USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 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 Set 1.1: A 61 HIS : no HE2:sc= -13.1! C(o=-13!,f=-21!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -154:sc= -0.0405 (180deg=0) USER MOD Set 2.1: A 6 SER OG : rot 180:sc= -0.691 USER MOD Set 2.2: A 7 SER OG : rot 52:sc= 0.0502 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.313 (180deg=-2.03!) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.053 (180deg=-1.54!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 10 HIS : no HD1:sc= -3.61! K(o=-3.6!,f=-1.5) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0293 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.27! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0891) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.49! C(o=-7.5!,f=-17!) USER MOD Single : A 33 MET CE :methyl -165:sc= -11.9! (180deg=-13.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 48 THR OG1 : rot -71:sc= -5.81! USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00463 USER MOD Single : A 56 CYS SG : rot -99:sc= -14.6! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 70:sc= 0.605 USER MOD Single : A 73 TYR OH : rot 178:sc= -0.11 USER MOD Single : A 75 TYR OH : rot 176:sc= -11! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.198 11.640 -4.900 1.00 0.00 N ATOM 2 CA MET A 1 -15.275 10.511 -4.592 1.00 0.00 C ATOM 3 C MET A 1 -15.898 9.622 -3.514 1.00 0.00 C ATOM 4 O MET A 1 -16.710 10.062 -2.725 1.00 0.00 O ATOM 5 CB MET A 1 -13.942 11.067 -4.087 1.00 0.00 C ATOM 6 CG MET A 1 -14.203 12.170 -3.061 1.00 0.00 C ATOM 7 SD MET A 1 -13.772 13.776 -3.776 1.00 0.00 S ATOM 8 CE MET A 1 -12.023 13.424 -4.082 1.00 0.00 C ATOM 0 H1 MET A 1 -15.646 12.509 -5.048 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.738 11.422 -5.762 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.855 11.778 -4.105 1.00 0.00 H new ATOM 0 HA MET A 1 -15.106 9.923 -5.494 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.351 10.270 -3.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.362 11.462 -4.921 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.251 12.163 -2.763 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.614 11.991 -2.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.431 14.315 -3.873 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.697 12.610 -3.434 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.887 13.135 -5.124 1.00 0.00 H new ATOM 20 N THR A 2 -15.524 8.372 -3.475 1.00 0.00 N ATOM 21 CA THR A 2 -16.094 7.456 -2.448 1.00 0.00 C ATOM 22 C THR A 2 -15.032 7.152 -1.390 1.00 0.00 C ATOM 23 O THR A 2 -13.851 7.322 -1.615 1.00 0.00 O ATOM 24 CB THR A 2 -16.535 6.151 -3.116 1.00 0.00 C ATOM 25 OG1 THR A 2 -15.752 5.929 -4.281 1.00 0.00 O ATOM 26 CG2 THR A 2 -18.012 6.244 -3.502 1.00 0.00 C ATOM 0 H THR A 2 -14.849 7.946 -4.110 1.00 0.00 H new ATOM 0 HA THR A 2 -16.953 7.931 -1.975 1.00 0.00 H new ATOM 0 HB THR A 2 -16.396 5.323 -2.421 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.032 5.093 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.323 5.314 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 2 -18.612 6.413 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.155 7.072 -4.197 1.00 0.00 H new ATOM 34 N ASP A 3 -15.444 6.702 -0.235 1.00 0.00 N ATOM 35 CA ASP A 3 -14.456 6.386 0.835 1.00 0.00 C ATOM 36 C ASP A 3 -14.012 4.928 0.706 1.00 0.00 C ATOM 37 O ASP A 3 -14.673 4.023 1.176 1.00 0.00 O ATOM 38 CB ASP A 3 -15.103 6.602 2.205 1.00 0.00 C ATOM 39 CG ASP A 3 -15.927 7.891 2.185 1.00 0.00 C ATOM 40 OD1 ASP A 3 -15.328 8.953 2.148 1.00 0.00 O ATOM 41 OD2 ASP A 3 -17.142 7.793 2.208 1.00 0.00 O ATOM 0 H ASP A 3 -16.420 6.540 0.013 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.590 7.040 0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.741 5.754 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.335 6.661 2.976 1.00 0.00 H new ATOM 46 N LEU A 4 -12.893 4.692 0.075 1.00 0.00 N ATOM 47 CA LEU A 4 -12.407 3.292 -0.081 1.00 0.00 C ATOM 48 C LEU A 4 -11.347 3.003 0.985 1.00 0.00 C ATOM 49 O LEU A 4 -10.956 1.873 1.195 1.00 0.00 O ATOM 50 CB LEU A 4 -11.793 3.118 -1.472 1.00 0.00 C ATOM 51 CG LEU A 4 -12.904 2.878 -2.495 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.350 3.080 -3.907 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.426 1.446 -2.353 1.00 0.00 C ATOM 0 H LEU A 4 -12.296 5.408 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.241 2.600 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.221 4.006 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.097 2.279 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.718 3.582 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.142 2.909 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.977 4.099 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.536 2.376 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.218 1.274 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.612 0.743 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.820 1.301 -1.347 1.00 0.00 H new ATOM 65 N PHE A 5 -10.881 4.019 1.657 1.00 0.00 N ATOM 66 CA PHE A 5 -9.849 3.810 2.709 1.00 0.00 C ATOM 67 C PHE A 5 -10.532 3.478 4.037 1.00 0.00 C ATOM 68 O PHE A 5 -9.930 3.559 5.089 1.00 0.00 O ATOM 69 CB PHE A 5 -9.021 5.083 2.872 1.00 0.00 C ATOM 70 CG PHE A 5 -7.841 5.056 1.928 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.856 4.243 0.789 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.730 5.857 2.187 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.755 4.237 -0.081 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.644 5.851 1.307 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.650 5.046 0.178 1.00 0.00 C ATOM 0 H PHE A 5 -11.172 4.987 1.522 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.198 2.986 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.639 5.957 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.672 5.171 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.714 3.621 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.708 6.482 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.764 3.603 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.790 6.481 1.509 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.805 5.046 -0.495 1.00 0.00 H new ATOM 85 N SER A 6 -11.787 3.114 3.997 1.00 0.00 N ATOM 86 CA SER A 6 -12.509 2.778 5.257 1.00 0.00 C ATOM 87 C SER A 6 -11.631 1.872 6.119 1.00 0.00 C ATOM 88 O SER A 6 -10.569 1.450 5.708 1.00 0.00 O ATOM 89 CB SER A 6 -13.809 2.051 4.920 1.00 0.00 C ATOM 90 OG SER A 6 -14.285 1.378 6.078 1.00 0.00 O ATOM 0 H SER A 6 -12.342 3.035 3.145 1.00 0.00 H new ATOM 0 HA SER A 6 -12.735 3.694 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.555 2.762 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.641 1.337 4.114 1.00 0.00 H new ATOM 0 HG SER A 6 -15.120 0.912 5.865 1.00 0.00 H new ATOM 96 N SER A 7 -12.065 1.564 7.309 1.00 0.00 N ATOM 97 CA SER A 7 -11.241 0.690 8.190 1.00 0.00 C ATOM 98 C SER A 7 -10.756 -0.519 7.383 1.00 0.00 C ATOM 99 O SER A 7 -11.516 -1.429 7.119 1.00 0.00 O ATOM 100 CB SER A 7 -12.095 0.204 9.362 1.00 0.00 C ATOM 101 OG SER A 7 -13.421 -0.033 8.911 1.00 0.00 O ATOM 0 H SER A 7 -12.950 1.877 7.708 1.00 0.00 H new ATOM 0 HA SER A 7 -10.386 1.250 8.568 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.672 -0.709 9.780 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.097 0.948 10.158 1.00 0.00 H new ATOM 0 HG SER A 7 -13.399 -0.614 8.122 1.00 0.00 H new ATOM 107 N PRO A 8 -9.501 -0.483 7.001 1.00 0.00 N ATOM 108 CA PRO A 8 -8.884 -1.559 6.205 1.00 0.00 C ATOM 109 C PRO A 8 -8.598 -2.774 7.089 1.00 0.00 C ATOM 110 O PRO A 8 -8.662 -2.702 8.299 1.00 0.00 O ATOM 111 CB PRO A 8 -7.589 -0.930 5.687 1.00 0.00 C ATOM 112 CG PRO A 8 -7.254 0.232 6.650 1.00 0.00 C ATOM 113 CD PRO A 8 -8.573 0.619 7.343 1.00 0.00 C ATOM 0 HA PRO A 8 -9.521 -1.919 5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.782 -1.663 5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.715 -0.566 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.506 -0.074 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.839 1.080 6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.444 0.711 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.945 1.579 6.984 1.00 0.00 H new ATOM 121 N ASP A 9 -8.276 -3.888 6.493 1.00 0.00 N ATOM 122 CA ASP A 9 -7.981 -5.101 7.304 1.00 0.00 C ATOM 123 C ASP A 9 -6.548 -5.011 7.835 1.00 0.00 C ATOM 124 O ASP A 9 -6.199 -5.636 8.816 1.00 0.00 O ATOM 125 CB ASP A 9 -8.122 -6.346 6.426 1.00 0.00 C ATOM 126 CG ASP A 9 -9.585 -6.520 6.017 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.214 -5.524 5.698 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.055 -7.647 6.030 1.00 0.00 O ATOM 0 H ASP A 9 -8.205 -4.011 5.483 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.679 -5.166 8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.495 -6.252 5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.778 -7.227 6.968 1.00 0.00 H new ATOM 133 N HIS A 10 -5.716 -4.244 7.186 1.00 0.00 N ATOM 134 CA HIS A 10 -4.305 -4.118 7.642 1.00 0.00 C ATOM 135 C HIS A 10 -3.796 -2.706 7.352 1.00 0.00 C ATOM 136 O HIS A 10 -4.481 -1.911 6.753 1.00 0.00 O ATOM 137 CB HIS A 10 -3.453 -5.124 6.874 1.00 0.00 C ATOM 138 CG HIS A 10 -3.587 -6.479 7.511 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.539 -7.091 8.181 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.644 -7.349 7.589 1.00 0.00 C ATOM 141 CE1 HIS A 10 -2.985 -8.280 8.628 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.263 -8.487 8.294 1.00 0.00 N ATOM 0 H HIS A 10 -5.954 -3.698 6.358 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.244 -4.311 8.713 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.771 -5.166 5.832 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.409 -4.810 6.876 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.623 -7.177 7.167 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.384 -8.981 9.188 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.836 -9.303 8.509 1.00 0.00 H new ATOM 150 N THR A 11 -2.599 -2.387 7.772 1.00 0.00 N ATOM 151 CA THR A 11 -2.054 -1.028 7.504 1.00 0.00 C ATOM 152 C THR A 11 -0.542 -1.118 7.275 1.00 0.00 C ATOM 153 O THR A 11 0.097 -2.081 7.650 1.00 0.00 O ATOM 154 CB THR A 11 -2.322 -0.135 8.707 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.709 -0.158 9.013 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.884 1.300 8.399 1.00 0.00 C ATOM 0 H THR A 11 -1.978 -3.010 8.288 1.00 0.00 H new ATOM 0 HA THR A 11 -2.534 -0.612 6.618 1.00 0.00 H new ATOM 0 HB THR A 11 -1.755 -0.503 9.562 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.882 0.416 9.788 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.079 1.934 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.818 1.314 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.443 1.675 7.542 1.00 0.00 H new ATOM 164 N LEU A 12 0.033 -0.114 6.676 1.00 0.00 N ATOM 165 CA LEU A 12 1.509 -0.123 6.433 1.00 0.00 C ATOM 166 C LEU A 12 2.049 1.296 6.515 1.00 0.00 C ATOM 167 O LEU A 12 1.805 2.096 5.649 1.00 0.00 O ATOM 168 CB LEU A 12 1.812 -0.653 5.028 1.00 0.00 C ATOM 169 CG LEU A 12 3.272 -0.311 4.636 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.201 -0.581 5.821 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.699 -1.188 3.465 1.00 0.00 C ATOM 0 H LEU A 12 -0.454 0.717 6.342 1.00 0.00 H new ATOM 0 HA LEU A 12 1.975 -0.760 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.662 -1.732 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.121 -0.214 4.308 1.00 0.00 H new ATOM 0 HG LEU A 12 3.331 0.741 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.227 -0.339 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.900 0.037 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.139 -1.633 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.726 -0.949 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.636 -2.237 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.041 -1.006 2.615 1.00 0.00 H new ATOM 183 N ASP A 13 2.822 1.608 7.505 1.00 0.00 N ATOM 184 CA ASP A 13 3.400 2.975 7.557 1.00 0.00 C ATOM 185 C ASP A 13 4.596 2.989 6.605 1.00 0.00 C ATOM 186 O ASP A 13 5.343 2.033 6.537 1.00 0.00 O ATOM 187 CB ASP A 13 3.857 3.296 8.983 1.00 0.00 C ATOM 188 CG ASP A 13 4.659 4.600 8.983 1.00 0.00 C ATOM 189 OD1 ASP A 13 4.046 5.649 9.109 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.870 4.529 8.860 1.00 0.00 O ATOM 0 H ASP A 13 3.079 0.988 8.273 1.00 0.00 H new ATOM 0 HA ASP A 13 2.663 3.723 7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.993 3.389 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.468 2.481 9.372 1.00 0.00 H new ATOM 195 N ALA A 14 4.802 4.045 5.871 1.00 0.00 N ATOM 196 CA ALA A 14 5.966 4.066 4.947 1.00 0.00 C ATOM 197 C ALA A 14 6.498 5.500 4.888 1.00 0.00 C ATOM 198 O ALA A 14 7.254 5.920 4.007 1.00 0.00 O ATOM 199 CB ALA A 14 5.553 3.524 3.586 1.00 0.00 C ATOM 0 H ALA A 14 4.222 4.884 5.870 1.00 0.00 H new ATOM 0 HA ALA A 14 6.770 3.421 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.410 3.541 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.198 2.499 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.755 4.143 3.175 1.00 0.00 H new ATOM 205 N LEU A 15 6.123 6.230 5.893 1.00 0.00 N ATOM 206 CA LEU A 15 6.586 7.605 6.066 1.00 0.00 C ATOM 207 C LEU A 15 8.003 7.505 6.598 1.00 0.00 C ATOM 208 O LEU A 15 8.240 7.044 7.696 1.00 0.00 O ATOM 209 CB LEU A 15 5.705 8.298 7.081 1.00 0.00 C ATOM 210 CG LEU A 15 4.238 8.018 6.771 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.371 8.455 7.953 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.840 8.807 5.527 1.00 0.00 C ATOM 0 H LEU A 15 5.489 5.906 6.624 1.00 0.00 H new ATOM 0 HA LEU A 15 6.550 8.170 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.947 7.948 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.891 9.372 7.064 1.00 0.00 H new ATOM 0 HG LEU A 15 4.093 6.952 6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.323 8.254 7.730 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.665 7.901 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.506 9.522 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.792 8.615 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.982 9.872 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.461 8.498 4.686 1.00 0.00 H new ATOM 224 N GLY A 16 8.946 7.875 5.808 1.00 0.00 N ATOM 225 CA GLY A 16 10.361 7.742 6.234 1.00 0.00 C ATOM 226 C GLY A 16 10.859 6.374 5.757 1.00 0.00 C ATOM 227 O GLY A 16 12.027 6.053 5.855 1.00 0.00 O ATOM 0 H GLY A 16 8.807 8.268 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.967 8.541 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.444 7.824 7.318 1.00 0.00 H new ATOM 231 N LEU A 17 9.970 5.578 5.208 1.00 0.00 N ATOM 232 CA LEU A 17 10.357 4.250 4.686 1.00 0.00 C ATOM 233 C LEU A 17 10.727 4.435 3.246 1.00 0.00 C ATOM 234 O LEU A 17 10.165 5.258 2.565 1.00 0.00 O ATOM 235 CB LEU A 17 9.174 3.288 4.733 1.00 0.00 C ATOM 236 CG LEU A 17 8.822 2.916 6.167 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.240 1.509 6.161 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.064 2.924 7.042 1.00 0.00 C ATOM 0 H LEU A 17 8.981 5.806 5.103 1.00 0.00 H new ATOM 0 HA LEU A 17 11.174 3.846 5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.310 3.746 4.251 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.413 2.386 4.169 1.00 0.00 H new ATOM 0 HG LEU A 17 8.108 3.638 6.563 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.979 1.219 7.179 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.346 1.488 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.977 0.812 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.792 2.656 8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.785 2.203 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.508 3.920 7.035 1.00 0.00 H new ATOM 250 N ARG A 18 11.640 3.686 2.754 1.00 0.00 N ATOM 251 CA ARG A 18 11.982 3.871 1.332 1.00 0.00 C ATOM 252 C ARG A 18 12.281 2.531 0.703 1.00 0.00 C ATOM 253 O ARG A 18 12.767 1.627 1.345 1.00 0.00 O ATOM 254 CB ARG A 18 13.158 4.814 1.213 1.00 0.00 C ATOM 255 CG ARG A 18 14.195 4.495 2.291 1.00 0.00 C ATOM 256 CD ARG A 18 15.581 4.928 1.808 1.00 0.00 C ATOM 257 NE ARG A 18 16.412 5.329 2.978 1.00 0.00 N ATOM 258 CZ ARG A 18 16.984 4.417 3.717 1.00 0.00 C ATOM 259 NH1 ARG A 18 18.173 3.976 3.405 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.366 3.945 4.765 1.00 0.00 N ATOM 0 H ARG A 18 12.160 2.966 3.255 1.00 0.00 H new ATOM 0 HA ARG A 18 11.139 4.312 0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.609 4.723 0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.820 5.845 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.943 5.011 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.191 3.427 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.062 4.111 1.270 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.491 5.760 1.110 1.00 0.00 H new ATOM 0 HE ARG A 18 16.534 6.317 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.654 4.344 2.584 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.620 3.264 3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.436 4.288 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.812 3.233 5.342 1.00 0.00 H new ATOM 274 N CYS A 19 11.983 2.391 -0.543 1.00 0.00 N ATOM 275 CA CYS A 19 12.229 1.083 -1.207 1.00 0.00 C ATOM 276 C CYS A 19 13.627 0.607 -0.845 1.00 0.00 C ATOM 277 O CYS A 19 14.548 1.397 -0.773 1.00 0.00 O ATOM 278 CB CYS A 19 12.111 1.250 -2.720 1.00 0.00 C ATOM 279 SG CYS A 19 12.779 -0.209 -3.561 1.00 0.00 S ATOM 0 H CYS A 19 11.581 3.117 -1.136 1.00 0.00 H new ATOM 0 HA CYS A 19 11.494 0.350 -0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.067 1.393 -2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.651 2.142 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 19 12.671 -0.056 -4.847 1.00 0.00 H new ATOM 285 N PRO A 20 13.755 -0.676 -0.633 1.00 0.00 N ATOM 286 CA PRO A 20 12.645 -1.658 -0.718 1.00 0.00 C ATOM 287 C PRO A 20 11.910 -1.807 0.630 1.00 0.00 C ATOM 288 O PRO A 20 11.070 -2.662 0.784 1.00 0.00 O ATOM 289 CB PRO A 20 13.374 -2.968 -1.009 1.00 0.00 C ATOM 290 CG PRO A 20 14.813 -2.789 -0.465 1.00 0.00 C ATOM 291 CD PRO A 20 15.057 -1.280 -0.313 1.00 0.00 C ATOM 0 HA PRO A 20 11.898 -1.366 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.876 -3.807 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.385 -3.179 -2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.928 -3.296 0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.540 -3.229 -1.148 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.377 -1.027 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.836 -0.931 -0.991 1.00 0.00 H new ATOM 299 N GLU A 21 12.281 -1.043 1.615 1.00 0.00 N ATOM 300 CA GLU A 21 11.667 -1.186 2.987 1.00 0.00 C ATOM 301 C GLU A 21 10.134 -1.124 3.011 1.00 0.00 C ATOM 302 O GLU A 21 9.505 -1.951 3.641 1.00 0.00 O ATOM 303 CB GLU A 21 12.225 -0.109 3.906 1.00 0.00 C ATOM 304 CG GLU A 21 13.626 -0.505 4.373 1.00 0.00 C ATOM 305 CD GLU A 21 14.632 0.559 3.928 1.00 0.00 C ATOM 306 OE1 GLU A 21 14.982 0.562 2.759 1.00 0.00 O ATOM 307 OE2 GLU A 21 15.033 1.352 4.763 1.00 0.00 O ATOM 0 H GLU A 21 12.990 -0.314 1.540 1.00 0.00 H new ATOM 0 HA GLU A 21 11.935 -2.185 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.262 0.846 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.569 0.025 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.644 -0.607 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.899 -1.475 3.957 1.00 0.00 H new ATOM 314 N PRO A 22 9.571 -0.162 2.357 1.00 0.00 N ATOM 315 CA PRO A 22 8.114 0.006 2.323 1.00 0.00 C ATOM 316 C PRO A 22 7.538 -1.116 1.493 1.00 0.00 C ATOM 317 O PRO A 22 6.829 -1.974 1.976 1.00 0.00 O ATOM 318 CB PRO A 22 7.926 1.370 1.669 1.00 0.00 C ATOM 319 CG PRO A 22 9.229 1.671 0.903 1.00 0.00 C ATOM 320 CD PRO A 22 10.318 0.815 1.566 1.00 0.00 C ATOM 0 HA PRO A 22 7.618 -0.032 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.071 1.361 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.731 2.136 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.127 1.422 -0.153 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.478 2.731 0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.949 0.328 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.973 1.419 2.194 1.00 0.00 H new ATOM 328 N VAL A 23 7.891 -1.145 0.254 1.00 0.00 N ATOM 329 CA VAL A 23 7.432 -2.251 -0.612 1.00 0.00 C ATOM 330 C VAL A 23 7.670 -3.564 0.137 1.00 0.00 C ATOM 331 O VAL A 23 7.013 -4.558 -0.100 1.00 0.00 O ATOM 332 CB VAL A 23 8.277 -2.259 -1.879 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.833 -3.407 -2.785 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.114 -0.930 -2.617 1.00 0.00 C ATOM 0 H VAL A 23 8.480 -0.449 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 23 6.378 -2.132 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 23 9.325 -2.395 -1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.439 -3.411 -3.691 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.959 -4.354 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.784 -3.276 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.720 -0.940 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.067 -0.788 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.439 -0.113 -1.972 1.00 0.00 H new ATOM 344 N MET A 24 8.622 -3.572 1.041 1.00 0.00 N ATOM 345 CA MET A 24 8.918 -4.819 1.800 1.00 0.00 C ATOM 346 C MET A 24 7.819 -5.068 2.834 1.00 0.00 C ATOM 347 O MET A 24 7.358 -6.179 3.008 1.00 0.00 O ATOM 348 CB MET A 24 10.263 -4.672 2.514 1.00 0.00 C ATOM 349 CG MET A 24 11.392 -5.089 1.570 1.00 0.00 C ATOM 350 SD MET A 24 12.943 -4.337 2.118 1.00 0.00 S ATOM 351 CE MET A 24 13.537 -5.739 3.094 1.00 0.00 C ATOM 0 H MET A 24 9.203 -2.769 1.282 1.00 0.00 H new ATOM 0 HA MET A 24 8.960 -5.660 1.108 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.405 -3.640 2.834 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.279 -5.290 3.412 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.487 -6.175 1.556 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.163 -4.776 0.551 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.503 -5.492 3.535 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.822 -5.960 3.886 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.645 -6.611 2.449 1.00 0.00 H new ATOM 361 N MET A 25 7.395 -4.045 3.524 1.00 0.00 N ATOM 362 CA MET A 25 6.328 -4.233 4.542 1.00 0.00 C ATOM 363 C MET A 25 5.074 -4.765 3.860 1.00 0.00 C ATOM 364 O MET A 25 4.430 -5.662 4.352 1.00 0.00 O ATOM 365 CB MET A 25 6.020 -2.898 5.221 1.00 0.00 C ATOM 366 CG MET A 25 7.027 -2.651 6.345 1.00 0.00 C ATOM 367 SD MET A 25 6.858 -3.941 7.603 1.00 0.00 S ATOM 368 CE MET A 25 5.648 -3.087 8.643 1.00 0.00 C ATOM 0 H MET A 25 7.741 -3.091 3.426 1.00 0.00 H new ATOM 0 HA MET A 25 6.664 -4.945 5.296 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.067 -2.088 4.493 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.007 -2.908 5.622 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.041 -2.649 5.945 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.858 -1.670 6.790 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.395 -3.715 9.497 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.071 -2.147 8.996 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.748 -2.884 8.063 1.00 0.00 H new ATOM 378 N VAL A 26 4.722 -4.228 2.725 1.00 0.00 N ATOM 379 CA VAL A 26 3.507 -4.736 2.024 1.00 0.00 C ATOM 380 C VAL A 26 3.729 -6.196 1.652 1.00 0.00 C ATOM 381 O VAL A 26 2.801 -6.955 1.548 1.00 0.00 O ATOM 382 CB VAL A 26 3.263 -3.938 0.747 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.130 -4.576 -0.064 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.862 -2.514 1.101 1.00 0.00 C ATOM 0 H VAL A 26 5.215 -3.468 2.256 1.00 0.00 H new ATOM 0 HA VAL A 26 2.645 -4.634 2.683 1.00 0.00 H new ATOM 0 HB VAL A 26 4.181 -3.934 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.964 -3.999 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.402 -5.598 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.217 -4.586 0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.689 -1.947 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.949 -2.530 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.661 -2.043 1.674 1.00 0.00 H new ATOM 394 N ARG A 27 4.949 -6.591 1.436 1.00 0.00 N ATOM 395 CA ARG A 27 5.207 -8.015 1.062 1.00 0.00 C ATOM 396 C ARG A 27 4.823 -8.925 2.217 1.00 0.00 C ATOM 397 O ARG A 27 4.046 -9.833 2.065 1.00 0.00 O ATOM 398 CB ARG A 27 6.687 -8.231 0.769 1.00 0.00 C ATOM 399 CG ARG A 27 6.983 -7.839 -0.673 1.00 0.00 C ATOM 400 CD ARG A 27 6.797 -9.057 -1.579 1.00 0.00 C ATOM 401 NE ARG A 27 8.129 -9.576 -1.996 1.00 0.00 N ATOM 402 CZ ARG A 27 8.207 -10.616 -2.782 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.169 -11.819 -2.277 1.00 0.00 N ATOM 404 NH2 ARG A 27 8.319 -10.452 -4.071 1.00 0.00 N ATOM 0 H ARG A 27 5.777 -5.998 1.500 1.00 0.00 H new ATOM 0 HA ARG A 27 4.616 -8.245 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.294 -7.635 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.953 -9.275 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.318 -7.034 -0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.002 -7.462 -0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.241 -9.833 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.211 -8.784 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 27 8.980 -9.119 -1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.078 -11.946 -1.269 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.230 -12.632 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.346 -9.512 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.380 -11.264 -4.685 1.00 0.00 H new ATOM 418 N LYS A 28 5.378 -8.682 3.365 1.00 0.00 N ATOM 419 CA LYS A 28 5.073 -9.530 4.557 1.00 0.00 C ATOM 420 C LYS A 28 3.582 -9.446 4.848 1.00 0.00 C ATOM 421 O LYS A 28 2.919 -10.436 5.065 1.00 0.00 O ATOM 422 CB LYS A 28 5.860 -9.021 5.766 1.00 0.00 C ATOM 423 CG LYS A 28 7.351 -8.982 5.425 1.00 0.00 C ATOM 424 CD LYS A 28 7.872 -10.410 5.254 1.00 0.00 C ATOM 425 CE LYS A 28 8.041 -11.062 6.628 1.00 0.00 C ATOM 426 NZ LYS A 28 9.293 -10.565 7.264 1.00 0.00 N ATOM 0 H LYS A 28 6.039 -7.924 3.537 1.00 0.00 H new ATOM 0 HA LYS A 28 5.356 -10.564 4.358 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.514 -8.026 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.689 -9.671 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.511 -8.413 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.903 -8.474 6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.178 -10.991 4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.825 -10.399 4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.183 -10.831 7.260 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.078 -12.147 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.525 -11.160 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.072 -10.606 6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.158 -9.582 7.576 1.00 0.00 H new ATOM 440 N THR A 29 3.056 -8.261 4.820 1.00 0.00 N ATOM 441 CA THR A 29 1.606 -8.055 5.053 1.00 0.00 C ATOM 442 C THR A 29 0.857 -8.786 3.949 1.00 0.00 C ATOM 443 O THR A 29 -0.201 -9.348 4.145 1.00 0.00 O ATOM 444 CB THR A 29 1.365 -6.549 4.964 1.00 0.00 C ATOM 445 OG1 THR A 29 1.484 -5.972 6.256 1.00 0.00 O ATOM 446 CG2 THR A 29 -0.008 -6.216 4.373 1.00 0.00 C ATOM 0 H THR A 29 3.582 -7.406 4.641 1.00 0.00 H new ATOM 0 HA THR A 29 1.270 -8.431 6.019 1.00 0.00 H new ATOM 0 HB THR A 29 2.118 -6.133 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.331 -5.006 6.198 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.133 -5.134 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.081 -6.630 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.788 -6.647 5.000 1.00 0.00 H new ATOM 454 N VAL A 30 1.435 -8.794 2.790 1.00 0.00 N ATOM 455 CA VAL A 30 0.822 -9.492 1.637 1.00 0.00 C ATOM 456 C VAL A 30 0.908 -10.986 1.921 1.00 0.00 C ATOM 457 O VAL A 30 0.090 -11.774 1.492 1.00 0.00 O ATOM 458 CB VAL A 30 1.634 -9.144 0.385 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.456 -10.222 -0.671 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.168 -7.804 -0.192 1.00 0.00 C ATOM 0 H VAL A 30 2.324 -8.337 2.588 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.217 -9.199 1.483 1.00 0.00 H new ATOM 0 HB VAL A 30 2.685 -9.076 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.038 -9.964 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.800 -11.178 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.402 -10.298 -0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.753 -7.568 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.113 -7.870 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.306 -7.020 0.552 1.00 0.00 H new ATOM 470 N ARG A 31 1.908 -11.359 2.663 1.00 0.00 N ATOM 471 CA ARG A 31 2.097 -12.782 3.027 1.00 0.00 C ATOM 472 C ARG A 31 1.091 -13.134 4.117 1.00 0.00 C ATOM 473 O ARG A 31 0.651 -14.261 4.233 1.00 0.00 O ATOM 474 CB ARG A 31 3.511 -12.978 3.573 1.00 0.00 C ATOM 475 CG ARG A 31 4.545 -12.758 2.457 1.00 0.00 C ATOM 476 CD ARG A 31 5.958 -12.687 3.051 1.00 0.00 C ATOM 477 NE ARG A 31 5.983 -13.336 4.395 1.00 0.00 N ATOM 478 CZ ARG A 31 5.797 -14.623 4.505 1.00 0.00 C ATOM 479 NH1 ARG A 31 6.161 -15.421 3.538 1.00 0.00 N ATOM 480 NH2 ARG A 31 5.247 -15.112 5.582 1.00 0.00 N ATOM 0 H ARG A 31 2.614 -10.725 3.038 1.00 0.00 H new ATOM 0 HA ARG A 31 1.952 -13.418 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.693 -12.280 4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.615 -13.983 3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.487 -13.570 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.321 -11.836 1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.666 -13.182 2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.274 -11.647 3.135 1.00 0.00 H new ATOM 0 HE ARG A 31 6.146 -12.772 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.591 -15.039 2.696 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.015 -16.427 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.963 -14.489 6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.101 -16.118 5.669 1.00 0.00 H new ATOM 494 N ASN A 32 0.720 -12.172 4.922 1.00 0.00 N ATOM 495 CA ASN A 32 -0.261 -12.460 6.005 1.00 0.00 C ATOM 496 C ASN A 32 -1.644 -11.956 5.590 1.00 0.00 C ATOM 497 O ASN A 32 -2.600 -12.061 6.331 1.00 0.00 O ATOM 498 CB ASN A 32 0.177 -11.776 7.306 1.00 0.00 C ATOM 499 CG ASN A 32 0.099 -10.253 7.163 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.677 -9.738 6.384 1.00 0.00 O ATOM 501 ND2 ASN A 32 0.878 -9.505 7.894 1.00 0.00 N ATOM 0 H ASN A 32 1.052 -11.208 4.876 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.305 -13.536 6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.460 -12.103 8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.196 -12.072 7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.835 -8.489 7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 32 1.531 -9.936 8.549 1.00 0.00 H new ATOM 508 N MET A 33 -1.760 -11.414 4.407 1.00 0.00 N ATOM 509 CA MET A 33 -3.085 -10.914 3.952 1.00 0.00 C ATOM 510 C MET A 33 -3.866 -12.046 3.284 1.00 0.00 C ATOM 511 O MET A 33 -3.340 -13.104 3.001 1.00 0.00 O ATOM 512 CB MET A 33 -2.901 -9.767 2.952 1.00 0.00 C ATOM 513 CG MET A 33 -2.893 -8.433 3.700 1.00 0.00 C ATOM 514 SD MET A 33 -3.574 -7.136 2.636 1.00 0.00 S ATOM 515 CE MET A 33 -5.281 -7.742 2.594 1.00 0.00 C ATOM 0 H MET A 33 -0.997 -11.297 3.740 1.00 0.00 H new ATOM 0 HA MET A 33 -3.638 -10.551 4.818 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.967 -9.894 2.404 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.706 -9.779 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.481 -8.514 4.614 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.876 -8.177 3.997 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.822 -7.250 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.281 -8.819 2.427 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.769 -7.522 3.544 1.00 0.00 H new ATOM 525 N GLN A 34 -5.122 -11.817 3.035 1.00 0.00 N ATOM 526 CA GLN A 34 -5.973 -12.851 2.387 1.00 0.00 C ATOM 527 C GLN A 34 -6.667 -12.212 1.187 1.00 0.00 C ATOM 528 O GLN A 34 -6.859 -11.015 1.157 1.00 0.00 O ATOM 529 CB GLN A 34 -7.021 -13.351 3.382 1.00 0.00 C ATOM 530 CG GLN A 34 -6.375 -14.339 4.355 1.00 0.00 C ATOM 531 CD GLN A 34 -7.276 -14.515 5.578 1.00 0.00 C ATOM 532 OE1 GLN A 34 -8.473 -14.674 5.447 1.00 0.00 O ATOM 533 NE2 GLN A 34 -6.748 -14.493 6.771 1.00 0.00 N ATOM 0 H GLN A 34 -5.603 -10.945 3.256 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.363 -13.695 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.446 -12.511 3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.841 -13.833 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.219 -15.300 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.395 -13.975 4.662 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.743 -14.360 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.340 -14.609 7.593 1.00 0.00 H new ATOM 542 N PRO A 35 -7.020 -13.017 0.225 1.00 0.00 N ATOM 543 CA PRO A 35 -7.689 -12.524 -0.984 1.00 0.00 C ATOM 544 C PRO A 35 -9.099 -12.054 -0.640 1.00 0.00 C ATOM 545 O PRO A 35 -9.893 -12.778 -0.074 1.00 0.00 O ATOM 546 CB PRO A 35 -7.685 -13.728 -1.925 1.00 0.00 C ATOM 547 CG PRO A 35 -7.503 -14.975 -1.029 1.00 0.00 C ATOM 548 CD PRO A 35 -6.819 -14.479 0.262 1.00 0.00 C ATOM 0 HA PRO A 35 -7.198 -11.665 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.617 -13.786 -2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.877 -13.650 -2.653 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.464 -15.439 -0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.893 -15.728 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.270 -14.923 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.760 -14.737 0.279 1.00 0.00 H new ATOM 556 N GLY A 36 -9.393 -10.824 -0.945 1.00 0.00 N ATOM 557 CA GLY A 36 -10.721 -10.261 -0.609 1.00 0.00 C ATOM 558 C GLY A 36 -10.556 -9.412 0.647 1.00 0.00 C ATOM 559 O GLY A 36 -11.503 -9.138 1.358 1.00 0.00 O ATOM 0 H GLY A 36 -8.760 -10.179 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.101 -9.657 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.444 -11.059 -0.440 1.00 0.00 H new ATOM 563 N GLU A 37 -9.343 -9.001 0.933 1.00 0.00 N ATOM 564 CA GLU A 37 -9.100 -8.179 2.150 1.00 0.00 C ATOM 565 C GLU A 37 -8.577 -6.802 1.745 1.00 0.00 C ATOM 566 O GLU A 37 -8.507 -6.476 0.577 1.00 0.00 O ATOM 567 CB GLU A 37 -8.067 -8.877 3.033 1.00 0.00 C ATOM 568 CG GLU A 37 -8.777 -9.810 4.015 1.00 0.00 C ATOM 569 CD GLU A 37 -9.598 -10.841 3.238 1.00 0.00 C ATOM 570 OE1 GLU A 37 -9.026 -11.511 2.395 1.00 0.00 O ATOM 571 OE2 GLU A 37 -10.786 -10.941 3.500 1.00 0.00 O ATOM 0 H GLU A 37 -8.514 -9.202 0.373 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.033 -8.061 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.370 -9.444 2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.481 -8.137 3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.046 -10.314 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.427 -9.235 4.675 1.00 0.00 H new ATOM 578 N THR A 38 -8.214 -5.984 2.696 1.00 0.00 N ATOM 579 CA THR A 38 -7.706 -4.629 2.344 1.00 0.00 C ATOM 580 C THR A 38 -6.527 -4.243 3.239 1.00 0.00 C ATOM 581 O THR A 38 -6.397 -4.699 4.358 1.00 0.00 O ATOM 582 CB THR A 38 -8.832 -3.609 2.506 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.696 -4.021 3.555 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.618 -3.519 1.198 1.00 0.00 C ATOM 0 H THR A 38 -8.247 -6.194 3.694 1.00 0.00 H new ATOM 0 HA THR A 38 -7.363 -4.640 1.309 1.00 0.00 H new ATOM 0 HB THR A 38 -8.413 -2.632 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.418 -3.366 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.423 -2.793 1.307 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.952 -3.205 0.394 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.040 -4.495 0.959 1.00 0.00 H new ATOM 592 N LEU A 39 -5.666 -3.401 2.736 1.00 0.00 N ATOM 593 CA LEU A 39 -4.479 -2.956 3.518 1.00 0.00 C ATOM 594 C LEU A 39 -4.212 -1.482 3.189 1.00 0.00 C ATOM 595 O LEU A 39 -3.895 -1.139 2.069 1.00 0.00 O ATOM 596 CB LEU A 39 -3.270 -3.804 3.103 1.00 0.00 C ATOM 597 CG LEU A 39 -1.974 -3.168 3.614 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.655 -3.705 5.006 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.833 -3.522 2.658 1.00 0.00 C ATOM 0 H LEU A 39 -5.737 -2.997 1.802 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.654 -3.072 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.370 -4.813 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.236 -3.894 2.017 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.092 -2.086 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.732 -3.251 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.471 -3.461 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.533 -4.787 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.094 -3.073 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.718 -4.605 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.061 -3.141 1.663 1.00 0.00 H new ATOM 611 N LEU A 40 -4.329 -0.607 4.148 1.00 0.00 N ATOM 612 CA LEU A 40 -4.074 0.831 3.873 1.00 0.00 C ATOM 613 C LEU A 40 -2.587 1.097 4.065 1.00 0.00 C ATOM 614 O LEU A 40 -1.949 0.506 4.911 1.00 0.00 O ATOM 615 CB LEU A 40 -4.889 1.690 4.844 1.00 0.00 C ATOM 616 CG LEU A 40 -4.450 3.152 4.742 1.00 0.00 C ATOM 617 CD1 LEU A 40 -5.144 3.810 3.550 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.838 3.888 6.025 1.00 0.00 C ATOM 0 H LEU A 40 -4.590 -0.827 5.109 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.368 1.081 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.951 1.604 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.752 1.331 5.864 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.370 3.200 4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.832 4.852 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.872 3.284 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.224 3.764 3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.526 4.930 5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.919 3.841 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.346 3.419 6.877 1.00 0.00 H new ATOM 630 N ILE A 41 -2.019 1.959 3.274 1.00 0.00 N ATOM 631 CA ILE A 41 -0.564 2.226 3.409 1.00 0.00 C ATOM 632 C ILE A 41 -0.282 3.726 3.350 1.00 0.00 C ATOM 633 O ILE A 41 -0.983 4.477 2.704 1.00 0.00 O ATOM 634 CB ILE A 41 0.166 1.539 2.256 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.432 0.140 2.049 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.659 1.444 2.589 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.566 -0.753 1.303 1.00 0.00 C ATOM 0 H ILE A 41 -2.496 2.488 2.544 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.220 1.843 4.370 1.00 0.00 H new ATOM 0 HB ILE A 41 0.049 2.114 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.680 -0.304 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.361 0.213 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.184 0.954 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.064 2.446 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.792 0.864 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.133 -1.743 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.792 -0.313 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.484 -0.839 1.885 1.00 0.00 H new ATOM 649 N ILE A 42 0.765 4.161 3.991 1.00 0.00 N ATOM 650 CA ILE A 42 1.128 5.584 3.942 1.00 0.00 C ATOM 651 C ILE A 42 2.566 5.641 3.496 1.00 0.00 C ATOM 652 O ILE A 42 3.292 4.679 3.615 1.00 0.00 O ATOM 653 CB ILE A 42 0.995 6.216 5.316 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.351 5.807 5.919 1.00 0.00 C ATOM 655 CG2 ILE A 42 1.078 7.741 5.173 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.847 6.907 6.845 1.00 0.00 C ATOM 0 H ILE A 42 1.386 3.576 4.551 1.00 0.00 H new ATOM 0 HA ILE A 42 0.472 6.128 3.262 1.00 0.00 H new ATOM 0 HB ILE A 42 1.797 5.878 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.078 5.629 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.246 4.873 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.983 8.204 6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.038 8.014 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.272 8.090 4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.806 6.616 7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.123 7.063 7.645 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.968 7.831 6.280 1.00 0.00 H new ATOM 668 N ALA A 43 2.993 6.733 2.978 1.00 0.00 N ATOM 669 CA ALA A 43 4.395 6.799 2.526 1.00 0.00 C ATOM 670 C ALA A 43 4.805 8.244 2.355 1.00 0.00 C ATOM 671 O ALA A 43 4.161 9.004 1.671 1.00 0.00 O ATOM 672 CB ALA A 43 4.535 6.068 1.189 1.00 0.00 C ATOM 0 H ALA A 43 2.442 7.581 2.845 1.00 0.00 H new ATOM 0 HA ALA A 43 5.037 6.326 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.571 6.117 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.242 5.025 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.892 6.541 0.447 1.00 0.00 H new ATOM 678 N ASP A 44 5.900 8.616 2.916 1.00 0.00 N ATOM 679 CA ASP A 44 6.376 9.997 2.721 1.00 0.00 C ATOM 680 C ASP A 44 7.508 9.884 1.736 1.00 0.00 C ATOM 681 O ASP A 44 7.781 10.781 0.962 1.00 0.00 O ATOM 682 CB ASP A 44 6.820 10.638 4.051 1.00 0.00 C ATOM 683 CG ASP A 44 8.311 10.419 4.359 1.00 0.00 C ATOM 684 OD1 ASP A 44 9.123 10.501 3.452 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.620 10.209 5.519 1.00 0.00 O ATOM 0 H ASP A 44 6.490 8.026 3.503 1.00 0.00 H new ATOM 0 HA ASP A 44 5.589 10.652 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.616 11.708 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.223 10.225 4.864 1.00 0.00 H new ATOM 690 N ASP A 45 8.148 8.749 1.734 1.00 0.00 N ATOM 691 CA ASP A 45 9.240 8.543 0.762 1.00 0.00 C ATOM 692 C ASP A 45 8.650 8.692 -0.650 1.00 0.00 C ATOM 693 O ASP A 45 7.527 8.295 -0.887 1.00 0.00 O ATOM 694 CB ASP A 45 9.794 7.154 0.982 1.00 0.00 C ATOM 695 CG ASP A 45 10.517 6.644 -0.265 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.689 6.948 -0.413 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.892 5.949 -1.046 1.00 0.00 O ATOM 0 H ASP A 45 7.960 7.966 2.360 1.00 0.00 H new ATOM 0 HA ASP A 45 10.044 9.268 0.884 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.483 7.164 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.983 6.473 1.240 1.00 0.00 H new ATOM 702 N PRO A 46 9.408 9.280 -1.535 1.00 0.00 N ATOM 703 CA PRO A 46 8.966 9.518 -2.920 1.00 0.00 C ATOM 704 C PRO A 46 9.066 8.233 -3.735 1.00 0.00 C ATOM 705 O PRO A 46 8.447 8.083 -4.769 1.00 0.00 O ATOM 706 CB PRO A 46 9.954 10.569 -3.434 1.00 0.00 C ATOM 707 CG PRO A 46 11.213 10.458 -2.541 1.00 0.00 C ATOM 708 CD PRO A 46 10.774 9.751 -1.245 1.00 0.00 C ATOM 0 HA PRO A 46 7.928 9.844 -2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.203 10.390 -4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.523 11.569 -3.376 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.996 9.892 -3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.622 11.445 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.437 8.922 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.788 10.433 -0.395 1.00 0.00 H new ATOM 716 N ALA A 47 9.848 7.309 -3.270 1.00 0.00 N ATOM 717 CA ALA A 47 10.010 6.021 -4.005 1.00 0.00 C ATOM 718 C ALA A 47 8.945 5.020 -3.553 1.00 0.00 C ATOM 719 O ALA A 47 8.870 3.920 -4.058 1.00 0.00 O ATOM 720 CB ALA A 47 11.400 5.448 -3.728 1.00 0.00 C ATOM 0 H ALA A 47 10.388 7.385 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 47 9.895 6.204 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.519 4.507 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.159 6.155 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.515 5.273 -2.658 1.00 0.00 H new ATOM 726 N THR A 48 8.125 5.383 -2.606 1.00 0.00 N ATOM 727 CA THR A 48 7.076 4.435 -2.137 1.00 0.00 C ATOM 728 C THR A 48 5.826 4.592 -3.002 1.00 0.00 C ATOM 729 O THR A 48 5.184 3.627 -3.364 1.00 0.00 O ATOM 730 CB THR A 48 6.722 4.739 -0.680 1.00 0.00 C ATOM 731 OG1 THR A 48 6.734 6.145 -0.474 1.00 0.00 O ATOM 732 CG2 THR A 48 7.742 4.076 0.241 1.00 0.00 C ATOM 0 H THR A 48 8.135 6.290 -2.139 1.00 0.00 H new ATOM 0 HA THR A 48 7.452 3.415 -2.215 1.00 0.00 H new ATOM 0 HB THR A 48 5.729 4.349 -0.457 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.657 6.472 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.490 4.293 1.279 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.729 2.998 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.737 4.463 0.021 1.00 0.00 H new ATOM 740 N THR A 49 5.477 5.800 -3.343 1.00 0.00 N ATOM 741 CA THR A 49 4.268 6.001 -4.191 1.00 0.00 C ATOM 742 C THR A 49 4.444 5.202 -5.473 1.00 0.00 C ATOM 743 O THR A 49 3.492 4.754 -6.078 1.00 0.00 O ATOM 744 CB THR A 49 4.107 7.480 -4.566 1.00 0.00 C ATOM 745 OG1 THR A 49 4.787 7.730 -5.788 1.00 0.00 O ATOM 746 CG2 THR A 49 4.694 8.370 -3.476 1.00 0.00 C ATOM 0 H THR A 49 5.971 6.651 -3.075 1.00 0.00 H new ATOM 0 HA THR A 49 3.388 5.676 -3.636 1.00 0.00 H new ATOM 0 HB THR A 49 3.046 7.704 -4.675 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.685 8.674 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.572 9.416 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.176 8.183 -2.536 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.754 8.147 -3.356 1.00 0.00 H new ATOM 754 N ARG A 50 5.660 5.055 -5.911 1.00 0.00 N ATOM 755 CA ARG A 50 5.903 4.314 -7.184 1.00 0.00 C ATOM 756 C ARG A 50 6.275 2.847 -6.934 1.00 0.00 C ATOM 757 O ARG A 50 5.914 1.973 -7.696 1.00 0.00 O ATOM 758 CB ARG A 50 7.048 4.987 -7.937 1.00 0.00 C ATOM 759 CG ARG A 50 6.555 6.292 -8.565 1.00 0.00 C ATOM 760 CD ARG A 50 7.003 6.356 -10.026 1.00 0.00 C ATOM 761 NE ARG A 50 8.486 6.216 -10.097 1.00 0.00 N ATOM 762 CZ ARG A 50 9.050 5.809 -11.201 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.866 4.585 -11.614 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.798 6.625 -11.891 1.00 0.00 N ATOM 0 H ARG A 50 6.495 5.413 -5.448 1.00 0.00 H new ATOM 0 HA ARG A 50 4.981 4.335 -7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.875 5.189 -7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.428 4.321 -8.711 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.468 6.350 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.951 7.145 -8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.524 5.562 -10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.694 7.302 -10.471 1.00 0.00 H new ATOM 0 HE ARG A 50 9.059 6.438 -9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.282 3.947 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.307 4.266 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.942 7.582 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.239 6.307 -12.754 1.00 0.00 H new ATOM 778 N ASP A 51 7.038 2.575 -5.917 1.00 0.00 N ATOM 779 CA ASP A 51 7.480 1.168 -5.676 1.00 0.00 C ATOM 780 C ASP A 51 6.480 0.373 -4.831 1.00 0.00 C ATOM 781 O ASP A 51 6.188 -0.766 -5.127 1.00 0.00 O ATOM 782 CB ASP A 51 8.826 1.192 -4.952 1.00 0.00 C ATOM 783 CG ASP A 51 9.900 1.749 -5.887 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.799 1.513 -7.080 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.805 2.403 -5.396 1.00 0.00 O ATOM 0 H ASP A 51 7.376 3.260 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 51 7.556 0.676 -6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.757 1.806 -4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.095 0.186 -4.630 1.00 0.00 H new ATOM 790 N ILE A 52 5.982 0.932 -3.771 1.00 0.00 N ATOM 791 CA ILE A 52 5.036 0.158 -2.912 1.00 0.00 C ATOM 792 C ILE A 52 3.881 -0.396 -3.740 1.00 0.00 C ATOM 793 O ILE A 52 3.588 -1.574 -3.666 1.00 0.00 O ATOM 794 CB ILE A 52 4.523 1.050 -1.772 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.453 0.895 -0.570 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.096 0.653 -1.366 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.797 1.503 0.671 1.00 0.00 C ATOM 0 H ILE A 52 6.182 1.882 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 52 5.565 -0.691 -2.479 1.00 0.00 H new ATOM 0 HB ILE A 52 4.508 2.086 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.669 -0.160 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.405 1.388 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.755 1.299 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.431 0.762 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.088 -0.384 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.463 1.391 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.603 2.562 0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.857 0.990 0.874 1.00 0.00 H new ATOM 809 N PRO A 53 3.256 0.445 -4.505 1.00 0.00 N ATOM 810 CA PRO A 53 2.137 0.020 -5.344 1.00 0.00 C ATOM 811 C PRO A 53 2.649 -0.796 -6.509 1.00 0.00 C ATOM 812 O PRO A 53 2.181 -1.878 -6.764 1.00 0.00 O ATOM 813 CB PRO A 53 1.504 1.320 -5.800 1.00 0.00 C ATOM 814 CG PRO A 53 2.579 2.417 -5.636 1.00 0.00 C ATOM 815 CD PRO A 53 3.604 1.874 -4.624 1.00 0.00 C ATOM 0 HA PRO A 53 1.420 -0.615 -4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.178 1.249 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.621 1.551 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.056 2.639 -6.591 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.135 3.346 -5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.626 2.009 -4.978 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.529 2.386 -3.664 1.00 0.00 H new ATOM 823 N GLY A 54 3.623 -0.305 -7.210 1.00 0.00 N ATOM 824 CA GLY A 54 4.157 -1.101 -8.339 1.00 0.00 C ATOM 825 C GLY A 54 4.427 -2.512 -7.833 1.00 0.00 C ATOM 826 O GLY A 54 4.406 -3.467 -8.583 1.00 0.00 O ATOM 0 H GLY A 54 4.068 0.600 -7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.443 -1.121 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.073 -0.652 -8.723 1.00 0.00 H new ATOM 830 N PHE A 55 4.652 -2.657 -6.554 1.00 0.00 N ATOM 831 CA PHE A 55 4.888 -4.014 -6.005 1.00 0.00 C ATOM 832 C PHE A 55 3.546 -4.741 -5.886 1.00 0.00 C ATOM 833 O PHE A 55 3.387 -5.845 -6.367 1.00 0.00 O ATOM 834 CB PHE A 55 5.567 -3.902 -4.628 1.00 0.00 C ATOM 835 CG PHE A 55 5.139 -5.049 -3.735 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.059 -6.352 -4.244 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.793 -4.799 -2.406 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.632 -7.398 -3.424 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.373 -5.849 -1.587 1.00 0.00 C ATOM 840 CZ PHE A 55 4.288 -7.148 -2.096 1.00 0.00 C ATOM 0 H PHE A 55 4.682 -1.897 -5.874 1.00 0.00 H new ATOM 0 HA PHE A 55 5.543 -4.579 -6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.650 -3.910 -4.748 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.305 -2.952 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.328 -6.547 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.850 -3.795 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.568 -8.401 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.113 -5.657 -0.557 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.956 -7.957 -1.462 1.00 0.00 H new ATOM 850 N CYS A 56 2.583 -4.148 -5.235 1.00 0.00 N ATOM 851 CA CYS A 56 1.279 -4.840 -5.085 1.00 0.00 C ATOM 852 C CYS A 56 0.763 -5.271 -6.453 1.00 0.00 C ATOM 853 O CYS A 56 0.183 -6.318 -6.599 1.00 0.00 O ATOM 854 CB CYS A 56 0.285 -3.894 -4.432 1.00 0.00 C ATOM 855 SG CYS A 56 0.616 -3.834 -2.654 1.00 0.00 S ATOM 0 H CYS A 56 2.644 -3.225 -4.806 1.00 0.00 H new ATOM 0 HA CYS A 56 1.404 -5.725 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.372 -2.898 -4.866 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.735 -4.233 -4.615 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.215 -4.616 -2.031 1.00 0.00 H new ATOM 861 N THR A 57 0.970 -4.474 -7.455 1.00 0.00 N ATOM 862 CA THR A 57 0.479 -4.853 -8.810 1.00 0.00 C ATOM 863 C THR A 57 1.234 -6.085 -9.316 1.00 0.00 C ATOM 864 O THR A 57 0.700 -6.897 -10.044 1.00 0.00 O ATOM 865 CB THR A 57 0.715 -3.694 -9.775 1.00 0.00 C ATOM 866 OG1 THR A 57 0.179 -2.500 -9.221 1.00 0.00 O ATOM 867 CG2 THR A 57 0.029 -3.998 -11.106 1.00 0.00 C ATOM 0 H THR A 57 1.456 -3.579 -7.400 1.00 0.00 H new ATOM 0 HA THR A 57 -0.585 -5.080 -8.752 1.00 0.00 H new ATOM 0 HB THR A 57 1.785 -3.565 -9.940 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.332 -1.755 -9.839 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.195 -3.172 -11.798 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.443 -4.914 -11.528 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.041 -4.125 -10.943 1.00 0.00 H new ATOM 875 N PHE A 58 2.478 -6.214 -8.954 1.00 0.00 N ATOM 876 CA PHE A 58 3.285 -7.376 -9.430 1.00 0.00 C ATOM 877 C PHE A 58 2.855 -8.676 -8.738 1.00 0.00 C ATOM 878 O PHE A 58 2.960 -9.744 -9.307 1.00 0.00 O ATOM 879 CB PHE A 58 4.763 -7.115 -9.129 1.00 0.00 C ATOM 880 CG PHE A 58 5.618 -7.850 -10.133 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.649 -9.250 -10.135 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.383 -7.132 -11.060 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.443 -9.931 -11.065 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.176 -7.813 -11.991 1.00 0.00 C ATOM 885 CZ PHE A 58 7.207 -9.213 -11.993 1.00 0.00 C ATOM 0 H PHE A 58 2.975 -5.563 -8.346 1.00 0.00 H new ATOM 0 HA PHE A 58 3.125 -7.489 -10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.971 -6.046 -9.172 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.004 -7.446 -8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.060 -9.804 -9.419 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.361 -6.052 -11.057 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.466 -11.011 -11.067 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.764 -7.259 -12.708 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.820 -9.739 -12.710 1.00 0.00 H new ATOM 895 N MET A 59 2.398 -8.615 -7.516 1.00 0.00 N ATOM 896 CA MET A 59 2.003 -9.878 -6.819 1.00 0.00 C ATOM 897 C MET A 59 0.524 -10.215 -7.048 1.00 0.00 C ATOM 898 O MET A 59 0.004 -11.147 -6.470 1.00 0.00 O ATOM 899 CB MET A 59 2.287 -9.755 -5.330 1.00 0.00 C ATOM 900 CG MET A 59 3.696 -10.275 -5.041 1.00 0.00 C ATOM 901 SD MET A 59 3.829 -10.725 -3.292 1.00 0.00 S ATOM 902 CE MET A 59 3.537 -12.499 -3.491 1.00 0.00 C ATOM 0 H MET A 59 2.281 -7.759 -6.974 1.00 0.00 H new ATOM 0 HA MET A 59 2.595 -10.692 -7.238 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.199 -8.715 -5.016 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.553 -10.324 -4.760 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.911 -11.141 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 59 4.434 -9.512 -5.288 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.575 -12.986 -2.516 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.556 -12.658 -3.938 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.304 -12.924 -4.139 1.00 0.00 H new ATOM 912 N GLU A 60 -0.149 -9.483 -7.900 1.00 0.00 N ATOM 913 CA GLU A 60 -1.590 -9.783 -8.192 1.00 0.00 C ATOM 914 C GLU A 60 -2.509 -9.142 -7.146 1.00 0.00 C ATOM 915 O GLU A 60 -3.610 -9.598 -6.915 1.00 0.00 O ATOM 916 CB GLU A 60 -1.816 -11.298 -8.209 1.00 0.00 C ATOM 917 CG GLU A 60 -2.689 -11.671 -9.409 1.00 0.00 C ATOM 918 CD GLU A 60 -2.032 -12.818 -10.180 1.00 0.00 C ATOM 919 OE1 GLU A 60 -0.929 -12.626 -10.662 1.00 0.00 O ATOM 920 OE2 GLU A 60 -2.644 -13.869 -10.273 1.00 0.00 O ATOM 0 H GLU A 60 0.236 -8.687 -8.409 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.831 -9.364 -9.169 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.860 -11.818 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.297 -11.615 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.682 -11.967 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.818 -10.807 -10.061 1.00 0.00 H new ATOM 927 N HIS A 61 -2.074 -8.082 -6.530 1.00 0.00 N ATOM 928 CA HIS A 61 -2.914 -7.393 -5.521 1.00 0.00 C ATOM 929 C HIS A 61 -3.619 -6.222 -6.204 1.00 0.00 C ATOM 930 O HIS A 61 -3.367 -5.934 -7.357 1.00 0.00 O ATOM 931 CB HIS A 61 -2.015 -6.876 -4.404 1.00 0.00 C ATOM 932 CG HIS A 61 -1.152 -8.001 -3.917 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.393 -9.316 -4.279 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.046 -8.031 -3.106 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.454 -10.076 -3.694 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.394 -9.344 -2.964 1.00 0.00 N ATOM 0 H HIS A 61 -1.159 -7.659 -6.686 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.653 -8.075 -5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.396 -6.056 -4.767 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.618 -6.482 -3.586 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.147 -9.647 -4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.413 -7.168 -2.648 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.391 -11.149 -3.800 1.00 0.00 H new ATOM 944 N GLU A 62 -4.507 -5.548 -5.528 1.00 0.00 N ATOM 945 CA GLU A 62 -5.209 -4.421 -6.190 1.00 0.00 C ATOM 946 C GLU A 62 -5.016 -3.135 -5.409 1.00 0.00 C ATOM 947 O GLU A 62 -5.085 -3.109 -4.200 1.00 0.00 O ATOM 948 CB GLU A 62 -6.701 -4.716 -6.260 1.00 0.00 C ATOM 949 CG GLU A 62 -7.027 -5.434 -7.571 1.00 0.00 C ATOM 950 CD GLU A 62 -7.125 -4.409 -8.702 1.00 0.00 C ATOM 951 OE1 GLU A 62 -7.956 -3.522 -8.601 1.00 0.00 O ATOM 952 OE2 GLU A 62 -6.367 -4.530 -9.651 1.00 0.00 O ATOM 0 H GLU A 62 -4.772 -5.727 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.794 -4.305 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.999 -5.334 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.268 -3.788 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.255 -6.169 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.967 -5.978 -7.476 1.00 0.00 H new ATOM 959 N LEU A 63 -4.839 -2.061 -6.109 1.00 0.00 N ATOM 960 CA LEU A 63 -4.709 -0.739 -5.446 1.00 0.00 C ATOM 961 C LEU A 63 -6.137 -0.246 -5.246 1.00 0.00 C ATOM 962 O LEU A 63 -6.787 0.174 -6.182 1.00 0.00 O ATOM 963 CB LEU A 63 -3.914 0.208 -6.362 1.00 0.00 C ATOM 964 CG LEU A 63 -4.307 1.670 -6.122 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.670 2.174 -4.824 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.803 2.517 -7.292 1.00 0.00 C ATOM 0 H LEU A 63 -4.778 -2.039 -7.127 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.179 -0.790 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.846 0.081 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.095 -0.054 -7.405 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.391 1.747 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.953 3.214 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.018 1.567 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.585 2.101 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.077 3.560 -7.131 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.718 2.434 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.254 2.162 -8.219 1.00 0.00 H new ATOM 978 N VAL A 64 -6.663 -0.347 -4.059 1.00 0.00 N ATOM 979 CA VAL A 64 -8.055 0.051 -3.853 1.00 0.00 C ATOM 980 C VAL A 64 -8.207 1.579 -3.930 1.00 0.00 C ATOM 981 O VAL A 64 -9.055 2.071 -4.647 1.00 0.00 O ATOM 982 CB VAL A 64 -8.485 -0.517 -2.511 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.856 -0.004 -2.165 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.556 -2.038 -2.610 1.00 0.00 C ATOM 0 H VAL A 64 -6.178 -0.690 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.701 -0.343 -4.638 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.767 -0.217 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.165 -0.411 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.834 1.084 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.565 -0.313 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.864 -2.451 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.280 -2.319 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.575 -2.431 -2.876 1.00 0.00 H new ATOM 994 N ALA A 65 -7.405 2.352 -3.235 1.00 0.00 N ATOM 995 CA ALA A 65 -7.575 3.841 -3.358 1.00 0.00 C ATOM 996 C ALA A 65 -6.229 4.569 -3.215 1.00 0.00 C ATOM 997 O ALA A 65 -5.496 4.361 -2.295 1.00 0.00 O ATOM 998 CB ALA A 65 -8.530 4.330 -2.268 1.00 0.00 C ATOM 0 H ALA A 65 -6.665 2.035 -2.609 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.981 4.060 -4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.657 5.409 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.497 3.841 -2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.118 4.089 -1.288 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.883 5.429 -4.117 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.589 6.125 -3.979 1.00 0.00 C ATOM 1006 C LYS A 66 -4.779 7.520 -3.423 1.00 0.00 C ATOM 1007 O LYS A 66 -5.827 8.126 -3.530 1.00 0.00 O ATOM 1008 CB LYS A 66 -3.935 6.245 -5.330 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.317 5.048 -6.164 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.559 5.365 -7.000 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.143 5.644 -8.445 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.107 6.596 -9.066 1.00 0.00 N ATOM 0 H LYS A 66 -6.435 5.679 -4.938 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.967 5.545 -3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.252 7.164 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.852 6.299 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.490 4.771 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.513 4.192 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.257 4.528 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.078 6.230 -6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.136 6.061 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.117 4.714 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.824 6.785 -10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.061 6.181 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.110 7.487 -8.529 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.747 8.023 -2.841 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.790 9.385 -2.265 1.00 0.00 C ATOM 1028 C GLU A 67 -2.473 10.113 -2.547 1.00 0.00 C ATOM 1029 O GLU A 67 -1.431 9.772 -2.028 1.00 0.00 O ATOM 1030 CB GLU A 67 -4.030 9.282 -0.771 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.527 9.415 -0.480 1.00 0.00 C ATOM 1032 CD GLU A 67 -6.172 8.037 -0.361 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.842 7.180 -1.158 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.998 7.868 0.521 1.00 0.00 O ATOM 0 H GLU A 67 -2.854 7.542 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.600 9.954 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.660 8.327 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.477 10.063 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.676 9.974 0.444 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.010 9.982 -1.276 1.00 0.00 H new ATOM 1041 N THR A 68 -2.525 11.121 -3.372 1.00 0.00 N ATOM 1042 CA THR A 68 -1.294 11.893 -3.705 1.00 0.00 C ATOM 1043 C THR A 68 -1.636 13.380 -3.654 1.00 0.00 C ATOM 1044 O THR A 68 -1.112 14.177 -4.407 1.00 0.00 O ATOM 1045 CB THR A 68 -0.825 11.520 -5.113 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.595 12.232 -6.071 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.001 10.016 -5.329 1.00 0.00 C ATOM 0 H THR A 68 -3.374 11.446 -3.834 1.00 0.00 H new ATOM 0 HA THR A 68 -0.499 11.666 -2.995 1.00 0.00 H new ATOM 0 HB THR A 68 0.227 11.780 -5.227 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.363 13.183 -6.035 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.667 9.751 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.409 9.471 -4.593 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.053 9.753 -5.216 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.522 13.754 -2.770 1.00 0.00 N ATOM 1056 CA ASP A 69 -2.914 15.192 -2.667 1.00 0.00 C ATOM 1057 C ASP A 69 -1.842 15.975 -1.913 1.00 0.00 C ATOM 1058 O ASP A 69 -1.989 17.149 -1.635 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.238 15.302 -1.917 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.317 14.516 -2.664 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.059 13.376 -3.012 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.385 15.068 -2.876 1.00 0.00 O ATOM 0 H ASP A 69 -2.991 13.128 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.020 15.605 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.127 14.915 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.532 16.348 -1.828 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.771 15.329 -1.586 1.00 0.00 N ATOM 1068 CA GLY A 70 0.321 15.995 -0.859 1.00 0.00 C ATOM 1069 C GLY A 70 0.801 15.084 0.249 1.00 0.00 C ATOM 1070 O GLY A 70 0.043 14.609 1.071 1.00 0.00 O ATOM 0 H GLY A 70 -0.605 14.345 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.141 16.225 -1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.025 16.942 -0.445 1.00 0.00 H new ATOM 1074 N LEU A 71 2.058 14.838 0.246 1.00 0.00 N ATOM 1075 CA LEU A 71 2.671 13.949 1.264 1.00 0.00 C ATOM 1076 C LEU A 71 1.998 14.142 2.632 1.00 0.00 C ATOM 1077 O LEU A 71 1.574 15.228 2.973 1.00 0.00 O ATOM 1078 CB LEU A 71 4.160 14.263 1.401 1.00 0.00 C ATOM 1079 CG LEU A 71 4.904 13.788 0.164 1.00 0.00 C ATOM 1080 CD1 LEU A 71 6.105 14.699 -0.094 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.391 12.357 0.391 1.00 0.00 C ATOM 0 H LEU A 71 2.715 15.221 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 71 2.534 12.918 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.304 15.335 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.563 13.775 2.288 1.00 0.00 H new ATOM 0 HG LEU A 71 4.237 13.818 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.637 14.357 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.760 15.721 -0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.775 14.669 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.926 12.010 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.059 12.332 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.536 11.707 0.576 1.00 0.00 H new ATOM 1093 N PRO A 72 1.951 13.067 3.372 1.00 0.00 N ATOM 1094 CA PRO A 72 2.478 11.781 2.913 1.00 0.00 C ATOM 1095 C PRO A 72 1.437 11.109 2.022 1.00 0.00 C ATOM 1096 O PRO A 72 0.245 11.251 2.218 1.00 0.00 O ATOM 1097 CB PRO A 72 2.653 10.974 4.183 1.00 0.00 C ATOM 1098 CG PRO A 72 1.666 11.585 5.196 1.00 0.00 C ATOM 1099 CD PRO A 72 1.383 13.029 4.729 1.00 0.00 C ATOM 0 HA PRO A 72 3.404 11.875 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.437 9.920 4.011 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.678 11.034 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.744 11.004 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.090 11.580 6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.315 13.247 4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.855 13.762 5.383 1.00 0.00 H new ATOM 1107 N TYR A 73 1.878 10.381 1.060 1.00 0.00 N ATOM 1108 CA TYR A 73 0.936 9.682 0.148 1.00 0.00 C ATOM 1109 C TYR A 73 0.248 8.543 0.876 1.00 0.00 C ATOM 1110 O TYR A 73 0.701 8.093 1.905 1.00 0.00 O ATOM 1111 CB TYR A 73 1.689 9.035 -0.986 1.00 0.00 C ATOM 1112 CG TYR A 73 2.811 9.902 -1.443 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.575 10.992 -2.280 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.097 9.567 -1.062 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.649 11.763 -2.727 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.180 10.319 -1.510 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.958 11.427 -2.345 1.00 0.00 C ATOM 1118 OH TYR A 73 6.025 12.177 -2.795 1.00 0.00 O ATOM 0 H TYR A 73 2.866 10.231 0.855 1.00 0.00 H new ATOM 0 HA TYR A 73 0.224 10.426 -0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.078 8.069 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.010 8.845 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.567 11.238 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.262 8.719 -0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.474 12.616 -3.365 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.185 10.052 -1.217 1.00 0.00 H new ATOM 0 HH TYR A 73 6.856 11.828 -2.410 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.803 8.021 0.313 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.465 6.869 0.928 1.00 0.00 C ATOM 1130 C ARG A 74 -2.062 6.050 -0.181 1.00 0.00 C ATOM 1131 O ARG A 74 -2.405 6.555 -1.217 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.540 7.317 1.888 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.914 7.517 3.253 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.659 8.615 4.014 1.00 0.00 C ATOM 1135 NE ARG A 74 -1.762 9.791 4.196 1.00 0.00 N ATOM 1136 CZ ARG A 74 -2.052 10.702 5.084 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -1.903 10.447 6.354 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -2.494 11.869 4.700 1.00 0.00 N ATOM 0 H ARG A 74 -1.226 8.354 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.747 6.281 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.995 8.245 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.334 6.572 1.941 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.947 6.585 3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.864 7.787 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.554 8.909 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.987 8.241 4.984 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.921 9.884 3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.559 9.535 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.130 11.160 7.047 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.612 12.068 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.721 12.582 5.393 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.180 4.791 0.016 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.736 3.946 -1.052 1.00 0.00 C ATOM 1154 C TYR A 75 -3.366 2.724 -0.432 1.00 0.00 C ATOM 1155 O TYR A 75 -2.723 1.999 0.299 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.633 3.472 -1.983 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.499 4.458 -2.018 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.598 5.654 -2.729 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.673 4.129 -1.370 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.499 6.522 -2.793 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.774 4.993 -1.415 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.687 6.191 -2.133 1.00 0.00 C ATOM 1163 OH TYR A 75 2.777 7.034 -2.203 1.00 0.00 O ATOM 0 H TYR A 75 -1.916 4.302 0.872 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.467 4.530 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.265 2.501 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.033 3.336 -2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.520 5.910 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.742 3.199 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.428 7.444 -3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.687 4.736 -0.898 1.00 0.00 H new ATOM 0 HH TYR A 75 3.497 6.686 -1.636 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.592 2.445 -0.724 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.164 1.247 -0.155 1.00 0.00 C ATOM 1175 C LEU A 76 -4.872 0.124 -1.130 1.00 0.00 C ATOM 1176 O LEU A 76 -4.747 0.362 -2.313 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.663 1.345 -0.012 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.160 0.034 0.567 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.835 -0.027 2.057 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.651 -0.050 0.345 1.00 0.00 C ATOM 0 H LEU A 76 -5.204 2.996 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.739 1.086 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.931 2.177 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.127 1.536 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.671 -0.808 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.194 -0.970 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.756 0.044 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.323 0.802 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.028 -0.987 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.141 0.787 0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.863 -0.011 -0.724 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.780 -1.086 -0.688 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.522 -2.165 -1.650 1.00 0.00 C ATOM 1194 C ILE A 77 -5.268 -3.426 -1.228 1.00 0.00 C ATOM 1195 O ILE A 77 -4.899 -4.085 -0.275 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.025 -2.420 -1.681 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.312 -1.075 -1.868 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.688 -3.372 -2.832 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.886 -1.291 -2.377 1.00 0.00 C ATOM 0 H ILE A 77 -4.871 -1.370 0.287 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.871 -1.882 -2.643 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.697 -2.882 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.867 -0.458 -2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.289 -0.534 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.613 -3.553 -2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.213 -4.317 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.998 -2.925 -3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.395 -0.326 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.329 -1.889 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.916 -1.811 -3.334 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.319 -3.775 -1.924 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.072 -5.001 -1.538 1.00 0.00 C ATOM 1213 C ARG A 78 -6.253 -6.235 -1.922 1.00 0.00 C ATOM 1214 O ARG A 78 -5.983 -6.477 -3.081 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.417 -5.031 -2.269 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.040 -6.424 -2.144 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.476 -6.296 -1.631 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.220 -5.325 -2.479 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.108 -5.752 -3.334 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.966 -6.670 -2.980 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -12.140 -5.262 -4.543 1.00 0.00 N ATOM 0 H ARG A 78 -6.683 -3.271 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.249 -4.998 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.088 -4.283 -1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.277 -4.778 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.031 -6.926 -3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.452 -7.037 -1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.970 -7.268 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.475 -5.963 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.036 -4.326 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.942 -7.053 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.660 -7.004 -3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.470 -4.544 -4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.835 -5.597 -5.211 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.869 -7.029 -0.956 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.085 -8.252 -1.267 1.00 0.00 C ATOM 1237 C LYS A 79 -5.967 -9.155 -2.104 1.00 0.00 C ATOM 1238 O LYS A 79 -6.897 -9.738 -1.600 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.710 -8.969 0.030 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.212 -10.380 -0.289 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.094 -10.301 -1.330 1.00 0.00 C ATOM 1242 CE LYS A 79 -3.570 -10.934 -2.639 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.800 -12.184 -2.894 1.00 0.00 N ATOM 0 H LYS A 79 -6.067 -6.880 0.033 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.170 -7.996 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.936 -8.410 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.574 -9.019 0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.846 -10.862 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.032 -10.991 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.812 -9.262 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.206 -10.818 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.636 -11.156 -2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.434 -10.235 -3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.777 -12.375 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.828 -12.071 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.257 -12.979 -2.403 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.700 -9.254 -3.377 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.541 -10.115 -4.254 1.00 0.00 C ATOM 1259 C GLY A 80 -6.240 -9.793 -5.717 1.00 0.00 C ATOM 1260 O GLY A 80 -5.604 -8.807 -6.027 1.00 0.00 O ATOM 0 H GLY A 80 -4.933 -8.774 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.339 -11.167 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.597 -9.947 -4.043 1.00 0.00 H new ATOM 1264 N GLY A 81 -6.699 -10.614 -6.616 1.00 0.00 N ATOM 1265 CA GLY A 81 -6.446 -10.356 -8.063 1.00 0.00 C ATOM 1266 C GLY A 81 -6.772 -11.614 -8.869 1.00 0.00 C ATOM 1267 O GLY A 81 -6.754 -11.534 -10.087 1.00 0.00 O ATOM 1268 OXT GLY A 81 -7.032 -12.636 -8.257 1.00 0.00 O ATOM 0 H GLY A 81 -7.240 -11.455 -6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.058 -9.522 -8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.405 -10.072 -8.216 1.00 0.00 H new TER 1272 GLY A 81