 7.538 1.00 0.00 C ATOM 152 C THR A 11 -0.578 -1.079 7.314 1.00 0.00 C ATOM 153 O THR A 11 0.070 -2.040 7.678 1.00 0.00 O ATOM 154 CB THR A 11 -2.364 -0.161 8.775 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.749 -0.219 9.093 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.954 1.291 8.514 1.00 0.00 C ATOM 0 H THR A 11 -2.027 -3.017 8.248 1.00 0.00 H new ATOM 0 HA THR A 11 -2.568 -0.557 6.665 1.00 0.00 H new ATOM 0 HB THR A 11 -1.784 -0.550 9.612 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.924 0.323 9.891 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.151 1.890 9.403 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.891 1.332 8.277 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.528 1.686 7.676 1.00 0.00 H new ATOM 164 N LEU A 12 -0.013 -0.062 6.727 1.00 0.00 N ATOM 165 CA LEU A 12 1.463 -0.052 6.486 1.00 0.00 C ATOM 166 C LEU A 12 1.990 1.374 6.547 1.00 0.00 C ATOM 167 O LEU A 12 1.714 2.168 5.686 1.00 0.00 O ATOM 168 CB LEU A 12 1.771 -0.597 5.087 1.00 0.00 C ATOM 169 CG LEU A 12 3.236 -0.272 4.695 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.161 -0.523 5.887 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.663 -1.181 3.546 1.00 0.00 C ATOM 0 H LEU A 12 -0.509 0.768 6.401 1.00 0.00 H new ATOM 0 HA LEU A 12 1.935 -0.669 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.612 -1.675 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.087 -0.160 4.360 1.00 0.00 H new ATOM 0 HG LEU A 12 3.301 0.774 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.188 -0.293 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.862 0.113 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.093 -1.569 6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.692 -0.956 3.267 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.592 -2.222 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.010 -1.015 2.689 1.00 0.00 H new ATOM 183 N ASP A 13 2.789 1.697 7.516 1.00 0.00 N ATOM 184 CA ASP A 13 3.360 3.067 7.545 1.00 0.00 C ATOM 185 C ASP A 13 4.561 3.061 6.598 1.00 0.00 C ATOM 186 O ASP A 13 5.310 2.105 6.561 1.00 0.00 O ATOM 187 CB ASP A 13 3.814 3.413 8.965 1.00 0.00 C ATOM 188 CG ASP A 13 4.090 4.914 9.062 1.00 0.00 C ATOM 189 OD1 ASP A 13 5.184 5.319 8.706 1.00 0.00 O ATOM 190 OD2 ASP A 13 3.203 5.633 9.492 1.00 0.00 O ATOM 0 H ASP A 13 3.070 1.083 8.280 1.00 0.00 H new ATOM 0 HA ASP A 13 2.622 3.809 7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.046 3.127 9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.713 2.850 9.218 1.00 0.00 H new ATOM 195 N ALA A 14 4.774 4.097 5.836 1.00 0.00 N ATOM 196 CA ALA A 14 5.949 4.081 4.923 1.00 0.00 C ATOM 197 C ALA A 14 6.521 5.498 4.859 1.00 0.00 C ATOM 198 O ALA A 14 7.280 5.894 3.971 1.00 0.00 O ATOM 199 CB ALA A 14 5.539 3.539 3.561 1.00 0.00 C ATOM 0 H ALA A 14 4.198 4.938 5.805 1.00 0.00 H new ATOM 0 HA ALA A 14 6.731 3.417 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.404 3.530 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.157 2.524 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.762 4.174 3.136 1.00 0.00 H new ATOM 205 N LEU A 15 6.171 6.240 5.862 1.00 0.00 N ATOM 206 CA LEU A 15 6.665 7.608 6.030 1.00 0.00 C ATOM 207 C LEU A 15 8.015 7.488 6.708 1.00 0.00 C ATOM 208 O LEU A 15 8.127 7.149 7.868 1.00 0.00 O ATOM 209 CB LEU A 15 5.701 8.375 6.907 1.00 0.00 C ATOM 210 CG LEU A 15 4.275 7.875 6.663 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.272 8.822 7.314 1.00 0.00 C ATOM 212 CD2 LEU A 15 4.022 7.819 5.159 1.00 0.00 C ATOM 0 H LEU A 15 5.535 5.932 6.598 1.00 0.00 H new ATOM 0 HA LEU A 15 6.753 8.135 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.967 8.247 7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.765 9.441 6.690 1.00 0.00 H new ATOM 0 HG LEU A 15 4.157 6.883 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.260 8.459 7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.457 8.867 8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.381 9.818 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.008 7.464 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.141 8.815 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.736 7.138 4.695 1.00 0.00 H new ATOM 224 N GLY A 16 9.034 7.694 5.957 1.00 0.00 N ATOM 225 CA GLY A 16 10.407 7.523 6.488 1.00 0.00 C ATOM 226 C GLY A 16 10.909 6.162 5.994 1.00 0.00 C ATOM 227 O GLY A 16 12.027 5.762 6.248 1.00 0.00 O ATOM 0 H GLY A 16 8.983 7.979 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.058 8.325 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.407 7.563 7.577 1.00 0.00 H new ATOM 231 N LEU A 17 10.072 5.462 5.261 1.00 0.00 N ATOM 232 CA LEU A 17 10.454 4.147 4.707 1.00 0.00 C ATOM 233 C LEU A 17 10.873 4.365 3.284 1.00 0.00 C ATOM 234 O LEU A 17 10.372 5.241 2.617 1.00 0.00 O ATOM 235 CB LEU A 17 9.251 3.212 4.680 1.00 0.00 C ATOM 236 CG LEU A 17 8.811 2.846 6.086 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.138 1.482 6.028 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.012 2.759 7.014 1.00 0.00 C ATOM 0 H LEU A 17 9.126 5.763 5.026 1.00 0.00 H new ATOM 0 HA LEU A 17 11.246 3.712 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.427 3.690 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.502 2.307 4.127 1.00 0.00 H new ATOM 0 HG LEU A 17 8.129 3.608 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.812 1.195 7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.275 1.530 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.845 0.743 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.678 2.496 8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.700 1.996 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.521 3.723 7.042 1.00 0.00 H new ATOM 250 N ARG A 18 11.753 3.581 2.790 1.00 0.00 N ATOM 251 CA ARG A 18 12.142 3.781 1.384 1.00 0.00 C ATOM 252 C ARG A 18 12.387 2.440 0.734 1.00 0.00 C ATOM 253 O ARG A 18 12.824 1.503 1.367 1.00 0.00 O ATOM 254 CB ARG A 18 13.371 4.661 1.312 1.00 0.00 C ATOM 255 CG ARG A 18 14.362 4.273 2.412 1.00 0.00 C ATOM 256 CD ARG A 18 15.327 5.433 2.662 1.00 0.00 C ATOM 257 NE ARG A 18 16.608 4.904 3.208 1.00 0.00 N ATOM 258 CZ ARG A 18 17.054 5.332 4.356 1.00 0.00 C ATOM 259 NH1 ARG A 18 17.430 6.575 4.489 1.00 0.00 N ATOM 260 NH2 ARG A 18 17.125 4.516 5.373 1.00 0.00 N ATOM 0 H ARG A 18 12.219 2.819 3.282 1.00 0.00 H new ATOM 0 HA ARG A 18 11.338 4.282 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.843 4.560 0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.085 5.707 1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.826 4.028 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.916 3.382 2.119 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.511 5.974 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.886 6.142 3.362 1.00 0.00 H new ATOM 0 HE ARG A 18 17.136 4.207 2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.375 7.212 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.779 6.909 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.832 3.545 5.269 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.474 4.850 6.271 1.00 0.00 H new ATOM 274 N CYS A 19 12.106 2.334 -0.517 1.00 0.00 N ATOM 275 CA CYS A 19 12.308 1.028 -1.201 1.00 0.00 C ATOM 276 C CYS A 19 13.683 0.491 -0.833 1.00 0.00 C ATOM 277 O CYS A 19 14.631 1.244 -0.739 1.00 0.00 O ATOM 278 CB CYS A 19 12.212 1.226 -2.711 1.00 0.00 C ATOM 279 SG CYS A 19 12.820 -0.249 -3.569 1.00 0.00 S ATOM 0 H CYS A 19 11.746 3.086 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 19 11.543 0.318 -0.888 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.178 1.422 -2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.795 2.097 -3.010 1.00 0.00 H new ATOM 0 HG CYS A 19 12.732 -0.071 -4.854 1.00 0.00 H new ATOM 285 N PRO A 20 13.761 -0.800 -0.642 1.00 0.00 N ATOM 286 CA PRO A 20 12.615 -1.738 -0.752 1.00 0.00 C ATOM 287 C PRO A 20 11.867 -1.884 0.588 1.00 0.00 C ATOM 288 O PRO A 20 10.996 -2.712 0.724 1.00 0.00 O ATOM 289 CB PRO A 20 13.297 -3.069 -1.061 1.00 0.00 C ATOM 290 CG PRO A 20 14.739 -2.955 -0.504 1.00 0.00 C ATOM 291 CD PRO A 20 15.037 -1.457 -0.325 1.00 0.00 C ATOM 0 HA PRO A 20 11.885 -1.405 -1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.764 -3.897 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.308 -3.261 -2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.828 -3.482 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.454 -3.411 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.359 -1.233 0.692 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.833 -1.126 -0.992 1.00 0.00 H new ATOM 299 N GLU A 21 12.259 -1.151 1.588 1.00 0.00 N ATOM 300 CA GLU A 21 11.634 -1.295 2.953 1.00 0.00 C ATOM 301 C GLU A 21 10.104 -1.190 2.967 1.00 0.00 C ATOM 302 O GLU A 21 9.452 -2.002 3.589 1.00 0.00 O ATOM 303 CB GLU A 21 12.213 -0.247 3.891 1.00 0.00 C ATOM 304 CG GLU A 21 13.621 -0.665 4.321 1.00 0.00 C ATOM 305 CD GLU A 21 14.244 0.442 5.174 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.831 0.588 6.313 1.00 0.00 O ATOM 307 OE2 GLU A 21 15.122 1.125 4.674 1.00 0.00 O ATOM 0 H GLU A 21 12.994 -0.446 1.529 1.00 0.00 H new ATOM 0 HA GLU A 21 11.874 -2.305 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.246 0.722 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.573 -0.134 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.579 -1.595 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.239 -0.854 3.444 1.00 0.00 H new ATOM 314 N PRO A 22 9.569 -0.212 2.314 1.00 0.00 N ATOM 315 CA PRO A 22 8.116 -0.013 2.276 1.00 0.00 C ATOM 316 C PRO A 22 7.511 -1.133 1.461 1.00 0.00 C ATOM 317 O PRO A 22 6.786 -1.969 1.961 1.00 0.00 O ATOM 318 CB PRO A 22 7.957 1.352 1.614 1.00 0.00 C ATOM 319 CG PRO A 22 9.270 1.624 0.854 1.00 0.00 C ATOM 320 CD PRO A 22 10.342 0.753 1.529 1.00 0.00 C ATOM 0 HA PRO A 22 7.619 -0.032 3.246 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.106 1.356 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.772 2.126 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.169 1.370 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.538 2.679 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.973 0.255 0.793 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.999 1.348 2.163 1.00 0.00 H new ATOM 328 N VAL A 23 7.851 -1.185 0.221 1.00 0.00 N ATOM 329 CA VAL A 23 7.359 -2.293 -0.627 1.00 0.00 C ATOM 330 C VAL A 23 7.571 -3.601 0.136 1.00 0.00 C ATOM 331 O VAL A 23 6.891 -4.583 -0.086 1.00 0.00 O ATOM 332 CB VAL A 23 8.187 -2.335 -1.902 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.832 -3.588 -2.704 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.905 -1.090 -2.741 1.00 0.00 C ATOM 0 H VAL A 23 8.451 -0.508 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 23 6.305 -2.154 -0.870 1.00 0.00 H new ATOM 0 HB VAL A 23 9.245 -2.361 -1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.426 -3.616 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.043 -4.475 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.773 -3.568 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.500 -1.124 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.846 -1.057 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.167 -0.199 -2.170 1.00 0.00 H new ATOM 344 N MET A 24 8.530 -3.620 1.033 1.00 0.00 N ATOM 345 CA MET A 24 8.801 -4.866 1.806 1.00 0.00 C ATOM 346 C MET A 24 7.710 -5.075 2.856 1.00 0.00 C ATOM 347 O MET A 24 7.225 -6.171 3.050 1.00 0.00 O ATOM 348 CB MET A 24 10.157 -4.749 2.502 1.00 0.00 C ATOM 349 CG MET A 24 11.263 -5.203 1.549 1.00 0.00 C ATOM 350 SD MET A 24 12.860 -4.590 2.141 1.00 0.00 S ATOM 351 CE MET A 24 13.123 -5.842 3.419 1.00 0.00 C ATOM 0 H MET A 24 9.132 -2.828 1.259 1.00 0.00 H new ATOM 0 HA MET A 24 8.810 -5.715 1.123 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.330 -3.718 2.812 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.168 -5.360 3.405 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.280 -6.291 1.486 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.068 -4.829 0.544 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.087 -5.675 3.899 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.330 -5.774 4.164 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.111 -6.833 2.965 1.00 0.00 H new ATOM 361 N MET A 25 7.319 -4.034 3.538 1.00 0.00 N ATOM 362 CA MET A 25 6.260 -4.185 4.571 1.00 0.00 C ATOM 363 C MET A 25 5.003 -4.725 3.907 1.00 0.00 C ATOM 364 O MET A 25 4.357 -5.607 4.420 1.00 0.00 O ATOM 365 CB MET A 25 5.966 -2.829 5.212 1.00 0.00 C ATOM 366 CG MET A 25 6.873 -2.624 6.429 1.00 0.00 C ATOM 367 SD MET A 25 8.588 -3.005 5.986 1.00 0.00 S ATOM 368 CE MET A 25 9.383 -2.024 7.282 1.00 0.00 C ATOM 0 H MET A 25 7.686 -3.089 3.424 1.00 0.00 H new ATOM 0 HA MET A 25 6.594 -4.875 5.346 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.128 -2.031 4.487 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.920 -2.778 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.798 -1.595 6.781 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.548 -3.265 7.248 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.465 -2.073 7.163 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.056 -0.987 7.206 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.107 -2.421 8.259 1.00 0.00 H new ATOM 378 N VAL A 26 4.655 -4.214 2.765 1.00 0.00 N ATOM 379 CA VAL A 26 3.445 -4.738 2.072 1.00 0.00 C ATOM 380 C VAL A 26 3.706 -6.186 1.685 1.00 0.00 C ATOM 381 O VAL A 26 2.800 -6.970 1.542 1.00 0.00 O ATOM 382 CB VAL A 26 3.178 -3.934 0.805 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.049 -4.588 0.002 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.754 -2.522 1.174 1.00 0.00 C ATOM 0 H VAL A 26 5.148 -3.463 2.282 1.00 0.00 H new ATOM 0 HA VAL A 26 2.582 -4.661 2.734 1.00 0.00 H new ATOM 0 HB VAL A 26 4.090 -3.907 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.863 -4.009 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.337 -5.603 -0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.143 -4.618 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.564 -1.950 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.846 -2.560 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.548 -2.041 1.746 1.00 0.00 H new ATOM 394 N ARG A 27 4.947 -6.544 1.503 1.00 0.00 N ATOM 395 CA ARG A 27 5.264 -7.949 1.120 1.00 0.00 C ATOM 396 C ARG A 27 4.900 -8.877 2.264 1.00 0.00 C ATOM 397 O ARG A 27 4.084 -9.749 2.125 1.00 0.00 O ATOM 398 CB ARG A 27 6.760 -8.112 0.858 1.00 0.00 C ATOM 399 CG ARG A 27 6.997 -8.383 -0.627 1.00 0.00 C ATOM 400 CD ARG A 27 7.050 -9.892 -0.869 1.00 0.00 C ATOM 401 NE ARG A 27 7.035 -10.162 -2.335 1.00 0.00 N ATOM 402 CZ ARG A 27 7.420 -11.323 -2.791 1.00 0.00 C ATOM 403 NH1 ARG A 27 6.584 -12.325 -2.809 1.00 0.00 N ATOM 404 NH2 ARG A 27 8.638 -11.480 -3.230 1.00 0.00 N ATOM 0 H ARG A 27 5.753 -5.927 1.602 1.00 0.00 H new ATOM 0 HA ARG A 27 4.699 -8.190 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.292 -7.211 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.156 -8.933 1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.199 -7.937 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.930 -7.920 -0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.951 -10.311 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.200 -10.378 -0.390 1.00 0.00 H new ATOM 0 HE ARG A 27 6.723 -9.438 -2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.631 -12.200 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.883 -13.233 -3.165 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.290 -10.696 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.939 -12.387 -3.586 1.00 0.00 H new ATOM 418 N LYS A 28 5.524 -8.686 3.390 1.00 0.00 N ATOM 419 CA LYS A 28 5.253 -9.559 4.574 1.00 0.00 C ATOM 420 C LYS A 28 3.789 -9.428 4.971 1.00 0.00 C ATOM 421 O LYS A 28 3.144 -10.384 5.343 1.00 0.00 O ATOM 422 CB LYS A 28 6.144 -9.134 5.743 1.00 0.00 C ATOM 423 CG LYS A 28 6.180 -7.607 5.832 1.00 0.00 C ATOM 424 CD LYS A 28 5.621 -7.160 7.183 1.00 0.00 C ATOM 425 CE LYS A 28 6.691 -6.375 7.943 1.00 0.00 C ATOM 426 NZ LYS A 28 7.478 -7.308 8.798 1.00 0.00 N ATOM 0 H LYS A 28 6.219 -7.956 3.547 1.00 0.00 H new ATOM 0 HA LYS A 28 5.470 -10.596 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.764 -9.554 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.152 -9.524 5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.203 -7.250 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.595 -7.171 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.736 -6.541 7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.309 -8.028 7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.350 -5.865 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.225 -5.606 8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.206 -6.775 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.844 -7.776 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.934 -8.026 8.200 1.00 0.00 H new ATOM 440 N THR A 29 3.264 -8.248 4.865 1.00 0.00 N ATOM 441 CA THR A 29 1.837 -8.015 5.192 1.00 0.00 C ATOM 442 C THR A 29 1.021 -8.755 4.144 1.00 0.00 C ATOM 443 O THR A 29 -0.026 -9.310 4.406 1.00 0.00 O ATOM 444 CB THR A 29 1.592 -6.509 5.103 1.00 0.00 C ATOM 445 OG1 THR A 29 1.828 -5.916 6.371 1.00 0.00 O ATOM 446 CG2 THR A 29 0.166 -6.194 4.648 1.00 0.00 C ATOM 0 H THR A 29 3.773 -7.418 4.560 1.00 0.00 H new ATOM 0 HA THR A 29 1.564 -8.366 6.187 1.00 0.00 H new ATOM 0 HB THR A 29 2.278 -6.099 4.362 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.673 -4.950 6.314 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.031 -5.114 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.006 -6.628 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.544 -6.615 5.359 1.00 0.00 H new ATOM 454 N VAL A 30 1.544 -8.788 2.959 1.00 0.00 N ATOM 455 CA VAL A 30 0.880 -9.507 1.850 1.00 0.00 C ATOM 456 C VAL A 30 0.984 -10.995 2.172 1.00 0.00 C ATOM 457 O VAL A 30 0.140 -11.794 1.819 1.00 0.00 O ATOM 458 CB VAL A 30 1.640 -9.188 0.553 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.503 -10.333 -0.440 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.099 -7.908 -0.091 1.00 0.00 C ATOM 0 H VAL A 30 2.423 -8.337 2.707 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.164 -9.217 1.730 1.00 0.00 H new ATOM 0 HB VAL A 30 2.690 -9.049 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.047 -10.090 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.914 -11.244 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.450 -10.486 -0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.651 -7.701 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.042 -8.037 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.218 -7.074 0.601 1.00 0.00 H new ATOM 470 N ARG A 31 2.029 -11.349 2.866 1.00 0.00 N ATOM 471 CA ARG A 31 2.239 -12.763 3.263 1.00 0.00 C ATOM 472 C ARG A 31 1.257 -13.093 4.382 1.00 0.00 C ATOM 473 O ARG A 31 0.813 -14.215 4.523 1.00 0.00 O ATOM 474 CB ARG A 31 3.669 -12.943 3.785 1.00 0.00 C ATOM 475 CG ARG A 31 4.682 -12.622 2.677 1.00 0.00 C ATOM 476 CD ARG A 31 6.081 -13.068 3.107 1.00 0.00 C ATOM 477 NE ARG A 31 6.284 -14.500 2.748 1.00 0.00 N ATOM 478 CZ ARG A 31 5.921 -15.440 3.577 1.00 0.00 C ATOM 479 NH1 ARG A 31 6.742 -15.841 4.510 1.00 0.00 N ATOM 480 NH2 ARG A 31 4.738 -15.980 3.472 1.00 0.00 N ATOM 0 H ARG A 31 2.756 -10.706 3.178 1.00 0.00 H new ATOM 0 HA ARG A 31 2.083 -13.420 2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.836 -12.290 4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.811 -13.966 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.397 -13.127 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.680 -11.552 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.836 -12.450 2.620 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.202 -12.932 4.182 1.00 0.00 H new ATOM 0 HE ARG A 31 6.707 -14.746 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.667 -15.419 4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.458 -16.576 5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.098 -15.667 2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.454 -16.715 4.120 1.00 0.00 H new ATOM 494 N ASN A 32 0.912 -12.118 5.183 1.00 0.00 N ATOM 495 CA ASN A 32 -0.048 -12.385 6.291 1.00 0.00 C ATOM 496 C ASN A 32 -1.438 -11.891 5.891 1.00 0.00 C ATOM 497 O ASN A 32 -2.351 -11.857 6.691 1.00 0.00 O ATOM 498 CB ASN A 32 0.415 -11.675 7.571 1.00 0.00 C ATOM 499 CG ASN A 32 0.330 -10.156 7.400 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.494 -9.655 6.661 1.00 0.00 O ATOM 501 ND2 ASN A 32 1.152 -9.393 8.070 1.00 0.00 N ATOM 0 H ASN A 32 1.251 -11.158 5.118 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.088 -13.457 6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.204 -11.988 8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.440 -11.964 7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.101 -8.379 7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.845 -9.811 8.691 1.00 0.00 H new ATOM 508 N MET A 33 -1.607 -11.511 4.653 1.00 0.00 N ATOM 509 CA MET A 33 -2.938 -11.025 4.201 1.00 0.00 C ATOM 510 C MET A 33 -3.668 -12.136 3.449 1.00 0.00 C ATOM 511 O MET A 33 -3.159 -13.224 3.267 1.00 0.00 O ATOM 512 CB MET A 33 -2.768 -9.822 3.269 1.00 0.00 C ATOM 513 CG MET A 33 -2.803 -8.531 4.088 1.00 0.00 C ATOM 514 SD MET A 33 -3.496 -7.194 3.083 1.00 0.00 S ATOM 515 CE MET A 33 -5.175 -7.859 2.934 1.00 0.00 C ATOM 0 H MET A 33 -0.880 -11.517 3.937 1.00 0.00 H new ATOM 0 HA MET A 33 -3.517 -10.730 5.076 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.824 -9.897 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.562 -9.813 2.522 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.404 -8.674 4.986 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.797 -8.269 4.416 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.749 -7.245 2.240 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.129 -8.882 2.561 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.658 -7.850 3.911 1.00 0.00 H new ATOM 525 N GLN A 34 -4.861 -11.859 3.010 1.00 0.00 N ATOM 526 CA GLN A 34 -5.653 -12.872 2.263 1.00 0.00 C ATOM 527 C GLN A 34 -6.347 -12.174 1.094 1.00 0.00 C ATOM 528 O GLN A 34 -6.613 -10.991 1.158 1.00 0.00 O ATOM 529 CB GLN A 34 -6.701 -13.489 3.191 1.00 0.00 C ATOM 530 CG GLN A 34 -6.004 -14.333 4.258 1.00 0.00 C ATOM 531 CD GLN A 34 -7.050 -15.109 5.059 1.00 0.00 C ATOM 532 OE1 GLN A 34 -7.652 -14.576 5.970 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.297 -16.354 4.755 1.00 0.00 N ATOM 0 H GLN A 34 -5.328 -10.961 3.139 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.000 -13.663 1.893 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.292 -12.704 3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.392 -14.107 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.303 -15.024 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.424 -13.692 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.792 -16.802 3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.995 -16.879 5.282 1.00 0.00 H new ATOM 542 N PRO A 35 -6.616 -12.918 0.057 1.00 0.00 N ATOM 543 CA PRO A 35 -7.274 -12.373 -1.137 1.00 0.00 C ATOM 544 C PRO A 35 -8.730 -12.048 -0.825 1.00 0.00 C ATOM 545 O PRO A 35 -9.502 -12.889 -0.409 1.00 0.00 O ATOM 546 CB PRO A 35 -7.136 -13.487 -2.175 1.00 0.00 C ATOM 547 CG PRO A 35 -6.893 -14.791 -1.379 1.00 0.00 C ATOM 548 CD PRO A 35 -6.318 -14.363 -0.014 1.00 0.00 C ATOM 0 HA PRO A 35 -6.836 -11.441 -1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.036 -13.565 -2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.308 -13.286 -2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.821 -15.348 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.198 -15.445 -1.906 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.786 -14.909 0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.247 -14.554 0.046 1.00 0.00 H new ATOM 556 N GLY A 36 -9.089 -10.813 -0.992 1.00 0.00 N ATOM 557 CA GLY A 36 -10.468 -10.371 -0.679 1.00 0.00 C ATOM 558 C GLY A 36 -10.391 -9.472 0.552 1.00 0.00 C ATOM 559 O GLY A 36 -11.374 -9.228 1.223 1.00 0.00 O ATOM 0 H GLY A 36 -8.473 -10.077 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.899 -9.831 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.112 -11.229 -0.488 1.00 0.00 H new ATOM 563 N GLU A 37 -9.212 -8.986 0.860 1.00 0.00 N ATOM 564 CA GLU A 37 -9.052 -8.112 2.054 1.00 0.00 C ATOM 565 C GLU A 37 -8.494 -6.758 1.620 1.00 0.00 C ATOM 566 O GLU A 37 -8.333 -6.496 0.447 1.00 0.00 O ATOM 567 CB GLU A 37 -8.087 -8.776 3.032 1.00 0.00 C ATOM 568 CG GLU A 37 -8.869 -9.659 4.007 1.00 0.00 C ATOM 569 CD GLU A 37 -8.698 -9.123 5.430 1.00 0.00 C ATOM 570 OE1 GLU A 37 -7.569 -8.870 5.814 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.700 -8.974 6.110 1.00 0.00 O ATOM 0 H GLU A 37 -8.356 -9.160 0.333 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.018 -7.965 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.358 -9.376 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.530 -8.017 3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.925 -9.672 3.736 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.513 -10.687 3.949 1.00 0.00 H new ATOM 578 N THR A 38 -8.200 -5.890 2.553 1.00 0.00 N ATOM 579 CA THR A 38 -7.661 -4.554 2.170 1.00 0.00 C ATOM 580 C THR A 38 -6.501 -4.157 3.086 1.00 0.00 C ATOM 581 O THR A 38 -6.371 -4.633 4.196 1.00 0.00 O ATOM 582 CB THR A 38 -8.772 -3.511 2.270 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.694 -3.896 3.280 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.494 -3.410 0.926 1.00 0.00 C ATOM 0 H THR A 38 -8.309 -6.047 3.555 1.00 0.00 H new ATOM 0 HA THR A 38 -7.293 -4.605 1.145 1.00 0.00 H new ATOM 0 HB THR A 38 -8.342 -2.542 2.525 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.278 -4.562 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.288 -2.666 0.994 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.785 -3.114 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.925 -4.378 0.671 1.00 0.00 H new ATOM 592 N LEU A 39 -5.656 -3.280 2.613 1.00 0.00 N ATOM 593 CA LEU A 39 -4.489 -2.824 3.421 1.00 0.00 C ATOM 594 C LEU A 39 -4.253 -1.333 3.142 1.00 0.00 C ATOM 595 O LEU A 39 -3.935 -0.949 2.035 1.00 0.00 O ATOM 596 CB LEU A 39 -3.250 -3.623 2.997 1.00 0.00 C ATOM 597 CG LEU A 39 -1.979 -2.977 3.562 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.667 -3.576 4.930 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.810 -3.248 2.613 1.00 0.00 C ATOM 0 H LEU A 39 -5.727 -2.855 1.688 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.679 -2.978 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.333 -4.650 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.191 -3.666 1.909 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.131 -1.902 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.764 -3.116 5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.500 -3.390 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.514 -4.651 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.096 -2.790 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.661 -4.324 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.031 -2.824 1.634 1.00 0.00 H new ATOM 611 N LEU A 40 -4.383 -0.491 4.132 1.00 0.00 N ATOM 612 CA LEU A 40 -4.140 0.958 3.902 1.00 0.00 C ATOM 613 C LEU A 40 -2.654 1.214 4.115 1.00 0.00 C ATOM 614 O LEU A 40 -2.034 0.624 4.977 1.00 0.00 O ATOM 615 CB LEU A 40 -4.963 1.792 4.889 1.00 0.00 C ATOM 616 CG LEU A 40 -4.434 3.228 4.925 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.742 3.922 3.597 1.00 0.00 C ATOM 618 CD2 LEU A 40 -5.115 3.993 6.063 1.00 0.00 C ATOM 0 H LEU A 40 -4.646 -0.744 5.085 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.436 1.240 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.012 1.789 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.910 1.351 5.884 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.356 3.211 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.365 4.944 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.261 3.380 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.820 3.937 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.739 5.016 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.192 4.006 5.899 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.899 3.502 7.012 1.00 0.00 H new ATOM 630 N ILE A 41 -2.067 2.056 3.321 1.00 0.00 N ATOM 631 CA ILE A 41 -0.610 2.303 3.467 1.00 0.00 C ATOM 632 C ILE A 41 -0.307 3.793 3.350 1.00 0.00 C ATOM 633 O ILE A 41 -0.999 4.528 2.680 1.00 0.00 O ATOM 634 CB ILE A 41 0.111 1.558 2.343 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.545 0.178 2.161 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.598 1.418 2.694 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.419 -0.782 1.462 1.00 0.00 C ATOM 0 H ILE A 41 -2.529 2.583 2.580 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.276 1.955 4.445 1.00 0.00 H new ATOM 0 HB ILE A 41 0.032 2.112 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.831 -0.227 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.459 0.277 1.575 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.112 0.887 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.038 2.408 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.701 0.860 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.060 -1.754 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.684 -0.383 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.321 -0.894 2.064 1.00 0.00 H new ATOM 649 N ILE A 42 0.753 4.239 3.963 1.00 0.00 N ATOM 650 CA ILE A 42 1.134 5.654 3.843 1.00 0.00 C ATOM 651 C ILE A 42 2.576 5.662 3.406 1.00 0.00 C ATOM 652 O ILE A 42 3.267 4.673 3.514 1.00 0.00 O ATOM 653 CB ILE A 42 1.002 6.381 5.169 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.180 5.805 5.945 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.770 7.873 4.897 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.670 6.848 6.938 1.00 0.00 C ATOM 0 H ILE A 42 1.370 3.672 4.544 1.00 0.00 H new ATOM 0 HA ILE A 42 0.482 6.164 3.134 1.00 0.00 H new ATOM 0 HB ILE A 42 1.911 6.255 5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.982 5.529 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.119 4.897 6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.674 8.405 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.614 8.277 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.143 7.999 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.515 6.448 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.136 7.101 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.983 7.743 6.401 1.00 0.00 H new ATOM 668 N ALA A 43 3.039 6.746 2.915 1.00 0.00 N ATOM 669 CA ALA A 43 4.445 6.781 2.469 1.00 0.00 C ATOM 670 C ALA A 43 4.880 8.215 2.293 1.00 0.00 C ATOM 671 O ALA A 43 4.259 8.979 1.595 1.00 0.00 O ATOM 672 CB ALA A 43 4.578 6.040 1.136 1.00 0.00 C ATOM 0 H ALA A 43 2.515 7.613 2.799 1.00 0.00 H new ATOM 0 HA ALA A 43 5.075 6.298 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.617 6.066 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.264 5.004 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.948 6.521 0.388 1.00 0.00 H new ATOM 678 N ASP A 44 5.972 8.577 2.864 1.00 0.00 N ATOM 679 CA ASP A 44 6.459 9.949 2.659 1.00 0.00 C ATOM 680 C ASP A 44 7.609 9.823 1.694 1.00 0.00 C ATOM 681 O ASP A 44 7.924 10.729 0.947 1.00 0.00 O ATOM 682 CB ASP A 44 6.886 10.608 3.979 1.00 0.00 C ATOM 683 CG ASP A 44 8.175 10.000 4.534 1.00 0.00 C ATOM 684 OD1 ASP A 44 9.010 9.579 3.752 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.310 9.978 5.745 1.00 0.00 O ATOM 0 H ASP A 44 6.549 7.987 3.463 1.00 0.00 H new ATOM 0 HA ASP A 44 5.676 10.597 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.029 11.677 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.088 10.498 4.713 1.00 0.00 H new ATOM 690 N ASP A 45 8.212 8.662 1.665 1.00 0.00 N ATOM 691 CA ASP A 45 9.304 8.449 0.701 1.00 0.00 C ATOM 692 C ASP A 45 8.715 8.613 -0.709 1.00 0.00 C ATOM 693 O ASP A 45 7.593 8.217 -0.952 1.00 0.00 O ATOM 694 CB ASP A 45 9.840 7.052 0.925 1.00 0.00 C ATOM 695 CG ASP A 45 10.501 6.503 -0.341 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.647 6.841 -0.582 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.853 5.746 -1.041 1.00 0.00 O ATOM 0 H ASP A 45 7.991 7.867 2.265 1.00 0.00 H new ATOM 0 HA ASP A 45 10.121 9.161 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.563 7.064 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.027 6.392 1.229 1.00 0.00 H new ATOM 702 N PRO A 46 9.468 9.221 -1.586 1.00 0.00 N ATOM 703 CA PRO A 46 9.022 9.485 -2.966 1.00 0.00 C ATOM 704 C PRO A 46 9.109 8.215 -3.804 1.00 0.00 C ATOM 705 O PRO A 46 8.514 8.102 -4.857 1.00 0.00 O ATOM 706 CB PRO A 46 10.013 10.537 -3.466 1.00 0.00 C ATOM 707 CG PRO A 46 11.274 10.408 -2.578 1.00 0.00 C ATOM 708 CD PRO A 46 10.835 9.687 -1.290 1.00 0.00 C ATOM 0 HA PRO A 46 7.986 9.819 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.258 10.371 -4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.587 11.538 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.053 9.844 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.689 11.390 -2.350 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.498 8.854 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.850 10.359 -0.432 1.00 0.00 H new ATOM 716 N ALA A 47 9.854 7.266 -3.339 1.00 0.00 N ATOM 717 CA ALA A 47 10.003 5.989 -4.097 1.00 0.00 C ATOM 718 C ALA A 47 8.938 4.986 -3.652 1.00 0.00 C ATOM 719 O ALA A 47 8.847 3.895 -4.177 1.00 0.00 O ATOM 720 CB ALA A 47 11.393 5.402 -3.846 1.00 0.00 C ATOM 0 H ALA A 47 10.373 7.312 -2.462 1.00 0.00 H new ATOM 0 HA ALA A 47 9.879 6.192 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.500 4.470 -4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.152 6.110 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.519 5.207 -2.781 1.00 0.00 H new ATOM 726 N THR A 48 8.134 5.336 -2.688 1.00 0.00 N ATOM 727 CA THR A 48 7.085 4.388 -2.220 1.00 0.00 C ATOM 728 C THR A 48 5.825 4.564 -3.065 1.00 0.00 C ATOM 729 O THR A 48 5.159 3.612 -3.413 1.00 0.00 O ATOM 730 CB THR A 48 6.758 4.669 -0.753 1.00 0.00 C ATOM 731 OG1 THR A 48 6.735 6.075 -0.536 1.00 0.00 O ATOM 732 CG2 THR A 48 7.821 4.026 0.135 1.00 0.00 C ATOM 0 H THR A 48 8.157 6.234 -2.205 1.00 0.00 H new ATOM 0 HA THR A 48 7.450 3.366 -2.320 1.00 0.00 H new ATOM 0 HB THR A 48 5.782 4.250 -0.507 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.653 6.417 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.590 4.225 1.181 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.835 2.949 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.798 4.444 -0.107 1.00 0.00 H new ATOM 740 N THR A 49 5.491 5.775 -3.405 1.00 0.00 N ATOM 741 CA THR A 49 4.272 5.992 -4.235 1.00 0.00 C ATOM 742 C THR A 49 4.424 5.203 -5.526 1.00 0.00 C ATOM 743 O THR A 49 3.460 4.759 -6.118 1.00 0.00 O ATOM 744 CB THR A 49 4.116 7.474 -4.594 1.00 0.00 C ATOM 745 OG1 THR A 49 4.778 7.730 -5.826 1.00 0.00 O ATOM 746 CG2 THR A 49 4.731 8.347 -3.505 1.00 0.00 C ATOM 0 H THR A 49 6.003 6.619 -3.148 1.00 0.00 H new ATOM 0 HA THR A 49 3.397 5.668 -3.671 1.00 0.00 H new ATOM 0 HB THR A 49 3.055 7.708 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.679 8.676 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.614 9.397 -3.771 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.228 8.155 -2.557 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.791 8.114 -3.407 1.00 0.00 H new ATOM 754 N ARG A 50 5.631 5.057 -5.983 1.00 0.00 N ATOM 755 CA ARG A 50 5.854 4.325 -7.264 1.00 0.00 C ATOM 756 C ARG A 50 6.223 2.858 -7.029 1.00 0.00 C ATOM 757 O ARG A 50 5.866 1.992 -7.804 1.00 0.00 O ATOM 758 CB ARG A 50 6.993 5.001 -8.022 1.00 0.00 C ATOM 759 CG ARG A 50 6.482 6.286 -8.677 1.00 0.00 C ATOM 760 CD ARG A 50 7.671 7.146 -9.112 1.00 0.00 C ATOM 761 NE ARG A 50 7.675 7.273 -10.597 1.00 0.00 N ATOM 762 CZ ARG A 50 8.784 7.565 -11.223 1.00 0.00 C ATOM 763 NH1 ARG A 50 9.204 8.800 -11.263 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.471 6.622 -11.807 1.00 0.00 N ATOM 0 H ARG A 50 6.474 5.410 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 50 4.926 4.352 -7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.812 5.229 -7.340 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.389 4.326 -8.781 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.860 6.045 -9.539 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.856 6.839 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.608 8.132 -8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.603 6.695 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 50 6.813 7.132 -11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.667 9.537 -10.806 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.070 9.029 -11.752 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.142 5.657 -11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.337 6.850 -12.296 1.00 0.00 H new ATOM 778 N ASP A 51 6.974 2.573 -6.010 1.00 0.00 N ATOM 779 CA ASP A 51 7.410 1.162 -5.782 1.00 0.00 C ATOM 780 C ASP A 51 6.422 0.373 -4.915 1.00 0.00 C ATOM 781 O ASP A 51 6.110 -0.761 -5.210 1.00 0.00 O ATOM 782 CB ASP A 51 8.774 1.174 -5.092 1.00 0.00 C ATOM 783 CG ASP A 51 9.800 1.852 -6.001 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.395 2.659 -6.822 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.974 1.552 -5.863 1.00 0.00 O ATOM 0 H ASP A 51 7.308 3.249 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 51 7.459 0.670 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.708 1.704 -4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.089 0.155 -4.867 1.00 0.00 H new ATOM 790 N ILE A 52 5.955 0.932 -3.840 1.00 0.00 N ATOM 791 CA ILE A 52 5.022 0.164 -2.960 1.00 0.00 C ATOM 792 C ILE A 52 3.845 -0.386 -3.763 1.00 0.00 C ATOM 793 O ILE A 52 3.549 -1.561 -3.680 1.00 0.00 O ATOM 794 CB ILE A 52 4.530 1.062 -1.814 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.475 0.911 -0.625 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.109 0.670 -1.383 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.850 1.569 0.604 1.00 0.00 C ATOM 0 H ILE A 52 6.173 1.879 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 52 5.559 -0.685 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 52 4.515 2.096 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.666 -0.144 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.437 1.373 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.783 1.320 -0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.430 0.777 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.105 -0.366 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.523 1.463 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.682 2.627 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.899 1.087 0.831 1.00 0.00 H new ATOM 809 N PRO A 53 3.207 0.458 -4.513 1.00 0.00 N ATOM 810 CA PRO A 53 2.065 0.040 -5.323 1.00 0.00 C ATOM 811 C PRO A 53 2.542 -0.790 -6.491 1.00 0.00 C ATOM 812 O PRO A 53 2.059 -1.871 -6.722 1.00 0.00 O ATOM 813 CB PRO A 53 1.435 1.342 -5.775 1.00 0.00 C ATOM 814 CG PRO A 53 2.524 2.430 -5.642 1.00 0.00 C ATOM 815 CD PRO A 53 3.561 1.886 -4.644 1.00 0.00 C ATOM 0 HA PRO A 53 1.352 -0.583 -4.782 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.087 1.267 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.567 1.586 -5.162 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.986 2.638 -6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.096 3.367 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.578 2.014 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.503 2.402 -3.686 1.00 0.00 H new ATOM 823 N GLY A 54 3.503 -0.318 -7.220 1.00 0.00 N ATOM 824 CA GLY A 54 4.004 -1.134 -8.351 1.00 0.00 C ATOM 825 C GLY A 54 4.273 -2.540 -7.831 1.00 0.00 C ATOM 826 O GLY A 54 4.235 -3.506 -8.568 1.00 0.00 O ATOM 0 H GLY A 54 3.959 0.584 -7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.271 -1.159 -9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.915 -0.698 -8.762 1.00 0.00 H new ATOM 830 N PHE A 55 4.519 -2.669 -6.553 1.00 0.00 N ATOM 831 CA PHE A 55 4.759 -4.018 -5.989 1.00 0.00 C ATOM 832 C PHE A 55 3.415 -4.746 -5.854 1.00 0.00 C ATOM 833 O PHE A 55 3.249 -5.847 -6.342 1.00 0.00 O ATOM 834 CB PHE A 55 5.441 -3.887 -4.616 1.00 0.00 C ATOM 835 CG PHE A 55 5.032 -5.028 -3.708 1.00 0.00 C ATOM 836 CD1 PHE A 55 4.956 -6.337 -4.203 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.707 -4.770 -2.377 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.555 -7.379 -3.367 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.310 -5.816 -1.543 1.00 0.00 C ATOM 840 CZ PHE A 55 4.231 -7.119 -2.037 1.00 0.00 C ATOM 0 H PHE A 55 4.563 -1.900 -5.884 1.00 0.00 H new ATOM 0 HA PHE A 55 5.412 -4.590 -6.648 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.524 -3.884 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.170 -2.936 -4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.208 -6.539 -5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.762 -3.762 -1.992 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.496 -8.387 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.063 -5.616 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.919 -7.925 -1.389 1.00 0.00 H new ATOM 850 N CYS A 56 2.460 -4.158 -5.184 1.00 0.00 N ATOM 851 CA CYS A 56 1.154 -4.850 -5.018 1.00 0.00 C ATOM 852 C CYS A 56 0.591 -5.245 -6.377 1.00 0.00 C ATOM 853 O CYS A 56 -0.010 -6.281 -6.524 1.00 0.00 O ATOM 854 CB CYS A 56 0.179 -3.915 -4.317 1.00 0.00 C ATOM 855 SG CYS A 56 0.530 -3.928 -2.542 1.00 0.00 S ATOM 0 H CYS A 56 2.528 -3.238 -4.749 1.00 0.00 H new ATOM 0 HA CYS A 56 1.299 -5.751 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.275 -2.904 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.847 -4.233 -4.501 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.318 -4.706 -1.938 1.00 0.00 H new ATOM 861 N THR A 57 0.775 -4.432 -7.368 1.00 0.00 N ATOM 862 CA THR A 57 0.235 -4.774 -8.713 1.00 0.00 C ATOM 863 C THR A 57 0.991 -5.972 -9.292 1.00 0.00 C ATOM 864 O THR A 57 0.450 -6.756 -10.045 1.00 0.00 O ATOM 865 CB THR A 57 0.410 -3.578 -9.644 1.00 0.00 C ATOM 866 OG1 THR A 57 -0.172 -2.426 -9.050 1.00 0.00 O ATOM 867 CG2 THR A 57 -0.273 -3.870 -10.979 1.00 0.00 C ATOM 0 H THR A 57 1.275 -3.545 -7.311 1.00 0.00 H new ATOM 0 HA THR A 57 -0.822 -5.025 -8.620 1.00 0.00 H new ATOM 0 HB THR A 57 1.472 -3.399 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.422 -2.084 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.149 -3.016 -11.645 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.177 -4.753 -11.433 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.335 -4.049 -10.813 1.00 0.00 H new ATOM 875 N PHE A 58 2.244 -6.100 -8.967 1.00 0.00 N ATOM 876 CA PHE A 58 3.051 -7.227 -9.520 1.00 0.00 C ATOM 877 C PHE A 58 2.701 -8.557 -8.832 1.00 0.00 C ATOM 878 O PHE A 58 2.831 -9.611 -9.421 1.00 0.00 O ATOM 879 CB PHE A 58 4.537 -6.928 -9.310 1.00 0.00 C ATOM 880 CG PHE A 58 5.340 -7.560 -10.421 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.412 -8.954 -10.528 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.012 -6.750 -11.345 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.156 -9.538 -11.560 1.00 0.00 C ATOM 884 CE2 PHE A 58 6.756 -7.335 -12.376 1.00 0.00 C ATOM 885 CZ PHE A 58 6.828 -8.729 -12.484 1.00 0.00 C ATOM 0 H PHE A 58 2.749 -5.473 -8.341 1.00 0.00 H new ATOM 0 HA PHE A 58 2.826 -7.322 -10.582 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.703 -5.851 -9.294 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.864 -7.315 -8.345 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.894 -9.578 -9.815 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.956 -5.675 -11.262 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.212 -10.613 -11.643 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.275 -6.711 -13.089 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.402 -9.180 -13.280 1.00 0.00 H new ATOM 895 N MET A 59 2.280 -8.533 -7.594 1.00 0.00 N ATOM 896 CA MET A 59 1.959 -9.822 -6.905 1.00 0.00 C ATOM 897 C MET A 59 0.503 -10.235 -7.138 1.00 0.00 C ATOM 898 O MET A 59 0.050 -11.222 -6.598 1.00 0.00 O ATOM 899 CB MET A 59 2.213 -9.692 -5.410 1.00 0.00 C ATOM 900 CG MET A 59 3.644 -10.130 -5.085 1.00 0.00 C ATOM 901 SD MET A 59 3.884 -11.854 -5.584 1.00 0.00 S ATOM 902 CE MET A 59 5.193 -11.561 -6.797 1.00 0.00 C ATOM 0 H MET A 59 2.145 -7.690 -7.035 1.00 0.00 H new ATOM 0 HA MET A 59 2.606 -10.592 -7.325 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.059 -8.660 -5.094 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.501 -10.305 -4.857 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.357 -9.489 -5.603 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.834 -10.021 -4.017 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.326 -12.452 -7.411 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.918 -10.720 -7.433 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.125 -11.335 -6.279 1.00 0.00 H new ATOM 912 N GLU A 60 -0.221 -9.499 -7.942 1.00 0.00 N ATOM 913 CA GLU A 60 -1.652 -9.851 -8.232 1.00 0.00 C ATOM 914 C GLU A 60 -2.582 -9.202 -7.197 1.00 0.00 C ATOM 915 O GLU A 60 -3.699 -9.634 -6.993 1.00 0.00 O ATOM 916 CB GLU A 60 -1.834 -11.384 -8.251 1.00 0.00 C ATOM 917 CG GLU A 60 -2.379 -11.895 -6.909 1.00 0.00 C ATOM 918 CD GLU A 60 -1.803 -13.283 -6.623 1.00 0.00 C ATOM 919 OE1 GLU A 60 -2.045 -14.177 -7.417 1.00 0.00 O ATOM 920 OE2 GLU A 60 -1.135 -13.428 -5.614 1.00 0.00 O ATOM 0 H GLU A 60 0.117 -8.661 -8.416 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.916 -9.464 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.517 -11.662 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.879 -11.864 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.111 -11.206 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.468 -11.940 -6.939 1.00 0.00 H new ATOM 927 N HIS A 61 -2.134 -8.161 -6.559 1.00 0.00 N ATOM 928 CA HIS A 61 -2.978 -7.468 -5.559 1.00 0.00 C ATOM 929 C HIS A 61 -3.654 -6.286 -6.251 1.00 0.00 C ATOM 930 O HIS A 61 -3.381 -6.002 -7.400 1.00 0.00 O ATOM 931 CB HIS A 61 -2.092 -6.965 -4.423 1.00 0.00 C ATOM 932 CG HIS A 61 -1.232 -8.093 -3.928 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.434 -9.404 -4.329 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.161 -8.124 -3.070 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.506 -10.161 -3.720 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.297 -9.432 -2.940 1.00 0.00 N ATOM 0 H HIS A 61 -1.207 -7.758 -6.691 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.730 -8.143 -5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.468 -6.142 -4.770 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.707 -6.578 -3.611 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.156 -9.734 -4.970 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.262 -7.264 -2.572 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.420 -11.230 -3.846 1.00 0.00 H new ATOM 944 N GLU A 62 -4.544 -5.600 -5.590 1.00 0.00 N ATOM 945 CA GLU A 62 -5.221 -4.464 -6.269 1.00 0.00 C ATOM 946 C GLU A 62 -5.038 -3.167 -5.496 1.00 0.00 C ATOM 947 O GLU A 62 -5.128 -3.128 -4.290 1.00 0.00 O ATOM 948 CB GLU A 62 -6.714 -4.750 -6.366 1.00 0.00 C ATOM 949 CG GLU A 62 -7.018 -5.474 -7.680 1.00 0.00 C ATOM 950 CD GLU A 62 -8.283 -6.319 -7.518 1.00 0.00 C ATOM 951 OE1 GLU A 62 -8.763 -6.424 -6.402 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.749 -6.847 -8.514 1.00 0.00 O ATOM 0 H GLU A 62 -4.828 -5.773 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.777 -4.355 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.032 -5.361 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.276 -3.818 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.152 -4.750 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.178 -6.109 -7.960 1.00 0.00 H new ATOM 959 N LEU A 63 -4.854 -2.098 -6.205 1.00 0.00 N ATOM 960 CA LEU A 63 -4.739 -0.767 -5.552 1.00 0.00 C ATOM 961 C LEU A 63 -6.173 -0.292 -5.351 1.00 0.00 C ATOM 962 O LEU A 63 -6.829 0.123 -6.285 1.00 0.00 O ATOM 963 CB LEU A 63 -3.964 0.193 -6.473 1.00 0.00 C ATOM 964 CG LEU A 63 -4.386 1.650 -6.230 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.804 2.145 -4.905 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.856 2.524 -7.369 1.00 0.00 C ATOM 0 H LEU A 63 -4.777 -2.086 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.201 -0.809 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.894 0.087 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.144 -0.072 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.474 1.708 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.107 3.179 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.174 1.523 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.716 2.087 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.153 3.559 -7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.768 2.459 -7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.269 2.177 -8.316 1.00 0.00 H new ATOM 978 N VAL A 64 -6.696 -0.399 -4.163 1.00 0.00 N ATOM 979 CA VAL A 64 -8.092 -0.013 -3.958 1.00 0.00 C ATOM 980 C VAL A 64 -8.249 1.516 -4.019 1.00 0.00 C ATOM 981 O VAL A 64 -9.096 2.014 -4.732 1.00 0.00 O ATOM 982 CB VAL A 64 -8.523 -0.602 -2.624 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.904 -0.114 -2.281 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.571 -2.123 -2.745 1.00 0.00 C ATOM 0 H VAL A 64 -6.207 -0.738 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.736 -0.401 -4.747 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.816 -0.300 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.212 -0.537 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.899 0.974 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.603 -0.425 -3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.879 -2.554 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.285 -2.404 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.583 -2.498 -3.010 1.00 0.00 H new ATOM 994 N ALA A 65 -7.451 2.279 -3.311 1.00 0.00 N ATOM 995 CA ALA A 65 -7.617 3.768 -3.410 1.00 0.00 C ATOM 996 C ALA A 65 -6.262 4.477 -3.262 1.00 0.00 C ATOM 997 O ALA A 65 -5.519 4.219 -2.367 1.00 0.00 O ATOM 998 CB ALA A 65 -8.559 4.245 -2.303 1.00 0.00 C ATOM 0 H ALA A 65 -6.714 1.952 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.033 4.009 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.682 5.326 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.529 3.761 -2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.138 3.988 -1.331 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.913 5.371 -4.127 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.604 6.036 -3.959 1.00 0.00 C ATOM 1006 C LYS A 66 -4.775 7.391 -3.296 1.00 0.00 C ATOM 1007 O LYS A 66 -5.843 7.968 -3.269 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.968 6.241 -5.311 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.365 5.098 -6.215 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.620 5.466 -7.008 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.256 5.652 -8.481 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.489 5.949 -9.263 1.00 0.00 N ATOM 0 H LYS A 66 -6.465 5.668 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.974 5.404 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.290 7.190 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.883 6.287 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.549 4.865 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.550 4.202 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.371 4.683 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.058 6.382 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.539 6.466 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.777 4.751 -8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.242 6.076 -10.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.159 5.159 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.928 6.820 -8.902 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.707 7.895 -2.770 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.745 9.215 -2.105 1.00 0.00 C ATOM 1028 C GLU A 67 -2.491 10.013 -2.467 1.00 0.00 C ATOM 1029 O GLU A 67 -1.390 9.680 -2.075 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.807 9.007 -0.607 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.266 8.968 -0.150 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.533 10.131 0.807 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.838 11.128 0.703 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.426 10.004 1.628 1.00 0.00 O ATOM 0 H GLU A 67 -2.793 7.442 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.623 9.770 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.307 8.076 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.278 9.812 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.930 9.033 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.478 8.020 0.345 1.00 0.00 H new ATOM 1041 N THR A 68 -2.652 11.067 -3.212 1.00 0.00 N ATOM 1042 CA THR A 68 -1.485 11.903 -3.606 1.00 0.00 C ATOM 1043 C THR A 68 -1.876 13.371 -3.453 1.00 0.00 C ATOM 1044 O THR A 68 -1.430 14.227 -4.191 1.00 0.00 O ATOM 1045 CB THR A 68 -1.123 11.615 -5.066 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.138 12.134 -5.913 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.004 10.105 -5.273 1.00 0.00 C ATOM 0 H THR A 68 -3.551 11.390 -3.569 1.00 0.00 H new ATOM 0 HA THR A 68 -0.625 11.676 -2.976 1.00 0.00 H new ATOM 0 HB THR A 68 -0.171 12.088 -5.307 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.908 11.953 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.746 9.899 -6.312 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.226 9.709 -4.621 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.955 9.629 -5.034 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.717 13.663 -2.498 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.154 15.075 -2.292 1.00 0.00 C ATOM 1057 C ASP A 69 -2.074 15.852 -1.546 1.00 0.00 C ATOM 1058 O ASP A 69 -2.247 17.000 -1.188 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.443 15.091 -1.477 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.533 14.324 -2.227 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -6.027 14.847 -3.212 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -5.854 13.225 -1.805 1.00 0.00 O ATOM 0 H ASP A 69 -3.121 12.985 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.325 15.542 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.273 14.639 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.762 16.119 -1.302 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.965 15.230 -1.313 1.00 0.00 N ATOM 1068 CA GLY A 70 0.139 15.891 -0.600 1.00 0.00 C ATOM 1069 C GLY A 70 0.650 14.967 0.483 1.00 0.00 C ATOM 1070 O GLY A 70 -0.087 14.465 1.307 1.00 0.00 O ATOM 0 H GLY A 70 -0.776 14.268 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.942 16.137 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.203 16.829 -0.164 1.00 0.00 H new ATOM 1074 N LEU A 71 1.911 14.741 0.452 1.00 0.00 N ATOM 1075 CA LEU A 71 2.562 13.842 1.440 1.00 0.00 C ATOM 1076 C LEU A 71 1.892 13.966 2.818 1.00 0.00 C ATOM 1077 O LEU A 71 1.442 15.028 3.203 1.00 0.00 O ATOM 1078 CB LEU A 71 4.038 14.209 1.577 1.00 0.00 C ATOM 1079 CG LEU A 71 4.749 13.981 0.255 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.892 14.986 0.105 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.316 12.560 0.228 1.00 0.00 C ATOM 0 H LEU A 71 2.548 15.148 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 71 2.459 12.817 1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.136 15.252 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.501 13.606 2.358 1.00 0.00 H new ATOM 0 HG LEU A 71 4.043 14.113 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.400 14.820 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.491 15.999 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.600 14.856 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.828 12.390 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.021 12.434 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.503 11.842 0.335 1.00 0.00 H new ATOM 1093 N PRO A 72 1.874 12.860 3.516 1.00 0.00 N ATOM 1094 CA PRO A 72 2.429 11.605 3.005 1.00 0.00 C ATOM 1095 C PRO A 72 1.400 10.949 2.088 1.00 0.00 C ATOM 1096 O PRO A 72 0.207 11.066 2.285 1.00 0.00 O ATOM 1097 CB PRO A 72 2.625 10.752 4.242 1.00 0.00 C ATOM 1098 CG PRO A 72 1.627 11.300 5.280 1.00 0.00 C ATOM 1099 CD PRO A 72 1.313 12.757 4.872 1.00 0.00 C ATOM 0 HA PRO A 72 3.352 11.740 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.432 9.701 4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.649 10.820 4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.718 10.699 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.053 11.263 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.241 12.954 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.773 13.473 5.553 1.00 0.00 H new ATOM 1107 N TYR A 73 1.854 10.260 1.100 1.00 0.00 N ATOM 1108 CA TYR A 73 0.921 9.582 0.165 1.00 0.00 C ATOM 1109 C TYR A 73 0.242 8.414 0.857 1.00 0.00 C ATOM 1110 O TYR A 73 0.724 7.909 1.845 1.00 0.00 O ATOM 1111 CB TYR A 73 1.683 8.980 -0.989 1.00 0.00 C ATOM 1112 CG TYR A 73 2.783 9.880 -1.440 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.510 10.996 -2.231 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.085 9.551 -1.106 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.561 11.798 -2.680 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.145 10.333 -1.559 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.886 11.466 -2.348 1.00 0.00 C ATOM 1118 OH TYR A 73 5.930 12.247 -2.802 1.00 0.00 O ATOM 0 H TYR A 73 2.844 10.131 0.890 1.00 0.00 H new ATOM 0 HA TYR A 73 0.201 10.329 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.097 8.017 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.002 8.791 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.491 11.238 -2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.280 8.684 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.356 12.672 -3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.161 10.070 -1.305 1.00 0.00 H new ATOM 0 HH TYR A 73 6.771 11.925 -2.416 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.833 7.928 0.308 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.474 6.749 0.902 1.00 0.00 C ATOM 1130 C ARG A 74 -2.045 5.927 -0.215 1.00 0.00 C ATOM 1131 O ARG A 74 -2.386 6.427 -1.253 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.567 7.152 1.868 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.935 7.504 3.197 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.775 8.572 3.901 1.00 0.00 C ATOM 1135 NE ARG A 74 -1.882 9.531 4.607 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.271 10.079 5.726 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.526 10.394 5.896 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -1.407 10.309 6.676 1.00 0.00 N ATOM 0 H ARG A 74 -1.288 8.302 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.739 6.174 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.122 8.004 1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.280 6.337 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.862 6.614 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.920 7.870 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.390 9.102 3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.455 8.103 4.612 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.968 9.760 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.202 10.212 5.155 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.830 10.822 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.426 10.061 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.712 10.737 7.550 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.144 4.670 -0.016 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.677 3.812 -1.083 1.00 0.00 C ATOM 1154 C TYR A 75 -3.331 2.604 -0.462 1.00 0.00 C ATOM 1155 O TYR A 75 -2.699 1.854 0.255 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.560 3.330 -1.988 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.445 4.337 -2.038 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.574 5.524 -2.761 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.734 4.046 -1.386 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.500 6.419 -2.834 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.812 4.938 -1.439 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.696 6.126 -2.170 1.00 0.00 C ATOM 1163 OH TYR A 75 2.762 7.000 -2.248 1.00 0.00 O ATOM 0 H TYR A 75 -1.879 4.189 0.843 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.394 4.389 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.178 2.375 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.947 3.159 -2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.502 5.752 -3.264 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.827 3.124 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.406 7.333 -3.401 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.730 4.710 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 75 3.514 6.646 -1.729 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.566 2.367 -0.745 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.173 1.184 -0.182 1.00 0.00 C ATOM 1175 C LEU A 76 -4.905 0.063 -1.163 1.00 0.00 C ATOM 1176 O LEU A 76 -4.796 0.305 -2.347 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.672 1.320 -0.057 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.207 0.020 0.512 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.951 -0.027 2.013 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.686 -0.059 0.223 1.00 0.00 C ATOM 0 H LEU A 76 -5.165 2.943 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.762 1.008 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.927 2.156 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.120 1.525 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.703 -0.830 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.337 -0.962 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.879 0.036 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.454 0.812 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.086 -0.989 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.193 0.786 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.848 -0.031 -0.855 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.806 -1.145 -0.729 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.560 -2.213 -1.706 1.00 0.00 C ATOM 1194 C ILE A 77 -5.309 -3.476 -1.304 1.00 0.00 C ATOM 1195 O ILE A 77 -4.964 -4.131 -0.340 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.064 -2.473 -1.747 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.350 -1.129 -1.937 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.738 -3.427 -2.900 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.923 -1.344 -2.445 1.00 0.00 C ATOM 0 H ILE A 77 -4.883 -1.437 0.245 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.916 -1.914 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.729 -2.937 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.905 -0.513 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.327 -0.586 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.664 -3.612 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.265 -4.370 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.053 -2.979 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.433 -0.379 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.366 -1.940 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.952 -1.866 -3.401 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.331 -3.834 -2.035 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.077 -5.067 -1.672 1.00 0.00 C ATOM 1213 C ARG A 78 -6.200 -6.280 -1.996 1.00 0.00 C ATOM 1214 O ARG A 78 -5.992 -6.620 -3.143 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.375 -5.143 -2.480 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.047 -6.497 -2.241 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.086 -6.752 -3.336 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.312 -7.342 -2.727 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.180 -6.572 -2.131 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.009 -6.246 -0.878 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -13.218 -6.127 -2.784 1.00 0.00 N ATOM 0 H ARG A 78 -6.675 -3.333 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.322 -5.054 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.046 -4.335 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.163 -5.012 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.300 -7.291 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.525 -6.510 -1.261 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.332 -5.819 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.679 -7.427 -4.089 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.472 -8.348 -2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.198 -6.593 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.687 -5.644 -0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.352 -6.381 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.895 -5.525 -2.316 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.684 -6.934 -0.987 1.00 0.00 N ATOM 1236 CA LYS A 79 -4.818 -8.122 -1.229 1.00 0.00 C ATOM 1237 C LYS A 79 -5.611 -9.135 -2.034 1.00 0.00 C ATOM 1238 O LYS A 79 -6.745 -9.421 -1.719 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.408 -8.740 0.107 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.158 -9.600 -0.092 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.528 -10.866 -0.867 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.572 -11.997 -0.485 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.900 -13.212 -1.281 1.00 0.00 N ATOM 0 H LYS A 79 -5.826 -6.695 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.921 -7.827 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.210 -7.956 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.221 -9.348 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.399 -9.037 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.728 -9.865 0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.556 -11.154 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.475 -10.677 -1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.541 -11.695 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.654 -12.213 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.023 -13.719 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.520 -13.835 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.386 -12.932 -2.157 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.029 -9.667 -3.073 1.00 0.00 N ATOM 1258 CA GLY A 80 -5.755 -10.659 -3.911 1.00 0.00 C ATOM 1259 C GLY A 80 -4.807 -11.794 -4.292 1.00 0.00 C ATOM 1260 O GLY A 80 -3.695 -11.879 -3.809 1.00 0.00 O ATOM 0 H GLY A 80 -4.079 -9.456 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.612 -11.054 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.143 -10.178 -4.809 1.00 0.00 H new ATOM 1264 N GLY A 81 -5.238 -12.671 -5.152 1.00 0.00 N ATOM 1265 CA GLY A 81 -4.362 -13.803 -5.561 1.00 0.00 C ATOM 1266 C GLY A 81 -5.040 -15.128 -5.208 1.00 0.00 C ATOM 1267 O GLY A 81 -4.733 -15.664 -4.155 1.00 0.00 O ATOM 1268 OXT GLY A 81 -5.852 -15.584 -5.994 1.00 0.00 O ATOM 0 H GLY A 81 -6.159 -12.654 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.167 -13.757 -6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.398 -13.731 -5.058 1.00 0.00 H new TER 1272 GLY A 81