USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 92 ZNZN :(H bumps) USER MOD Set 1.1: A 48 THR OG1 : rot 180:sc= 1.06 USER MOD Set 1.2: A 51 THR OG1 : rot 121:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0347 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 3 MET CE :methyl 162:sc=-0.00947 (180deg=-0.148) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc=-0.00377 X(o=-0.0038,f=-0.15) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -93:sc= -0.2 USER MOD Single : A 18 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.204! X(o=-0.2!,f=-0.35) USER MOD Single : A 26 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.29) USER MOD Single : A 28 TYR OH : rot 160:sc= 0.904 USER MOD Single : A 32 LYS NZ :NH3+ 147:sc= -0.36 (180deg=-1.36!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.172 USER MOD Single : A 55 GLN : amide:sc= 0.0983 X(o=0.098,f=-0.12) USER MOD Single : A 60 SER OG : rot -82:sc= 1.33 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= 1.27 (180deg=-0.54) USER MOD Single : A 79 THR OG1 : rot 91:sc= 1.4 USER MOD Single : A 82 LYS NZ :NH3+ -151:sc= 1.08 (180deg=0.383) USER MOD Single : A 83 GLN : amide:sc= 1.53 K(o=1.5,f=-7.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0.497) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.615 -8.216 11.787 1.00 0.00 N ATOM 2 CA GLY A 1 7.845 -9.361 10.875 1.00 0.00 C ATOM 3 C GLY A 1 9.246 -9.913 11.008 1.00 0.00 C ATOM 4 O GLY A 1 10.178 -9.179 11.331 1.00 0.00 O ATOM 0 H1 GLY A 1 7.025 -8.522 12.587 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.528 -7.867 12.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.131 -7.454 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.122 -10.148 11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.675 -9.045 9.846 1.00 0.00 H new ATOM 10 N SER A 2 9.395 -11.206 10.766 1.00 0.00 N ATOM 11 CA SER A 2 10.687 -11.862 10.884 1.00 0.00 C ATOM 12 C SER A 2 11.373 -11.963 9.524 1.00 0.00 C ATOM 13 O SER A 2 12.600 -11.934 9.433 1.00 0.00 O ATOM 14 CB SER A 2 10.504 -13.255 11.482 1.00 0.00 C ATOM 15 OG SER A 2 9.125 -13.557 11.653 1.00 0.00 O ATOM 0 H SER A 2 8.633 -11.824 10.486 1.00 0.00 H new ATOM 0 HA SER A 2 11.320 -11.265 11.541 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.965 -13.998 10.831 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.015 -13.312 12.443 1.00 0.00 H new ATOM 0 HG SER A 2 9.032 -14.454 12.036 1.00 0.00 H new ATOM 21 N MET A 3 10.576 -12.065 8.472 1.00 0.00 N ATOM 22 CA MET A 3 11.101 -12.221 7.122 1.00 0.00 C ATOM 23 C MET A 3 11.272 -10.858 6.459 1.00 0.00 C ATOM 24 O MET A 3 10.403 -9.992 6.590 1.00 0.00 O ATOM 25 CB MET A 3 10.160 -13.106 6.293 1.00 0.00 C ATOM 26 CG MET A 3 10.438 -13.082 4.796 1.00 0.00 C ATOM 27 SD MET A 3 11.357 -14.529 4.232 1.00 0.00 S ATOM 28 CE MET A 3 10.099 -15.799 4.357 1.00 0.00 C ATOM 0 H MET A 3 9.558 -12.043 8.527 1.00 0.00 H new ATOM 0 HA MET A 3 12.078 -12.702 7.177 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.238 -14.133 6.649 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.132 -12.786 6.466 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.493 -13.025 4.256 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.001 -12.181 4.550 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.393 -16.662 3.760 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.988 -16.100 5.399 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.150 -15.409 3.989 1.00 0.00 H new ATOM 38 N PRO A 4 12.410 -10.639 5.767 1.00 0.00 N ATOM 39 CA PRO A 4 12.651 -9.424 4.984 1.00 0.00 C ATOM 40 C PRO A 4 11.486 -9.141 4.040 1.00 0.00 C ATOM 41 O PRO A 4 11.343 -9.774 2.995 1.00 0.00 O ATOM 42 CB PRO A 4 13.934 -9.732 4.193 1.00 0.00 C ATOM 43 CG PRO A 4 14.187 -11.191 4.387 1.00 0.00 C ATOM 44 CD PRO A 4 13.555 -11.554 5.700 1.00 0.00 C ATOM 0 HA PRO A 4 12.750 -8.539 5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.810 -9.493 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.771 -9.137 4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.755 -11.773 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.256 -11.403 4.398 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.242 -12.598 5.724 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.241 -11.407 6.534 1.00 0.00 H new ATOM 52 N THR A 5 10.650 -8.199 4.432 1.00 0.00 N ATOM 53 CA THR A 5 9.405 -7.943 3.739 1.00 0.00 C ATOM 54 C THR A 5 9.614 -7.140 2.458 1.00 0.00 C ATOM 55 O THR A 5 10.211 -6.063 2.468 1.00 0.00 O ATOM 56 CB THR A 5 8.432 -7.205 4.669 1.00 0.00 C ATOM 57 OG1 THR A 5 8.902 -7.305 6.024 1.00 0.00 O ATOM 58 CG2 THR A 5 7.030 -7.790 4.566 1.00 0.00 C ATOM 0 H THR A 5 10.815 -7.593 5.236 1.00 0.00 H new ATOM 0 HA THR A 5 8.983 -8.907 3.454 1.00 0.00 H new ATOM 0 HB THR A 5 8.387 -6.158 4.368 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.284 -6.833 6.620 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.360 -7.249 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.672 -7.698 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.053 -8.842 4.849 1.00 0.00 H new ATOM 66 N THR A 6 9.151 -7.697 1.355 1.00 0.00 N ATOM 67 CA THR A 6 9.158 -7.005 0.083 1.00 0.00 C ATOM 68 C THR A 6 7.741 -6.601 -0.305 1.00 0.00 C ATOM 69 O THR A 6 6.850 -7.451 -0.402 1.00 0.00 O ATOM 70 CB THR A 6 9.754 -7.895 -1.021 1.00 0.00 C ATOM 71 OG1 THR A 6 10.273 -9.100 -0.439 1.00 0.00 O ATOM 72 CG2 THR A 6 10.855 -7.161 -1.776 1.00 0.00 C ATOM 0 H THR A 6 8.761 -8.639 1.317 1.00 0.00 H new ATOM 0 HA THR A 6 9.775 -6.113 0.189 1.00 0.00 H new ATOM 0 HB THR A 6 8.966 -8.145 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.651 -9.667 -1.143 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.260 -7.811 -2.551 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.444 -6.262 -2.235 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.649 -6.884 -1.083 1.00 0.00 H new ATOM 80 N CYS A 7 7.527 -5.306 -0.497 1.00 0.00 N ATOM 81 CA CYS A 7 6.225 -4.808 -0.891 1.00 0.00 C ATOM 82 C CYS A 7 5.930 -5.181 -2.337 1.00 0.00 C ATOM 83 O CYS A 7 6.838 -5.451 -3.128 1.00 0.00 O ATOM 84 CB CYS A 7 6.113 -3.298 -0.643 1.00 0.00 C ATOM 85 SG CYS A 7 6.387 -2.222 -2.088 1.00 0.00 S ATOM 0 H CYS A 7 8.240 -4.586 -0.385 1.00 0.00 H new ATOM 0 HA CYS A 7 5.465 -5.283 -0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.120 -3.089 -0.244 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.831 -3.024 0.129 1.00 0.00 H new ATOM 90 N GLY A 8 4.653 -5.203 -2.660 1.00 0.00 N ATOM 91 CA GLY A 8 4.206 -5.772 -3.911 1.00 0.00 C ATOM 92 C GLY A 8 4.004 -4.736 -4.987 1.00 0.00 C ATOM 93 O GLY A 8 3.227 -4.946 -5.919 1.00 0.00 O ATOM 0 H GLY A 8 3.907 -4.832 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.936 -6.506 -4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.270 -6.306 -3.748 1.00 0.00 H new ATOM 97 N PHE A 9 4.693 -3.618 -4.861 1.00 0.00 N ATOM 98 CA PHE A 9 4.637 -2.585 -5.870 1.00 0.00 C ATOM 99 C PHE A 9 5.479 -2.995 -7.071 1.00 0.00 C ATOM 100 O PHE A 9 6.538 -3.605 -6.908 1.00 0.00 O ATOM 101 CB PHE A 9 5.134 -1.262 -5.292 1.00 0.00 C ATOM 102 CG PHE A 9 4.120 -0.160 -5.380 1.00 0.00 C ATOM 103 CD1 PHE A 9 3.103 -0.064 -4.444 1.00 0.00 C ATOM 104 CD2 PHE A 9 4.179 0.774 -6.400 1.00 0.00 C ATOM 105 CE1 PHE A 9 2.163 0.944 -4.522 1.00 0.00 C ATOM 106 CE2 PHE A 9 3.241 1.785 -6.485 1.00 0.00 C ATOM 107 CZ PHE A 9 2.232 1.871 -5.544 1.00 0.00 C ATOM 0 H PHE A 9 5.298 -3.404 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 9 3.605 -2.453 -6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.410 -1.410 -4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 9 6.038 -0.959 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.045 -0.787 -3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.966 0.712 -7.137 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.375 1.008 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.296 2.507 -7.286 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.499 2.662 -5.608 1.00 0.00 H new ATOM 117 N PRO A 10 5.011 -2.694 -8.296 1.00 0.00 N ATOM 118 CA PRO A 10 5.755 -3.006 -9.522 1.00 0.00 C ATOM 119 C PRO A 10 7.135 -2.371 -9.512 1.00 0.00 C ATOM 120 O PRO A 10 8.088 -2.889 -10.095 1.00 0.00 O ATOM 121 CB PRO A 10 4.894 -2.406 -10.636 1.00 0.00 C ATOM 122 CG PRO A 10 3.529 -2.302 -10.052 1.00 0.00 C ATOM 123 CD PRO A 10 3.723 -2.044 -8.585 1.00 0.00 C ATOM 0 HA PRO A 10 5.924 -4.076 -9.641 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.268 -1.429 -10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.897 -3.040 -11.523 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.966 -1.494 -10.519 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.964 -3.220 -10.215 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.752 -0.977 -8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.915 -2.470 -7.991 1.00 0.00 H new ATOM 131 N ASN A 11 7.222 -1.248 -8.833 1.00 0.00 N ATOM 132 CA ASN A 11 8.478 -0.547 -8.643 1.00 0.00 C ATOM 133 C ASN A 11 8.424 0.255 -7.353 1.00 0.00 C ATOM 134 O ASN A 11 7.927 1.385 -7.334 1.00 0.00 O ATOM 135 CB ASN A 11 8.775 0.380 -9.830 1.00 0.00 C ATOM 136 CG ASN A 11 10.169 0.984 -9.768 1.00 0.00 C ATOM 137 OD1 ASN A 11 10.432 1.908 -8.999 1.00 0.00 O ATOM 138 ND2 ASN A 11 11.072 0.469 -10.587 1.00 0.00 N ATOM 0 H ASN A 11 6.422 -0.792 -8.395 1.00 0.00 H new ATOM 0 HA ASN A 11 9.280 -1.282 -8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.667 -0.180 -10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.037 1.182 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.023 0.838 -10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.817 -0.297 -11.211 1.00 0.00 H new ATOM 145 N CYS A 12 8.887 -0.347 -6.264 1.00 0.00 N ATOM 146 CA CYS A 12 8.978 0.362 -5.005 1.00 0.00 C ATOM 147 C CYS A 12 10.163 1.314 -5.043 1.00 0.00 C ATOM 148 O CYS A 12 11.312 0.915 -4.834 1.00 0.00 O ATOM 149 CB CYS A 12 9.115 -0.597 -3.820 1.00 0.00 C ATOM 150 SG CYS A 12 9.122 0.249 -2.205 1.00 0.00 S ATOM 0 H CYS A 12 9.202 -1.317 -6.232 1.00 0.00 H new ATOM 0 HA CYS A 12 8.054 0.924 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.293 -1.313 -3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.038 -1.167 -3.928 1.00 0.00 H new ATOM 155 N LYS A 13 9.872 2.569 -5.325 1.00 0.00 N ATOM 156 CA LYS A 13 10.895 3.596 -5.404 1.00 0.00 C ATOM 157 C LYS A 13 11.166 4.195 -4.030 1.00 0.00 C ATOM 158 O LYS A 13 11.907 5.167 -3.905 1.00 0.00 O ATOM 159 CB LYS A 13 10.462 4.692 -6.380 1.00 0.00 C ATOM 160 CG LYS A 13 9.247 5.480 -5.915 1.00 0.00 C ATOM 161 CD LYS A 13 8.483 6.067 -7.087 1.00 0.00 C ATOM 162 CE LYS A 13 9.155 7.321 -7.617 1.00 0.00 C ATOM 163 NZ LYS A 13 9.435 7.229 -9.072 1.00 0.00 N ATOM 0 H LYS A 13 8.926 2.905 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 13 11.816 3.139 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.294 5.380 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.242 4.239 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.589 4.829 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.565 6.282 -5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.412 5.327 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.464 6.302 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.517 8.183 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.088 7.488 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.894 8.105 -9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.065 6.422 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.543 7.096 -9.589 1.00 0.00 H new ATOM 177 N PHE A 14 10.569 3.608 -3.000 1.00 0.00 N ATOM 178 CA PHE A 14 10.679 4.156 -1.659 1.00 0.00 C ATOM 179 C PHE A 14 11.723 3.419 -0.833 1.00 0.00 C ATOM 180 O PHE A 14 12.537 4.049 -0.160 1.00 0.00 O ATOM 181 CB PHE A 14 9.324 4.146 -0.960 1.00 0.00 C ATOM 182 CG PHE A 14 8.618 5.461 -1.084 1.00 0.00 C ATOM 183 CD1 PHE A 14 8.854 6.475 -0.171 1.00 0.00 C ATOM 184 CD2 PHE A 14 7.736 5.688 -2.125 1.00 0.00 C ATOM 185 CE1 PHE A 14 8.220 7.696 -0.294 1.00 0.00 C ATOM 186 CE2 PHE A 14 7.102 6.905 -2.258 1.00 0.00 C ATOM 187 CZ PHE A 14 7.343 7.911 -1.340 1.00 0.00 C ATOM 0 H PHE A 14 10.008 2.759 -3.069 1.00 0.00 H new ATOM 0 HA PHE A 14 11.011 5.190 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.702 3.359 -1.387 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.462 3.907 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.541 6.309 0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.542 4.903 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.409 8.480 0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.419 7.072 -3.077 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.846 8.864 -1.441 1.00 0.00 H new ATOM 197 N ARG A 15 11.723 2.093 -0.888 1.00 0.00 N ATOM 198 CA ARG A 15 12.751 1.331 -0.189 1.00 0.00 C ATOM 199 C ARG A 15 14.071 1.425 -0.949 1.00 0.00 C ATOM 200 O ARG A 15 15.138 1.118 -0.415 1.00 0.00 O ATOM 201 CB ARG A 15 12.334 -0.129 -0.001 1.00 0.00 C ATOM 202 CG ARG A 15 11.272 -0.314 1.072 1.00 0.00 C ATOM 203 CD ARG A 15 10.892 -1.776 1.236 1.00 0.00 C ATOM 204 NE ARG A 15 9.901 -2.199 0.243 1.00 0.00 N ATOM 205 CZ ARG A 15 10.163 -3.038 -0.764 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.333 -3.670 -0.807 1.00 0.00 N ATOM 207 NH2 ARG A 15 9.242 -3.294 -1.696 1.00 0.00 N ATOM 0 H ARG A 15 11.039 1.533 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 15 12.882 1.761 0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.957 -0.517 -0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.212 -0.720 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.641 0.075 2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.386 0.266 0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.784 -2.395 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.494 -1.937 2.238 1.00 0.00 H new ATOM 0 HE ARG A 15 8.953 -1.831 0.325 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.025 -3.513 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.538 -4.311 -1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.326 -2.847 -1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.454 -3.936 -2.460 1.00 0.00 H new ATOM 221 N SER A 16 13.982 1.860 -2.203 1.00 0.00 N ATOM 222 CA SER A 16 15.161 2.130 -3.011 1.00 0.00 C ATOM 223 C SER A 16 15.587 3.587 -2.843 1.00 0.00 C ATOM 224 O SER A 16 16.726 3.953 -3.133 1.00 0.00 O ATOM 225 CB SER A 16 14.875 1.830 -4.485 1.00 0.00 C ATOM 226 OG SER A 16 13.600 2.321 -4.863 1.00 0.00 O ATOM 0 H SER A 16 13.098 2.033 -2.681 1.00 0.00 H new ATOM 0 HA SER A 16 15.972 1.484 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.644 2.285 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.921 0.755 -4.657 1.00 0.00 H new ATOM 0 HG SER A 16 12.933 1.610 -4.763 1.00 0.00 H new ATOM 232 N ARG A 17 14.651 4.415 -2.373 1.00 0.00 N ATOM 233 CA ARG A 17 14.926 5.822 -2.090 1.00 0.00 C ATOM 234 C ARG A 17 15.861 5.927 -0.896 1.00 0.00 C ATOM 235 O ARG A 17 16.586 6.911 -0.732 1.00 0.00 O ATOM 236 CB ARG A 17 13.621 6.570 -1.792 1.00 0.00 C ATOM 237 CG ARG A 17 13.498 7.913 -2.492 1.00 0.00 C ATOM 238 CD ARG A 17 12.042 8.343 -2.623 1.00 0.00 C ATOM 239 NE ARG A 17 11.737 8.865 -3.959 1.00 0.00 N ATOM 240 CZ ARG A 17 10.547 9.354 -4.322 1.00 0.00 C ATOM 241 NH1 ARG A 17 9.551 9.411 -3.446 1.00 0.00 N ATOM 242 NH2 ARG A 17 10.356 9.795 -5.560 1.00 0.00 N ATOM 0 H ARG A 17 13.691 4.131 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 17 15.397 6.273 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.780 5.942 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.542 6.725 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.053 8.667 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.951 7.852 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.393 7.493 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.822 9.107 -1.877 1.00 0.00 H new ATOM 0 HE ARG A 17 12.481 8.854 -4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.692 9.081 -2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.645 9.785 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.118 9.761 -6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 17 9.447 10.168 -5.834 1.00 0.00 H new ATOM 256 N TYR A 18 15.827 4.897 -0.064 1.00 0.00 N ATOM 257 CA TYR A 18 16.673 4.822 1.110 1.00 0.00 C ATOM 258 C TYR A 18 17.950 4.058 0.780 1.00 0.00 C ATOM 259 O TYR A 18 17.995 3.299 -0.191 1.00 0.00 O ATOM 260 CB TYR A 18 15.927 4.142 2.257 1.00 0.00 C ATOM 261 CG TYR A 18 14.643 4.841 2.653 1.00 0.00 C ATOM 262 CD1 TYR A 18 14.487 6.209 2.474 1.00 0.00 C ATOM 263 CD2 TYR A 18 13.589 4.128 3.203 1.00 0.00 C ATOM 264 CE1 TYR A 18 13.319 6.846 2.835 1.00 0.00 C ATOM 265 CE2 TYR A 18 12.415 4.757 3.567 1.00 0.00 C ATOM 266 CZ TYR A 18 12.284 6.116 3.380 1.00 0.00 C ATOM 267 OH TYR A 18 11.117 6.748 3.746 1.00 0.00 O ATOM 0 H TYR A 18 15.212 4.092 -0.186 1.00 0.00 H new ATOM 0 HA TYR A 18 16.938 5.832 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 18 15.697 3.116 1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 18 16.584 4.091 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 18 15.294 6.784 2.045 1.00 0.00 H new ATOM 0 HD2 TYR A 18 13.688 3.063 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 18 13.215 7.911 2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.604 4.187 3.996 1.00 0.00 H new ATOM 0 HH TYR A 18 10.414 6.080 3.889 1.00 0.00 H new ATOM 277 N ARG A 19 18.978 4.247 1.589 1.00 0.00 N ATOM 278 CA ARG A 19 20.278 3.657 1.317 1.00 0.00 C ATOM 279 C ARG A 19 20.764 2.823 2.497 1.00 0.00 C ATOM 280 O ARG A 19 21.559 3.288 3.315 1.00 0.00 O ATOM 281 CB ARG A 19 21.293 4.756 0.998 1.00 0.00 C ATOM 282 CG ARG A 19 21.993 4.574 -0.340 1.00 0.00 C ATOM 283 CD ARG A 19 21.039 4.076 -1.414 1.00 0.00 C ATOM 284 NE ARG A 19 21.578 2.920 -2.123 1.00 0.00 N ATOM 285 CZ ARG A 19 20.921 1.773 -2.296 1.00 0.00 C ATOM 286 NH1 ARG A 19 19.704 1.608 -1.783 1.00 0.00 N ATOM 287 NH2 ARG A 19 21.487 0.787 -2.981 1.00 0.00 N ATOM 0 H ARG A 19 18.938 4.806 2.442 1.00 0.00 H new ATOM 0 HA ARG A 19 20.178 2.996 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.785 5.720 1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.043 4.786 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 19 22.430 5.522 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 19 22.814 3.866 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.085 3.811 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG A 19 20.841 4.878 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 19 22.518 2.994 -2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.267 2.362 -1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.208 0.727 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 19 22.421 0.909 -3.373 1.00 0.00 H new ATOM 0 HH22 ARG A 19 20.988 -0.092 -3.116 1.00 0.00 H new ATOM 301 N GLY A 20 20.271 1.597 2.590 1.00 0.00 N ATOM 302 CA GLY A 20 20.734 0.688 3.621 1.00 0.00 C ATOM 303 C GLY A 20 19.783 0.607 4.793 1.00 0.00 C ATOM 304 O GLY A 20 19.820 -0.348 5.569 1.00 0.00 O ATOM 0 H GLY A 20 19.558 1.214 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.863 -0.306 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 20 21.713 1.013 3.974 1.00 0.00 H new ATOM 308 N LEU A 21 18.928 1.607 4.920 1.00 0.00 N ATOM 309 CA LEU A 21 17.963 1.659 6.002 1.00 0.00 C ATOM 310 C LEU A 21 16.597 2.039 5.455 1.00 0.00 C ATOM 311 O LEU A 21 16.334 3.203 5.171 1.00 0.00 O ATOM 312 CB LEU A 21 18.404 2.666 7.068 1.00 0.00 C ATOM 313 CG LEU A 21 19.430 2.137 8.069 1.00 0.00 C ATOM 314 CD1 LEU A 21 20.364 3.252 8.516 1.00 0.00 C ATOM 315 CD2 LEU A 21 18.731 1.503 9.263 1.00 0.00 C ATOM 0 H LEU A 21 18.884 2.400 4.280 1.00 0.00 H new ATOM 0 HA LEU A 21 17.902 0.674 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.822 3.541 6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.524 3.002 7.616 1.00 0.00 H new ATOM 0 HG LEU A 21 20.029 1.370 7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 21.088 2.857 9.229 1.00 0.00 H new ATOM 0 HD12 LEU A 21 20.890 3.655 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 21 19.784 4.044 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 21 19.477 1.131 9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 21 18.106 2.248 9.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.109 0.675 8.923 1.00 0.00 H new ATOM 327 N GLU A 22 15.734 1.047 5.316 1.00 0.00 N ATOM 328 CA GLU A 22 14.396 1.248 4.768 1.00 0.00 C ATOM 329 C GLU A 22 13.429 1.737 5.846 1.00 0.00 C ATOM 330 O GLU A 22 12.210 1.641 5.687 1.00 0.00 O ATOM 331 CB GLU A 22 13.858 -0.047 4.134 1.00 0.00 C ATOM 332 CG GLU A 22 14.520 -1.334 4.626 1.00 0.00 C ATOM 333 CD GLU A 22 14.367 -1.552 6.121 1.00 0.00 C ATOM 334 OE1 GLU A 22 13.365 -2.165 6.538 1.00 0.00 O ATOM 335 OE2 GLU A 22 15.251 -1.113 6.882 1.00 0.00 O ATOM 0 H GLU A 22 15.936 0.082 5.578 1.00 0.00 H new ATOM 0 HA GLU A 22 14.472 2.011 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.787 -0.110 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.983 0.017 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.088 -2.183 4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.581 -1.308 4.376 1.00 0.00 H new ATOM 342 N ASP A 23 13.993 2.236 6.948 1.00 0.00 N ATOM 343 CA ASP A 23 13.224 2.773 8.079 1.00 0.00 C ATOM 344 C ASP A 23 12.504 1.666 8.847 1.00 0.00 C ATOM 345 O ASP A 23 11.964 1.902 9.927 1.00 0.00 O ATOM 346 CB ASP A 23 12.214 3.831 7.602 1.00 0.00 C ATOM 347 CG ASP A 23 11.538 4.565 8.745 1.00 0.00 C ATOM 348 OD1 ASP A 23 12.250 5.148 9.592 1.00 0.00 O ATOM 349 OD2 ASP A 23 10.289 4.568 8.803 1.00 0.00 O ATOM 0 H ASP A 23 15.003 2.280 7.084 1.00 0.00 H new ATOM 0 HA ASP A 23 13.934 3.246 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.726 4.553 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.454 3.348 6.988 1.00 0.00 H new ATOM 354 N ASN A 24 12.538 0.451 8.304 1.00 0.00 N ATOM 355 CA ASN A 24 11.771 -0.667 8.848 1.00 0.00 C ATOM 356 C ASN A 24 10.309 -0.262 8.972 1.00 0.00 C ATOM 357 O ASN A 24 9.647 -0.539 9.978 1.00 0.00 O ATOM 358 CB ASN A 24 12.327 -1.110 10.206 1.00 0.00 C ATOM 359 CG ASN A 24 12.619 -2.599 10.262 1.00 0.00 C ATOM 360 OD1 ASN A 24 12.446 -3.236 11.303 1.00 0.00 O ATOM 361 ND2 ASN A 24 13.076 -3.166 9.152 1.00 0.00 N ATOM 0 H ASN A 24 13.093 0.215 7.481 1.00 0.00 H new ATOM 0 HA ASN A 24 11.854 -1.515 8.168 1.00 0.00 H new ATOM 0 HB2 ASN A 24 13.242 -0.556 10.418 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.612 -0.855 10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.297 -4.162 9.142 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.206 -2.606 8.310 1.00 0.00 H new ATOM 368 N ARG A 25 9.831 0.417 7.931 1.00 0.00 N ATOM 369 CA ARG A 25 8.492 0.988 7.903 1.00 0.00 C ATOM 370 C ARG A 25 7.421 -0.078 8.117 1.00 0.00 C ATOM 371 O ARG A 25 7.620 -1.250 7.793 1.00 0.00 O ATOM 372 CB ARG A 25 8.259 1.706 6.570 1.00 0.00 C ATOM 373 CG ARG A 25 8.066 3.208 6.715 1.00 0.00 C ATOM 374 CD ARG A 25 9.020 3.993 5.820 1.00 0.00 C ATOM 375 NE ARG A 25 8.467 5.291 5.421 1.00 0.00 N ATOM 376 CZ ARG A 25 8.302 6.332 6.247 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.717 6.270 7.509 1.00 0.00 N ATOM 378 NH2 ARG A 25 7.754 7.452 5.795 1.00 0.00 N ATOM 0 H ARG A 25 10.367 0.586 7.080 1.00 0.00 H new ATOM 0 HA ARG A 25 8.416 1.704 8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.108 1.519 5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.380 1.280 6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.037 3.468 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.224 3.496 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.963 4.148 6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.244 3.407 4.929 1.00 0.00 H new ATOM 0 HE ARG A 25 8.189 5.409 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.166 5.423 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.586 7.069 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.460 7.519 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.627 8.247 6.422 1.00 0.00 H new ATOM 392 N HIS A 26 6.296 0.343 8.679 1.00 0.00 N ATOM 393 CA HIS A 26 5.169 -0.549 8.930 1.00 0.00 C ATOM 394 C HIS A 26 4.660 -1.136 7.621 1.00 0.00 C ATOM 395 O HIS A 26 4.053 -0.431 6.814 1.00 0.00 O ATOM 396 CB HIS A 26 4.023 0.203 9.620 1.00 0.00 C ATOM 397 CG HIS A 26 4.460 1.177 10.668 1.00 0.00 C ATOM 398 ND1 HIS A 26 4.944 0.767 11.888 1.00 0.00 N ATOM 399 CD2 HIS A 26 4.463 2.523 10.618 1.00 0.00 C ATOM 400 CE1 HIS A 26 5.226 1.877 12.549 1.00 0.00 C ATOM 401 NE2 HIS A 26 4.949 2.965 11.819 1.00 0.00 N ATOM 0 H HIS A 26 6.138 1.307 8.973 1.00 0.00 H new ATOM 0 HA HIS A 26 5.515 -1.351 9.582 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.449 0.737 8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.351 -0.524 10.076 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.143 3.136 9.789 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.629 1.903 13.551 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.076 3.936 12.103 1.00 0.00 H new ATOM 409 N PHE A 27 4.908 -2.415 7.407 1.00 0.00 N ATOM 410 CA PHE A 27 4.468 -3.067 6.190 1.00 0.00 C ATOM 411 C PHE A 27 2.995 -3.415 6.294 1.00 0.00 C ATOM 412 O PHE A 27 2.598 -4.288 7.068 1.00 0.00 O ATOM 413 CB PHE A 27 5.307 -4.311 5.910 1.00 0.00 C ATOM 414 CG PHE A 27 6.457 -4.034 4.990 1.00 0.00 C ATOM 415 CD1 PHE A 27 7.683 -3.632 5.494 1.00 0.00 C ATOM 416 CD2 PHE A 27 6.310 -4.166 3.620 1.00 0.00 C ATOM 417 CE1 PHE A 27 8.742 -3.366 4.648 1.00 0.00 C ATOM 418 CE2 PHE A 27 7.365 -3.899 2.769 1.00 0.00 C ATOM 419 CZ PHE A 27 8.583 -3.501 3.284 1.00 0.00 C ATOM 0 H PHE A 27 5.410 -3.020 8.058 1.00 0.00 H new ATOM 0 HA PHE A 27 4.604 -2.381 5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.687 -4.708 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.673 -5.082 5.472 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.812 -3.525 6.561 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.361 -4.481 3.212 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.693 -3.053 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.237 -4.001 1.701 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.410 -3.296 2.620 1.00 0.00 H new ATOM 429 N TYR A 28 2.193 -2.701 5.529 1.00 0.00 N ATOM 430 CA TYR A 28 0.754 -2.841 5.580 1.00 0.00 C ATOM 431 C TYR A 28 0.291 -4.049 4.791 1.00 0.00 C ATOM 432 O TYR A 28 0.781 -4.319 3.691 1.00 0.00 O ATOM 433 CB TYR A 28 0.072 -1.597 5.015 1.00 0.00 C ATOM 434 CG TYR A 28 0.086 -0.401 5.942 1.00 0.00 C ATOM 435 CD1 TYR A 28 -0.186 -0.538 7.298 1.00 0.00 C ATOM 436 CD2 TYR A 28 0.365 0.869 5.453 1.00 0.00 C ATOM 437 CE1 TYR A 28 -0.181 0.558 8.139 1.00 0.00 C ATOM 438 CE2 TYR A 28 0.372 1.970 6.287 1.00 0.00 C ATOM 439 CZ TYR A 28 0.100 1.809 7.628 1.00 0.00 C ATOM 440 OH TYR A 28 0.098 2.905 8.461 1.00 0.00 O ATOM 0 H TYR A 28 2.522 -2.009 4.856 1.00 0.00 H new ATOM 0 HA TYR A 28 0.480 -2.970 6.627 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.561 -1.323 4.080 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.962 -1.842 4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.405 -1.516 7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.580 0.998 4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.396 0.437 9.190 1.00 0.00 H new ATOM 0 HE2 TYR A 28 0.589 2.951 5.890 1.00 0.00 H new ATOM 0 HH TYR A 28 0.614 3.630 8.050 1.00 0.00 H new ATOM 450 N ARG A 29 -0.638 -4.780 5.367 1.00 0.00 N ATOM 451 CA ARG A 29 -1.346 -5.806 4.641 1.00 0.00 C ATOM 452 C ARG A 29 -2.570 -5.179 3.989 1.00 0.00 C ATOM 453 O ARG A 29 -3.162 -4.256 4.548 1.00 0.00 O ATOM 454 CB ARG A 29 -1.763 -6.938 5.579 1.00 0.00 C ATOM 455 CG ARG A 29 -1.422 -8.321 5.052 1.00 0.00 C ATOM 456 CD ARG A 29 -2.110 -8.592 3.725 1.00 0.00 C ATOM 457 NE ARG A 29 -3.565 -8.475 3.831 1.00 0.00 N ATOM 458 CZ ARG A 29 -4.366 -9.451 4.252 1.00 0.00 C ATOM 459 NH1 ARG A 29 -3.869 -10.643 4.565 1.00 0.00 N ATOM 460 NH2 ARG A 29 -5.670 -9.233 4.346 1.00 0.00 N ATOM 0 H ARG A 29 -0.920 -4.680 6.342 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.695 -6.230 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.277 -6.796 6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.838 -6.879 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.343 -8.410 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.723 -9.074 5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.743 -7.890 2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.850 -9.593 3.379 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.993 -7.588 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.867 -10.815 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.490 -11.386 4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.054 -8.322 4.096 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.289 -9.977 4.668 1.00 0.00 H new ATOM 474 N ILE A 30 -2.925 -5.653 2.803 1.00 0.00 N ATOM 475 CA ILE A 30 -4.090 -5.141 2.098 1.00 0.00 C ATOM 476 C ILE A 30 -5.354 -5.329 2.933 1.00 0.00 C ATOM 477 O ILE A 30 -5.716 -6.458 3.287 1.00 0.00 O ATOM 478 CB ILE A 30 -4.274 -5.821 0.723 1.00 0.00 C ATOM 479 CG1 ILE A 30 -2.989 -5.711 -0.102 1.00 0.00 C ATOM 480 CG2 ILE A 30 -5.436 -5.191 -0.033 1.00 0.00 C ATOM 481 CD1 ILE A 30 -2.173 -6.982 -0.129 1.00 0.00 C ATOM 0 H ILE A 30 -2.423 -6.391 2.310 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.920 -4.077 1.933 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.496 -6.875 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.247 -5.434 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.376 -4.905 0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.551 -5.683 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.353 -5.309 0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.238 -4.130 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.278 -6.827 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.884 -7.250 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.767 -7.787 -0.561 1.00 0.00 H new ATOM 493 N PRO A 31 -6.006 -4.210 3.289 1.00 0.00 N ATOM 494 CA PRO A 31 -7.267 -4.207 4.040 1.00 0.00 C ATOM 495 C PRO A 31 -8.350 -5.038 3.366 1.00 0.00 C ATOM 496 O PRO A 31 -8.353 -5.196 2.152 1.00 0.00 O ATOM 497 CB PRO A 31 -7.670 -2.731 4.035 1.00 0.00 C ATOM 498 CG PRO A 31 -6.393 -1.991 3.889 1.00 0.00 C ATOM 499 CD PRO A 31 -5.545 -2.843 2.995 1.00 0.00 C ATOM 0 HA PRO A 31 -7.147 -4.639 5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.352 -2.510 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.183 -2.458 4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.557 -1.005 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.914 -1.837 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.687 -2.588 1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.484 -2.721 3.212 1.00 0.00 H new ATOM 507 N LYS A 32 -9.268 -5.569 4.158 1.00 0.00 N ATOM 508 CA LYS A 32 -10.387 -6.323 3.615 1.00 0.00 C ATOM 509 C LYS A 32 -11.699 -5.637 3.960 1.00 0.00 C ATOM 510 O LYS A 32 -12.781 -6.146 3.678 1.00 0.00 O ATOM 511 CB LYS A 32 -10.377 -7.757 4.150 1.00 0.00 C ATOM 512 CG LYS A 32 -10.460 -8.814 3.061 1.00 0.00 C ATOM 513 CD LYS A 32 -10.213 -10.207 3.616 1.00 0.00 C ATOM 514 CE LYS A 32 -11.506 -10.872 4.059 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.530 -10.866 2.984 1.00 0.00 N ATOM 0 H LYS A 32 -9.261 -5.492 5.175 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.287 -6.360 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.466 -7.914 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.215 -7.886 4.835 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.443 -8.777 2.591 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.727 -8.596 2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.729 -10.821 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.527 -10.146 4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.301 -11.900 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.897 -10.356 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.113 -11.724 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.135 -10.026 3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.060 -10.843 2.057 1.00 0.00 H new ATOM 529 N ARG A 33 -11.581 -4.463 4.551 1.00 0.00 N ATOM 530 CA ARG A 33 -12.736 -3.698 4.992 1.00 0.00 C ATOM 531 C ARG A 33 -12.440 -2.206 4.895 1.00 0.00 C ATOM 532 O ARG A 33 -11.471 -1.723 5.484 1.00 0.00 O ATOM 533 CB ARG A 33 -13.111 -4.065 6.432 1.00 0.00 C ATOM 534 CG ARG A 33 -14.492 -3.576 6.845 1.00 0.00 C ATOM 535 CD ARG A 33 -14.653 -3.546 8.358 1.00 0.00 C ATOM 536 NE ARG A 33 -14.421 -2.212 8.909 1.00 0.00 N ATOM 537 CZ ARG A 33 -14.833 -1.817 10.113 1.00 0.00 C ATOM 538 NH1 ARG A 33 -15.543 -2.634 10.882 1.00 0.00 N ATOM 539 NH2 ARG A 33 -14.534 -0.597 10.543 1.00 0.00 N ATOM 0 H ARG A 33 -10.686 -4.012 4.739 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.578 -3.939 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.070 -5.148 6.545 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.368 -3.645 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.659 -2.577 6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.252 -4.226 6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.657 -3.877 8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.956 -4.251 8.810 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.911 -1.541 8.335 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.776 -3.571 10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.855 -2.325 11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.991 0.033 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.847 -0.290 11.464 1.00 0.00 H new ATOM 553 N PRO A 34 -13.244 -1.468 4.116 1.00 0.00 N ATOM 554 CA PRO A 34 -14.319 -2.048 3.304 1.00 0.00 C ATOM 555 C PRO A 34 -13.782 -2.789 2.078 1.00 0.00 C ATOM 556 O PRO A 34 -12.606 -2.659 1.724 1.00 0.00 O ATOM 557 CB PRO A 34 -15.139 -0.831 2.879 1.00 0.00 C ATOM 558 CG PRO A 34 -14.171 0.300 2.890 1.00 0.00 C ATOM 559 CD PRO A 34 -13.186 -0.001 3.989 1.00 0.00 C ATOM 0 HA PRO A 34 -14.894 -2.791 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.572 -0.972 1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -15.966 -0.651 3.566 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.666 0.389 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -14.680 1.246 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -12.183 0.340 3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.462 0.493 4.921 1.00 0.00 H new ATOM 567 N LEU A 35 -14.646 -3.561 1.433 1.00 0.00 N ATOM 568 CA LEU A 35 -14.252 -4.362 0.279 1.00 0.00 C ATOM 569 C LEU A 35 -13.817 -3.480 -0.889 1.00 0.00 C ATOM 570 O LEU A 35 -12.865 -3.803 -1.601 1.00 0.00 O ATOM 571 CB LEU A 35 -15.402 -5.269 -0.151 1.00 0.00 C ATOM 572 CG LEU A 35 -15.130 -6.766 0.002 1.00 0.00 C ATOM 573 CD1 LEU A 35 -16.343 -7.466 0.590 1.00 0.00 C ATOM 574 CD2 LEU A 35 -14.756 -7.376 -1.339 1.00 0.00 C ATOM 0 H LEU A 35 -15.629 -3.650 1.690 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.401 -4.976 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.286 -5.013 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.639 -5.062 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.291 -6.900 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.134 -8.531 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.567 -7.044 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.199 -7.326 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.565 -8.442 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.575 -7.234 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.859 -6.890 -1.722 1.00 0.00 H new ATOM 586 N ILE A 36 -14.511 -2.362 -1.073 1.00 0.00 N ATOM 587 CA ILE A 36 -14.192 -1.432 -2.147 1.00 0.00 C ATOM 588 C ILE A 36 -12.816 -0.797 -1.934 1.00 0.00 C ATOM 589 O ILE A 36 -12.135 -0.442 -2.896 1.00 0.00 O ATOM 590 CB ILE A 36 -15.293 -0.347 -2.300 1.00 0.00 C ATOM 591 CG1 ILE A 36 -15.721 -0.240 -3.765 1.00 0.00 C ATOM 592 CG2 ILE A 36 -14.841 1.012 -1.772 1.00 0.00 C ATOM 593 CD1 ILE A 36 -16.114 -1.568 -4.378 1.00 0.00 C ATOM 0 H ILE A 36 -15.299 -2.079 -0.491 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.158 -1.999 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.147 -0.655 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.562 0.449 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.904 0.191 -4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.644 1.738 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.594 0.927 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.961 1.343 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.406 -1.417 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.268 -2.253 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.952 -1.991 -3.824 1.00 0.00 H new ATOM 605 N LEU A 37 -12.403 -0.686 -0.673 1.00 0.00 N ATOM 606 CA LEU A 37 -11.080 -0.176 -0.346 1.00 0.00 C ATOM 607 C LEU A 37 -10.026 -1.202 -0.737 1.00 0.00 C ATOM 608 O LEU A 37 -8.998 -0.860 -1.320 1.00 0.00 O ATOM 609 CB LEU A 37 -10.987 0.151 1.146 1.00 0.00 C ATOM 610 CG LEU A 37 -9.569 0.220 1.716 1.00 0.00 C ATOM 611 CD1 LEU A 37 -8.951 1.586 1.468 1.00 0.00 C ATOM 612 CD2 LEU A 37 -9.582 -0.093 3.201 1.00 0.00 C ATOM 0 H LEU A 37 -12.968 -0.943 0.136 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.903 0.743 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.478 1.108 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.547 -0.601 1.701 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.960 -0.526 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.943 1.610 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.907 1.776 0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.559 2.353 1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.566 -0.040 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.209 0.632 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.980 -1.096 3.358 1.00 0.00 H new ATOM 624 N ARG A 38 -10.307 -2.463 -0.429 1.00 0.00 N ATOM 625 CA ARG A 38 -9.435 -3.566 -0.812 1.00 0.00 C ATOM 626 C ARG A 38 -9.291 -3.621 -2.327 1.00 0.00 C ATOM 627 O ARG A 38 -8.202 -3.838 -2.853 1.00 0.00 O ATOM 628 CB ARG A 38 -10.002 -4.888 -0.286 1.00 0.00 C ATOM 629 CG ARG A 38 -9.191 -6.110 -0.688 1.00 0.00 C ATOM 630 CD ARG A 38 -9.877 -7.396 -0.253 1.00 0.00 C ATOM 631 NE ARG A 38 -9.690 -8.476 -1.222 1.00 0.00 N ATOM 632 CZ ARG A 38 -10.345 -8.563 -2.380 1.00 0.00 C ATOM 633 NH1 ARG A 38 -11.251 -7.645 -2.708 1.00 0.00 N ATOM 634 NH2 ARG A 38 -10.100 -9.573 -3.203 1.00 0.00 N ATOM 0 H ARG A 38 -11.138 -2.748 0.089 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.450 -3.406 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.056 -4.842 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.022 -5.005 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.052 -6.117 -1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.199 -6.055 -0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.484 -7.706 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.943 -7.210 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.016 -9.208 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.446 -6.871 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.750 -7.715 -3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.411 -10.282 -2.950 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.600 -9.641 -4.089 1.00 0.00 H new ATOM 648 N GLN A 39 -10.405 -3.412 -3.017 1.00 0.00 N ATOM 649 CA GLN A 39 -10.422 -3.386 -4.472 1.00 0.00 C ATOM 650 C GLN A 39 -9.562 -2.242 -5.003 1.00 0.00 C ATOM 651 O GLN A 39 -8.798 -2.412 -5.953 1.00 0.00 O ATOM 652 CB GLN A 39 -11.857 -3.230 -4.972 1.00 0.00 C ATOM 653 CG GLN A 39 -12.073 -3.745 -6.379 1.00 0.00 C ATOM 654 CD GLN A 39 -13.510 -4.147 -6.625 1.00 0.00 C ATOM 655 OE1 GLN A 39 -14.301 -3.368 -7.158 1.00 0.00 O ATOM 656 NE2 GLN A 39 -13.860 -5.361 -6.240 1.00 0.00 N ATOM 0 H GLN A 39 -11.316 -3.257 -2.586 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.011 -4.327 -4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.527 -3.759 -4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.132 -2.176 -4.935 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.785 -2.975 -7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -11.423 -4.602 -6.554 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.173 -5.975 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.817 -5.685 -6.381 1.00 0.00 H new ATOM 665 N ARG A 40 -9.685 -1.081 -4.370 1.00 0.00 N ATOM 666 CA ARG A 40 -8.939 0.105 -4.776 1.00 0.00 C ATOM 667 C ARG A 40 -7.446 -0.080 -4.539 1.00 0.00 C ATOM 668 O ARG A 40 -6.621 0.432 -5.293 1.00 0.00 O ATOM 669 CB ARG A 40 -9.427 1.330 -4.004 1.00 0.00 C ATOM 670 CG ARG A 40 -10.655 1.979 -4.596 1.00 0.00 C ATOM 671 CD ARG A 40 -10.321 2.764 -5.852 1.00 0.00 C ATOM 672 NE ARG A 40 -11.282 2.508 -6.923 1.00 0.00 N ATOM 673 CZ ARG A 40 -11.133 2.935 -8.176 1.00 0.00 C ATOM 674 NH1 ARG A 40 -10.029 3.585 -8.532 1.00 0.00 N ATOM 675 NH2 ARG A 40 -12.084 2.708 -9.071 1.00 0.00 N ATOM 0 H ARG A 40 -10.298 -0.935 -3.568 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.109 0.256 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.643 1.037 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.623 2.065 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.395 1.214 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.107 2.644 -3.860 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.308 3.829 -5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.320 2.499 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.118 1.969 -6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.295 3.757 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.916 3.911 -9.492 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.930 2.206 -8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.970 3.035 -10.030 1.00 0.00 H new ATOM 689 N TRP A 41 -7.115 -0.823 -3.492 1.00 0.00 N ATOM 690 CA TRP A 41 -5.730 -1.076 -3.119 1.00 0.00 C ATOM 691 C TRP A 41 -4.985 -1.809 -4.232 1.00 0.00 C ATOM 692 O TRP A 41 -3.774 -1.658 -4.387 1.00 0.00 O ATOM 693 CB TRP A 41 -5.696 -1.886 -1.822 1.00 0.00 C ATOM 694 CG TRP A 41 -5.381 -1.048 -0.633 1.00 0.00 C ATOM 695 CD1 TRP A 41 -6.097 0.012 -0.164 1.00 0.00 C ATOM 696 CD2 TRP A 41 -4.260 -1.197 0.235 1.00 0.00 C ATOM 697 NE1 TRP A 41 -5.486 0.532 0.946 1.00 0.00 N ATOM 698 CE2 TRP A 41 -4.355 -0.191 1.210 1.00 0.00 C ATOM 699 CE3 TRP A 41 -3.186 -2.084 0.282 1.00 0.00 C ATOM 700 CZ2 TRP A 41 -3.415 -0.048 2.221 1.00 0.00 C ATOM 701 CZ3 TRP A 41 -2.252 -1.940 1.284 1.00 0.00 C ATOM 702 CH2 TRP A 41 -2.371 -0.928 2.241 1.00 0.00 C ATOM 0 H TRP A 41 -7.798 -1.267 -2.878 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.227 -0.122 -2.963 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.661 -2.371 -1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.952 -2.678 -1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.010 0.386 -0.602 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -5.820 1.329 1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.088 -2.869 -0.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -3.506 0.730 2.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.414 -2.620 1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.621 -0.840 3.013 1.00 0.00 H new ATOM 713 N LEU A 42 -5.719 -2.582 -5.022 1.00 0.00 N ATOM 714 CA LEU A 42 -5.121 -3.343 -6.112 1.00 0.00 C ATOM 715 C LEU A 42 -4.803 -2.439 -7.300 1.00 0.00 C ATOM 716 O LEU A 42 -3.943 -2.758 -8.125 1.00 0.00 O ATOM 717 CB LEU A 42 -6.049 -4.479 -6.555 1.00 0.00 C ATOM 718 CG LEU A 42 -6.780 -5.219 -5.430 1.00 0.00 C ATOM 719 CD1 LEU A 42 -7.500 -6.436 -5.985 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.810 -5.629 -4.331 1.00 0.00 C ATOM 0 H LEU A 42 -6.728 -2.699 -4.929 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.190 -3.773 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.793 -4.070 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.462 -5.203 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.517 -4.543 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.016 -6.954 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.226 -6.119 -6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.776 -7.110 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.352 -6.153 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.047 -6.288 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.335 -4.741 -3.915 1.00 0.00 H new ATOM 732 N THR A 43 -5.485 -1.302 -7.370 1.00 0.00 N ATOM 733 CA THR A 43 -5.293 -0.350 -8.457 1.00 0.00 C ATOM 734 C THR A 43 -3.891 0.255 -8.408 1.00 0.00 C ATOM 735 O THR A 43 -3.242 0.431 -9.440 1.00 0.00 O ATOM 736 CB THR A 43 -6.358 0.771 -8.392 1.00 0.00 C ATOM 737 OG1 THR A 43 -7.610 0.272 -8.883 1.00 0.00 O ATOM 738 CG2 THR A 43 -5.944 2.003 -9.198 1.00 0.00 C ATOM 0 H THR A 43 -6.181 -1.016 -6.681 1.00 0.00 H new ATOM 0 HA THR A 43 -5.405 -0.887 -9.399 1.00 0.00 H new ATOM 0 HB THR A 43 -6.456 1.076 -7.350 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.284 0.982 -8.840 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.721 2.764 -9.124 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.009 2.399 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.807 1.725 -10.243 1.00 0.00 H new ATOM 746 N ALA A 44 -3.421 0.535 -7.200 1.00 0.00 N ATOM 747 CA ALA A 44 -2.129 1.182 -7.000 1.00 0.00 C ATOM 748 C ALA A 44 -0.977 0.312 -7.483 1.00 0.00 C ATOM 749 O ALA A 44 0.037 0.814 -7.968 1.00 0.00 O ATOM 750 CB ALA A 44 -1.949 1.507 -5.533 1.00 0.00 C ATOM 0 H ALA A 44 -3.920 0.322 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.118 2.099 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.984 1.990 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.745 2.177 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.989 0.587 -4.949 1.00 0.00 H new ATOM 756 N ILE A 45 -1.145 -0.990 -7.352 1.00 0.00 N ATOM 757 CA ILE A 45 -0.099 -1.933 -7.704 1.00 0.00 C ATOM 758 C ILE A 45 -0.350 -2.525 -9.082 1.00 0.00 C ATOM 759 O ILE A 45 0.466 -3.290 -9.595 1.00 0.00 O ATOM 760 CB ILE A 45 0.004 -3.074 -6.671 1.00 0.00 C ATOM 761 CG1 ILE A 45 -1.390 -3.504 -6.202 1.00 0.00 C ATOM 762 CG2 ILE A 45 0.852 -2.636 -5.492 1.00 0.00 C ATOM 763 CD1 ILE A 45 -1.381 -4.484 -5.050 1.00 0.00 C ATOM 0 H ILE A 45 -2.001 -1.421 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 45 0.842 -1.382 -7.711 1.00 0.00 H new ATOM 0 HB ILE A 45 0.482 -3.931 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.951 -2.618 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.921 -3.952 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.918 -3.449 -4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.852 -2.377 -5.839 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.396 -1.766 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.406 -4.737 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.850 -5.389 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.880 -4.034 -4.193 1.00 0.00 H new ATOM 775 N GLY A 46 -1.484 -2.161 -9.678 1.00 0.00 N ATOM 776 CA GLY A 46 -1.853 -2.693 -10.976 1.00 0.00 C ATOM 777 C GLY A 46 -1.989 -4.201 -10.957 1.00 0.00 C ATOM 778 O GLY A 46 -1.678 -4.876 -11.940 1.00 0.00 O ATOM 0 H GLY A 46 -2.155 -1.504 -9.281 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.796 -2.249 -11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.101 -2.407 -11.711 1.00 0.00 H new ATOM 782 N ARG A 47 -2.451 -4.734 -9.836 1.00 0.00 N ATOM 783 CA ARG A 47 -2.564 -6.173 -9.671 1.00 0.00 C ATOM 784 C ARG A 47 -4.017 -6.585 -9.513 1.00 0.00 C ATOM 785 O ARG A 47 -4.896 -5.747 -9.308 1.00 0.00 O ATOM 786 CB ARG A 47 -1.768 -6.642 -8.453 1.00 0.00 C ATOM 787 CG ARG A 47 -0.262 -6.617 -8.655 1.00 0.00 C ATOM 788 CD ARG A 47 0.379 -7.921 -8.205 1.00 0.00 C ATOM 789 NE ARG A 47 1.561 -8.262 -8.997 1.00 0.00 N ATOM 790 CZ ARG A 47 2.801 -7.873 -8.700 1.00 0.00 C ATOM 791 NH1 ARG A 47 3.026 -7.093 -7.651 1.00 0.00 N ATOM 792 NH2 ARG A 47 3.818 -8.260 -9.459 1.00 0.00 N ATOM 0 H ARG A 47 -2.753 -4.191 -9.028 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.156 -6.642 -10.566 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.021 -6.011 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.074 -7.657 -8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.037 -6.443 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.168 -5.786 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.659 -7.842 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.351 -8.727 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 47 1.428 -8.835 -9.831 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.248 -6.787 -7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.977 -6.799 -7.429 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.651 -8.855 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.767 -7.962 -9.231 1.00 0.00 H new ATOM 806 N THR A 48 -4.257 -7.877 -9.614 1.00 0.00 N ATOM 807 CA THR A 48 -5.582 -8.423 -9.421 1.00 0.00 C ATOM 808 C THR A 48 -5.666 -9.134 -8.072 1.00 0.00 C ATOM 809 O THR A 48 -4.658 -9.281 -7.383 1.00 0.00 O ATOM 810 CB THR A 48 -5.941 -9.391 -10.558 1.00 0.00 C ATOM 811 OG1 THR A 48 -4.752 -9.766 -11.269 1.00 0.00 O ATOM 812 CG2 THR A 48 -6.930 -8.746 -11.517 1.00 0.00 C ATOM 0 H THR A 48 -3.543 -8.573 -9.831 1.00 0.00 H new ATOM 0 HA THR A 48 -6.299 -7.602 -9.432 1.00 0.00 H new ATOM 0 HB THR A 48 -6.402 -10.279 -10.126 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.985 -10.385 -11.992 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.172 -9.447 -12.316 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.840 -8.481 -10.978 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.488 -7.847 -11.945 1.00 0.00 H new ATOM 820 N GLU A 49 -6.855 -9.604 -7.721 1.00 0.00 N ATOM 821 CA GLU A 49 -7.123 -10.116 -6.374 1.00 0.00 C ATOM 822 C GLU A 49 -6.515 -11.498 -6.165 1.00 0.00 C ATOM 823 O GLU A 49 -6.144 -11.863 -5.052 1.00 0.00 O ATOM 824 CB GLU A 49 -8.627 -10.168 -6.094 1.00 0.00 C ATOM 825 CG GLU A 49 -9.493 -9.490 -7.147 1.00 0.00 C ATOM 826 CD GLU A 49 -10.965 -9.502 -6.782 1.00 0.00 C ATOM 827 OE1 GLU A 49 -11.287 -9.562 -5.576 1.00 0.00 O ATOM 828 OE2 GLU A 49 -11.810 -9.452 -7.699 1.00 0.00 O ATOM 0 H GLU A 49 -7.657 -9.643 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.654 -9.425 -5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.931 -11.211 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.820 -9.700 -5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.162 -8.460 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.355 -9.992 -8.105 1.00 0.00 H new ATOM 835 N GLU A 50 -6.404 -12.257 -7.240 1.00 0.00 N ATOM 836 CA GLU A 50 -5.797 -13.581 -7.184 1.00 0.00 C ATOM 837 C GLU A 50 -4.285 -13.445 -7.246 1.00 0.00 C ATOM 838 O GLU A 50 -3.546 -14.419 -7.106 1.00 0.00 O ATOM 839 CB GLU A 50 -6.289 -14.455 -8.343 1.00 0.00 C ATOM 840 CG GLU A 50 -7.567 -13.955 -8.996 1.00 0.00 C ATOM 841 CD GLU A 50 -7.308 -12.892 -10.045 1.00 0.00 C ATOM 842 OE1 GLU A 50 -6.181 -12.351 -10.080 1.00 0.00 O ATOM 843 OE2 GLU A 50 -8.228 -12.586 -10.825 1.00 0.00 O ATOM 0 H GLU A 50 -6.727 -11.981 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.086 -14.060 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.506 -14.513 -9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.453 -15.468 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.088 -14.795 -9.456 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.228 -13.550 -8.230 1.00 0.00 H new ATOM 850 N THR A 51 -3.844 -12.216 -7.440 1.00 0.00 N ATOM 851 CA THR A 51 -2.439 -11.901 -7.603 1.00 0.00 C ATOM 852 C THR A 51 -1.968 -10.963 -6.495 1.00 0.00 C ATOM 853 O THR A 51 -0.983 -10.243 -6.646 1.00 0.00 O ATOM 854 CB THR A 51 -2.212 -11.237 -8.971 1.00 0.00 C ATOM 855 OG1 THR A 51 -3.312 -11.534 -9.849 1.00 0.00 O ATOM 856 CG2 THR A 51 -0.924 -11.719 -9.602 1.00 0.00 C ATOM 0 H THR A 51 -4.457 -11.402 -7.489 1.00 0.00 H new ATOM 0 HA THR A 51 -1.866 -12.826 -7.546 1.00 0.00 H new ATOM 0 HB THR A 51 -2.143 -10.160 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.736 -10.699 -10.136 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.788 -11.233 -10.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.085 -11.472 -8.951 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.969 -12.799 -9.742 1.00 0.00 H new ATOM 864 N VAL A 52 -2.684 -10.975 -5.382 1.00 0.00 N ATOM 865 CA VAL A 52 -2.433 -10.039 -4.299 1.00 0.00 C ATOM 866 C VAL A 52 -2.836 -10.653 -2.959 1.00 0.00 C ATOM 867 O VAL A 52 -3.386 -11.754 -2.916 1.00 0.00 O ATOM 868 CB VAL A 52 -3.215 -8.722 -4.548 1.00 0.00 C ATOM 869 CG1 VAL A 52 -4.693 -8.895 -4.232 1.00 0.00 C ATOM 870 CG2 VAL A 52 -2.630 -7.560 -3.758 1.00 0.00 C ATOM 0 H VAL A 52 -3.448 -11.627 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.367 -9.815 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.116 -8.484 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.217 -7.957 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.112 -9.675 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.811 -9.178 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.205 -6.657 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.672 -7.787 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.593 -7.404 -4.055 1.00 0.00 H new ATOM 880 N VAL A 53 -2.513 -9.945 -1.879 1.00 0.00 N ATOM 881 CA VAL A 53 -2.951 -10.284 -0.523 1.00 0.00 C ATOM 882 C VAL A 53 -2.059 -11.344 0.128 1.00 0.00 C ATOM 883 O VAL A 53 -1.646 -11.181 1.277 1.00 0.00 O ATOM 884 CB VAL A 53 -4.436 -10.736 -0.468 1.00 0.00 C ATOM 885 CG1 VAL A 53 -4.827 -11.167 0.939 1.00 0.00 C ATOM 886 CG2 VAL A 53 -5.365 -9.630 -0.953 1.00 0.00 C ATOM 0 H VAL A 53 -1.932 -9.108 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.860 -9.360 0.048 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.541 -11.593 -1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.872 -11.478 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.198 -12.000 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.692 -10.332 1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.398 -9.975 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.245 -8.751 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.117 -9.372 -1.983 1.00 0.00 H new ATOM 896 N SER A 54 -1.759 -12.412 -0.602 1.00 0.00 N ATOM 897 CA SER A 54 -0.966 -13.516 -0.065 1.00 0.00 C ATOM 898 C SER A 54 0.404 -13.040 0.434 1.00 0.00 C ATOM 899 O SER A 54 0.639 -12.947 1.643 1.00 0.00 O ATOM 900 CB SER A 54 -0.801 -14.590 -1.139 1.00 0.00 C ATOM 901 OG SER A 54 -1.381 -14.160 -2.363 1.00 0.00 O ATOM 0 H SER A 54 -2.053 -12.539 -1.570 1.00 0.00 H new ATOM 0 HA SER A 54 -1.494 -13.933 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.257 -14.806 -1.287 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.273 -15.516 -0.811 1.00 0.00 H new ATOM 0 HG SER A 54 -1.266 -14.857 -3.042 1.00 0.00 H new ATOM 907 N GLN A 55 1.297 -12.724 -0.494 1.00 0.00 N ATOM 908 CA GLN A 55 2.631 -12.259 -0.140 1.00 0.00 C ATOM 909 C GLN A 55 2.690 -10.741 -0.185 1.00 0.00 C ATOM 910 O GLN A 55 3.374 -10.112 0.622 1.00 0.00 O ATOM 911 CB GLN A 55 3.675 -12.842 -1.096 1.00 0.00 C ATOM 912 CG GLN A 55 5.113 -12.566 -0.675 1.00 0.00 C ATOM 913 CD GLN A 55 5.708 -11.337 -1.347 1.00 0.00 C ATOM 914 OE1 GLN A 55 5.890 -11.302 -2.564 1.00 0.00 O ATOM 915 NE2 GLN A 55 6.011 -10.317 -0.557 1.00 0.00 N ATOM 0 H GLN A 55 1.122 -12.781 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 55 2.851 -12.596 0.873 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.527 -13.920 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.512 -12.431 -2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.149 -12.435 0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.727 -13.435 -0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.846 -10.383 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.409 -9.466 -0.953 1.00 0.00 H new ATOM 924 N LEU A 56 1.958 -10.172 -1.133 1.00 0.00 N ATOM 925 CA LEU A 56 2.001 -8.742 -1.395 1.00 0.00 C ATOM 926 C LEU A 56 1.735 -7.920 -0.138 1.00 0.00 C ATOM 927 O LEU A 56 0.766 -8.154 0.589 1.00 0.00 O ATOM 928 CB LEU A 56 1.001 -8.379 -2.488 1.00 0.00 C ATOM 929 CG LEU A 56 1.606 -8.255 -3.889 1.00 0.00 C ATOM 930 CD1 LEU A 56 1.555 -9.587 -4.619 1.00 0.00 C ATOM 931 CD2 LEU A 56 0.885 -7.186 -4.688 1.00 0.00 C ATOM 0 H LEU A 56 1.320 -10.687 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 56 3.009 -8.500 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.217 -9.136 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.525 -7.434 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 56 2.651 -7.963 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.990 -9.475 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.119 -10.331 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.519 -9.912 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.329 -7.112 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.169 -7.449 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.976 -6.227 -4.178 1.00 0.00 H new ATOM 943 N ARG A 57 2.627 -6.976 0.114 1.00 0.00 N ATOM 944 CA ARG A 57 2.502 -6.046 1.226 1.00 0.00 C ATOM 945 C ARG A 57 2.746 -4.647 0.695 1.00 0.00 C ATOM 946 O ARG A 57 3.178 -4.501 -0.445 1.00 0.00 O ATOM 947 CB ARG A 57 3.511 -6.365 2.337 1.00 0.00 C ATOM 948 CG ARG A 57 3.396 -7.772 2.899 1.00 0.00 C ATOM 949 CD ARG A 57 2.129 -7.945 3.721 1.00 0.00 C ATOM 950 NE ARG A 57 2.186 -9.138 4.564 1.00 0.00 N ATOM 951 CZ ARG A 57 1.889 -10.368 4.145 1.00 0.00 C ATOM 952 NH1 ARG A 57 1.466 -10.569 2.902 1.00 0.00 N ATOM 953 NH2 ARG A 57 2.007 -11.394 4.974 1.00 0.00 N ATOM 0 H ARG A 57 3.464 -6.832 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 57 1.504 -6.129 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.519 -6.223 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.378 -5.650 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.401 -8.493 2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.265 -7.989 3.520 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.979 -7.065 4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.270 -8.012 3.054 1.00 0.00 H new ATOM 0 HE ARG A 57 2.472 -9.022 5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.367 -9.780 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.240 -11.512 2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.325 -11.242 5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.780 -12.336 4.655 1.00 0.00 H new ATOM 967 N ILE A 58 2.461 -3.630 1.488 1.00 0.00 N ATOM 968 CA ILE A 58 2.681 -2.257 1.050 1.00 0.00 C ATOM 969 C ILE A 58 3.399 -1.446 2.124 1.00 0.00 C ATOM 970 O ILE A 58 2.970 -1.415 3.279 1.00 0.00 O ATOM 971 CB ILE A 58 1.349 -1.556 0.685 1.00 0.00 C ATOM 972 CG1 ILE A 58 0.652 -2.272 -0.479 1.00 0.00 C ATOM 973 CG2 ILE A 58 1.586 -0.093 0.339 1.00 0.00 C ATOM 974 CD1 ILE A 58 1.459 -2.298 -1.760 1.00 0.00 C ATOM 0 H ILE A 58 2.080 -3.723 2.430 1.00 0.00 H new ATOM 0 HA ILE A 58 3.307 -2.306 0.159 1.00 0.00 H new ATOM 0 HB ILE A 58 0.697 -1.605 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.430 -3.297 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.303 -1.783 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.637 0.379 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.028 0.416 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.263 -0.026 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.897 -2.822 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.659 -1.277 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.403 -2.814 -1.585 1.00 0.00 H new ATOM 986 N CYS A 59 4.503 -0.809 1.741 1.00 0.00 N ATOM 987 CA CYS A 59 5.212 0.101 2.627 1.00 0.00 C ATOM 988 C CYS A 59 4.303 1.249 3.060 1.00 0.00 C ATOM 989 O CYS A 59 3.489 1.741 2.276 1.00 0.00 O ATOM 990 CB CYS A 59 6.452 0.672 1.926 1.00 0.00 C ATOM 991 SG CYS A 59 7.444 -0.563 1.022 1.00 0.00 S ATOM 0 H CYS A 59 4.925 -0.909 0.818 1.00 0.00 H new ATOM 0 HA CYS A 59 5.522 -0.460 3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.135 1.447 1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.085 1.154 2.671 1.00 0.00 H new ATOM 996 N SER A 60 4.466 1.695 4.297 1.00 0.00 N ATOM 997 CA SER A 60 3.719 2.840 4.802 1.00 0.00 C ATOM 998 C SER A 60 4.201 4.118 4.123 1.00 0.00 C ATOM 999 O SER A 60 3.595 5.180 4.255 1.00 0.00 O ATOM 1000 CB SER A 60 3.895 2.957 6.314 1.00 0.00 C ATOM 1001 OG SER A 60 4.889 2.058 6.770 1.00 0.00 O ATOM 0 H SER A 60 5.110 1.281 4.971 1.00 0.00 H new ATOM 0 HA SER A 60 2.662 2.696 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.173 3.978 6.575 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.949 2.746 6.813 1.00 0.00 H new ATOM 0 HG SER A 60 4.499 1.165 6.876 1.00 0.00 H new ATOM 1007 N ALA A 61 5.298 3.991 3.384 1.00 0.00 N ATOM 1008 CA ALA A 61 5.885 5.108 2.668 1.00 0.00 C ATOM 1009 C ALA A 61 5.086 5.435 1.413 1.00 0.00 C ATOM 1010 O ALA A 61 5.310 6.459 0.772 1.00 0.00 O ATOM 1011 CB ALA A 61 7.325 4.788 2.308 1.00 0.00 C ATOM 0 H ALA A 61 5.801 3.111 3.267 1.00 0.00 H new ATOM 0 HA ALA A 61 5.863 5.984 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.761 5.630 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.895 4.604 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.353 3.900 1.676 1.00 0.00 H new ATOM 1017 N HIS A 62 4.145 4.562 1.071 1.00 0.00 N ATOM 1018 CA HIS A 62 3.314 4.755 -0.111 1.00 0.00 C ATOM 1019 C HIS A 62 2.047 5.532 0.240 1.00 0.00 C ATOM 1020 O HIS A 62 1.071 5.517 -0.507 1.00 0.00 O ATOM 1021 CB HIS A 62 2.942 3.400 -0.733 1.00 0.00 C ATOM 1022 CG HIS A 62 4.115 2.634 -1.266 1.00 0.00 C ATOM 1023 ND1 HIS A 62 4.730 2.903 -2.477 1.00 0.00 N ATOM 1024 CD2 HIS A 62 4.798 1.593 -0.719 1.00 0.00 C ATOM 1025 CE1 HIS A 62 5.749 2.035 -2.621 1.00 0.00 C ATOM 1026 NE2 HIS A 62 5.820 1.232 -1.580 1.00 0.00 N ATOM 0 H HIS A 62 3.939 3.713 1.597 1.00 0.00 H new ATOM 0 HA HIS A 62 3.887 5.332 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.435 2.794 0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.231 3.566 -1.542 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.460 3.629 -3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.579 1.126 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 62 6.415 2.002 -3.471 1.00 0.00 H new ATOM 1034 N PHE A 63 2.065 6.201 1.386 1.00 0.00 N ATOM 1035 CA PHE A 63 0.915 6.964 1.850 1.00 0.00 C ATOM 1036 C PHE A 63 1.332 8.369 2.249 1.00 0.00 C ATOM 1037 O PHE A 63 2.345 8.554 2.927 1.00 0.00 O ATOM 1038 CB PHE A 63 0.260 6.280 3.055 1.00 0.00 C ATOM 1039 CG PHE A 63 -0.330 4.936 2.754 1.00 0.00 C ATOM 1040 CD1 PHE A 63 0.471 3.806 2.724 1.00 0.00 C ATOM 1041 CD2 PHE A 63 -1.687 4.801 2.508 1.00 0.00 C ATOM 1042 CE1 PHE A 63 -0.069 2.567 2.451 1.00 0.00 C ATOM 1043 CE2 PHE A 63 -2.230 3.564 2.234 1.00 0.00 C ATOM 1044 CZ PHE A 63 -1.420 2.446 2.206 1.00 0.00 C ATOM 0 H PHE A 63 2.868 6.230 2.014 1.00 0.00 H new ATOM 0 HA PHE A 63 0.199 7.015 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.004 6.169 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.524 6.929 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.530 3.897 2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.325 5.672 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.565 1.693 2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.288 3.469 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.845 1.477 1.992 1.00 0.00 H new ATOM 1054 N GLU A 64 0.556 9.356 1.826 1.00 0.00 N ATOM 1055 CA GLU A 64 0.759 10.724 2.272 1.00 0.00 C ATOM 1056 C GLU A 64 0.332 10.847 3.731 1.00 0.00 C ATOM 1057 O GLU A 64 -0.832 11.116 4.031 1.00 0.00 O ATOM 1058 CB GLU A 64 -0.032 11.701 1.398 1.00 0.00 C ATOM 1059 CG GLU A 64 0.726 12.979 1.068 1.00 0.00 C ATOM 1060 CD GLU A 64 1.164 13.732 2.308 1.00 0.00 C ATOM 1061 OE1 GLU A 64 0.347 14.492 2.865 1.00 0.00 O ATOM 1062 OE2 GLU A 64 2.325 13.558 2.735 1.00 0.00 O ATOM 0 H GLU A 64 -0.219 9.234 1.175 1.00 0.00 H new ATOM 0 HA GLU A 64 1.816 10.975 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.307 11.202 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.960 11.961 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.602 12.733 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.094 13.625 0.459 1.00 0.00 H new ATOM 1069 N GLY A 65 1.282 10.633 4.625 1.00 0.00 N ATOM 1070 CA GLY A 65 0.991 10.601 6.043 1.00 0.00 C ATOM 1071 C GLY A 65 1.423 9.288 6.664 1.00 0.00 C ATOM 1072 O GLY A 65 1.548 9.179 7.882 1.00 0.00 O ATOM 0 H GLY A 65 2.263 10.479 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.501 11.426 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.078 10.746 6.201 1.00 0.00 H new ATOM 1076 N GLY A 66 1.653 8.291 5.810 1.00 0.00 N ATOM 1077 CA GLY A 66 2.115 6.991 6.269 1.00 0.00 C ATOM 1078 C GLY A 66 1.074 6.240 7.075 1.00 0.00 C ATOM 1079 O GLY A 66 1.413 5.351 7.860 1.00 0.00 O ATOM 0 H GLY A 66 1.526 8.363 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.402 6.389 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.010 7.124 6.877 1.00 0.00 H new ATOM 1083 N GLU A 67 -0.192 6.572 6.867 1.00 0.00 N ATOM 1084 CA GLU A 67 -1.262 6.018 7.679 1.00 0.00 C ATOM 1085 C GLU A 67 -2.316 5.318 6.828 1.00 0.00 C ATOM 1086 O GLU A 67 -2.913 5.920 5.939 1.00 0.00 O ATOM 1087 CB GLU A 67 -1.914 7.130 8.496 1.00 0.00 C ATOM 1088 CG GLU A 67 -1.373 7.241 9.908 1.00 0.00 C ATOM 1089 CD GLU A 67 -2.246 6.531 10.915 1.00 0.00 C ATOM 1090 OE1 GLU A 67 -3.324 7.063 11.254 1.00 0.00 O ATOM 1091 OE2 GLU A 67 -1.858 5.440 11.381 1.00 0.00 O ATOM 0 H GLU A 67 -0.502 7.221 6.144 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.825 5.273 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.767 8.081 7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.989 6.955 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.367 6.822 9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.290 8.293 10.181 1.00 0.00 H new ATOM 1098 N LYS A 68 -2.511 4.034 7.093 1.00 0.00 N ATOM 1099 CA LYS A 68 -3.607 3.281 6.497 1.00 0.00 C ATOM 1100 C LYS A 68 -4.738 3.143 7.506 1.00 0.00 C ATOM 1101 O LYS A 68 -4.544 2.583 8.585 1.00 0.00 O ATOM 1102 CB LYS A 68 -3.136 1.892 6.051 1.00 0.00 C ATOM 1103 CG LYS A 68 -4.268 0.961 5.634 1.00 0.00 C ATOM 1104 CD LYS A 68 -4.164 -0.395 6.318 1.00 0.00 C ATOM 1105 CE LYS A 68 -4.887 -0.407 7.658 1.00 0.00 C ATOM 1106 NZ LYS A 68 -5.821 -1.559 7.787 1.00 0.00 N ATOM 0 H LYS A 68 -1.921 3.489 7.721 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.962 3.821 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.445 2.004 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.579 1.429 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.226 1.420 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.248 0.825 4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.586 -1.163 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.114 -0.647 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.154 -0.445 8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.443 0.523 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.289 -1.524 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.538 -1.510 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.289 -2.449 7.701 1.00 0.00 H new ATOM 1120 N LYS A 69 -5.903 3.660 7.167 1.00 0.00 N ATOM 1121 CA LYS A 69 -7.074 3.512 8.012 1.00 0.00 C ATOM 1122 C LYS A 69 -8.108 2.637 7.311 1.00 0.00 C ATOM 1123 O LYS A 69 -8.031 1.407 7.370 1.00 0.00 O ATOM 1124 CB LYS A 69 -7.669 4.882 8.360 1.00 0.00 C ATOM 1125 CG LYS A 69 -6.675 5.827 9.014 1.00 0.00 C ATOM 1126 CD LYS A 69 -7.049 7.281 8.779 1.00 0.00 C ATOM 1127 CE LYS A 69 -5.956 8.222 9.265 1.00 0.00 C ATOM 1128 NZ LYS A 69 -5.729 8.113 10.733 1.00 0.00 N ATOM 0 H LYS A 69 -6.065 4.188 6.310 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.778 3.030 8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.053 5.344 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.518 4.741 9.029 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.635 5.629 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.677 5.638 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.226 7.445 7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.982 7.506 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.028 8.000 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.226 9.248 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.488 9.049 11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.593 7.762 11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.947 7.452 10.915 1.00 0.00 H new ATOM 1142 N GLU A 70 -9.053 3.267 6.625 1.00 0.00 N ATOM 1143 CA GLU A 70 -10.103 2.538 5.923 1.00 0.00 C ATOM 1144 C GLU A 70 -10.541 3.286 4.669 1.00 0.00 C ATOM 1145 O GLU A 70 -11.587 2.998 4.090 1.00 0.00 O ATOM 1146 CB GLU A 70 -11.302 2.303 6.847 1.00 0.00 C ATOM 1147 CG GLU A 70 -11.357 0.890 7.401 1.00 0.00 C ATOM 1148 CD GLU A 70 -12.594 0.629 8.234 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -12.607 1.004 9.426 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -13.555 0.036 7.710 1.00 0.00 O ATOM 0 H GLU A 70 -9.114 4.282 6.539 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.699 1.572 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.260 3.010 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -12.222 2.508 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.326 0.180 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.471 0.710 8.010 1.00 0.00 H new ATOM 1157 N GLY A 71 -9.729 4.243 4.251 1.00 0.00 N ATOM 1158 CA GLY A 71 -10.037 5.003 3.057 1.00 0.00 C ATOM 1159 C GLY A 71 -8.781 5.523 2.402 1.00 0.00 C ATOM 1160 O GLY A 71 -8.799 6.536 1.706 1.00 0.00 O ATOM 0 H GLY A 71 -8.861 4.508 4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.584 4.375 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.690 5.838 3.312 1.00 0.00 H new ATOM 1164 N ASP A 72 -7.690 4.811 2.627 1.00 0.00 N ATOM 1165 CA ASP A 72 -6.376 5.233 2.169 1.00 0.00 C ATOM 1166 C ASP A 72 -5.761 4.162 1.286 1.00 0.00 C ATOM 1167 O ASP A 72 -5.463 3.064 1.751 1.00 0.00 O ATOM 1168 CB ASP A 72 -5.449 5.507 3.366 1.00 0.00 C ATOM 1169 CG ASP A 72 -6.197 5.959 4.609 1.00 0.00 C ATOM 1170 OD1 ASP A 72 -6.922 5.131 5.212 1.00 0.00 O ATOM 1171 OD2 ASP A 72 -6.066 7.140 4.993 1.00 0.00 O ATOM 0 H ASP A 72 -7.689 3.925 3.132 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.493 6.152 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.887 4.602 3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.723 6.271 3.088 1.00 0.00 H new ATOM 1176 N ILE A 73 -5.603 4.480 0.013 1.00 0.00 N ATOM 1177 CA ILE A 73 -4.982 3.579 -0.950 1.00 0.00 C ATOM 1178 C ILE A 73 -3.526 3.987 -1.158 1.00 0.00 C ATOM 1179 O ILE A 73 -3.211 5.175 -1.142 1.00 0.00 O ATOM 1180 CB ILE A 73 -5.748 3.627 -2.297 1.00 0.00 C ATOM 1181 CG1 ILE A 73 -7.214 3.273 -2.073 1.00 0.00 C ATOM 1182 CG2 ILE A 73 -5.138 2.700 -3.339 1.00 0.00 C ATOM 1183 CD1 ILE A 73 -8.172 4.265 -2.686 1.00 0.00 C ATOM 0 H ILE A 73 -5.901 5.370 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.020 2.559 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.670 4.643 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.409 2.285 -2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.405 3.210 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.709 2.768 -4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.105 2.993 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.163 1.674 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.197 3.951 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.004 5.250 -2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.008 4.311 -3.763 1.00 0.00 H new ATOM 1195 N PRO A 74 -2.610 3.024 -1.334 1.00 0.00 N ATOM 1196 CA PRO A 74 -1.197 3.335 -1.541 1.00 0.00 C ATOM 1197 C PRO A 74 -0.966 4.040 -2.875 1.00 0.00 C ATOM 1198 O PRO A 74 -1.744 3.880 -3.811 1.00 0.00 O ATOM 1199 CB PRO A 74 -0.515 1.967 -1.535 1.00 0.00 C ATOM 1200 CG PRO A 74 -1.585 0.992 -1.881 1.00 0.00 C ATOM 1201 CD PRO A 74 -2.871 1.575 -1.369 1.00 0.00 C ATOM 0 HA PRO A 74 -0.810 4.011 -0.778 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.299 1.930 -2.259 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.084 1.747 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.632 0.833 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.389 0.022 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.708 1.335 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.120 1.189 -0.380 1.00 0.00 H new ATOM 1209 N VAL A 75 0.084 4.837 -2.956 1.00 0.00 N ATOM 1210 CA VAL A 75 0.448 5.488 -4.203 1.00 0.00 C ATOM 1211 C VAL A 75 1.926 5.268 -4.496 1.00 0.00 C ATOM 1212 O VAL A 75 2.711 4.986 -3.586 1.00 0.00 O ATOM 1213 CB VAL A 75 0.135 7.004 -4.192 1.00 0.00 C ATOM 1214 CG1 VAL A 75 -1.344 7.239 -4.453 1.00 0.00 C ATOM 1215 CG2 VAL A 75 0.558 7.646 -2.879 1.00 0.00 C ATOM 0 H VAL A 75 0.701 5.050 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.157 5.036 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 75 0.710 7.474 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.550 8.309 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.612 6.828 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.933 6.749 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.325 8.711 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.022 7.175 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.631 7.513 -2.738 1.00 0.00 H new ATOM 1225 N PRO A 76 2.327 5.377 -5.771 1.00 0.00 N ATOM 1226 CA PRO A 76 3.718 5.154 -6.176 1.00 0.00 C ATOM 1227 C PRO A 76 4.654 6.202 -5.586 1.00 0.00 C ATOM 1228 O PRO A 76 5.784 5.901 -5.198 1.00 0.00 O ATOM 1229 CB PRO A 76 3.674 5.263 -7.705 1.00 0.00 C ATOM 1230 CG PRO A 76 2.440 6.047 -8.006 1.00 0.00 C ATOM 1231 CD PRO A 76 1.460 5.722 -6.914 1.00 0.00 C ATOM 0 HA PRO A 76 4.100 4.196 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.562 5.764 -8.090 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.637 4.277 -8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.654 7.115 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 76 2.037 5.779 -8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.814 6.570 -6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.810 4.892 -7.191 1.00 0.00 H new ATOM 1239 N ASP A 77 4.155 7.426 -5.508 1.00 0.00 N ATOM 1240 CA ASP A 77 4.914 8.546 -4.976 1.00 0.00 C ATOM 1241 C ASP A 77 3.954 9.643 -4.542 1.00 0.00 C ATOM 1242 O ASP A 77 3.451 10.386 -5.375 1.00 0.00 O ATOM 1243 CB ASP A 77 5.876 9.092 -6.040 1.00 0.00 C ATOM 1244 CG ASP A 77 6.974 9.967 -5.461 1.00 0.00 C ATOM 1245 OD1 ASP A 77 6.979 10.211 -4.239 1.00 0.00 O ATOM 1246 OD2 ASP A 77 7.850 10.412 -6.236 1.00 0.00 O ATOM 0 H ASP A 77 3.212 7.670 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 77 5.497 8.207 -4.120 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.329 8.257 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.309 9.668 -6.772 1.00 0.00 H new ATOM 1251 N PRO A 78 3.670 9.754 -3.235 1.00 0.00 N ATOM 1252 CA PRO A 78 2.758 10.778 -2.706 1.00 0.00 C ATOM 1253 C PRO A 78 3.257 12.190 -2.992 1.00 0.00 C ATOM 1254 O PRO A 78 2.489 13.153 -2.977 1.00 0.00 O ATOM 1255 CB PRO A 78 2.749 10.514 -1.196 1.00 0.00 C ATOM 1256 CG PRO A 78 3.991 9.732 -0.935 1.00 0.00 C ATOM 1257 CD PRO A 78 4.218 8.905 -2.167 1.00 0.00 C ATOM 0 HA PRO A 78 1.771 10.718 -3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.744 11.447 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.861 9.956 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.837 10.393 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.877 9.100 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.276 8.692 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.705 7.945 -2.110 1.00 0.00 H new ATOM 1265 N THR A 79 4.548 12.297 -3.258 1.00 0.00 N ATOM 1266 CA THR A 79 5.177 13.573 -3.539 1.00 0.00 C ATOM 1267 C THR A 79 5.060 13.949 -5.017 1.00 0.00 C ATOM 1268 O THR A 79 5.417 15.059 -5.410 1.00 0.00 O ATOM 1269 CB THR A 79 6.662 13.531 -3.136 1.00 0.00 C ATOM 1270 OG1 THR A 79 6.981 12.240 -2.592 1.00 0.00 O ATOM 1271 CG2 THR A 79 6.971 14.600 -2.102 1.00 0.00 C ATOM 0 H THR A 79 5.187 11.502 -3.285 1.00 0.00 H new ATOM 0 HA THR A 79 4.656 14.331 -2.954 1.00 0.00 H new ATOM 0 HB THR A 79 7.264 13.718 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.288 11.649 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.026 14.551 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.748 15.583 -2.517 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.361 14.434 -1.214 1.00 0.00 H new ATOM 1279 N VAL A 80 4.553 13.030 -5.835 1.00 0.00 N ATOM 1280 CA VAL A 80 4.462 13.262 -7.274 1.00 0.00 C ATOM 1281 C VAL A 80 3.077 12.903 -7.807 1.00 0.00 C ATOM 1282 O VAL A 80 2.441 13.700 -8.502 1.00 0.00 O ATOM 1283 CB VAL A 80 5.538 12.454 -8.043 1.00 0.00 C ATOM 1284 CG1 VAL A 80 5.179 12.309 -9.516 1.00 0.00 C ATOM 1285 CG2 VAL A 80 6.899 13.111 -7.899 1.00 0.00 C ATOM 0 H VAL A 80 4.201 12.123 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 80 4.637 14.325 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 80 5.577 11.456 -7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.955 11.737 -10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.225 11.789 -9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.099 13.297 -9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.643 12.531 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.859 14.122 -8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.173 13.152 -6.845 1.00 0.00 H new ATOM 1295 N ASP A 81 2.615 11.707 -7.473 1.00 0.00 N ATOM 1296 CA ASP A 81 1.356 11.193 -7.998 1.00 0.00 C ATOM 1297 C ASP A 81 0.169 11.697 -7.183 1.00 0.00 C ATOM 1298 O ASP A 81 0.317 12.554 -6.310 1.00 0.00 O ATOM 1299 CB ASP A 81 1.370 9.660 -8.015 1.00 0.00 C ATOM 1300 CG ASP A 81 0.591 9.096 -9.185 1.00 0.00 C ATOM 1301 OD1 ASP A 81 -0.650 9.020 -9.095 1.00 0.00 O ATOM 1302 OD2 ASP A 81 1.212 8.747 -10.206 1.00 0.00 O ATOM 0 H ASP A 81 3.095 11.070 -6.837 1.00 0.00 H new ATOM 0 HA ASP A 81 1.247 11.559 -9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.400 9.308 -8.063 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.947 9.284 -7.083 1.00 0.00 H new ATOM 1307 N LYS A 82 -1.004 11.157 -7.465 1.00 0.00 N ATOM 1308 CA LYS A 82 -2.215 11.579 -6.789 1.00 0.00 C ATOM 1309 C LYS A 82 -2.621 10.553 -5.740 1.00 0.00 C ATOM 1310 O LYS A 82 -3.190 9.510 -6.065 1.00 0.00 O ATOM 1311 CB LYS A 82 -3.351 11.800 -7.797 1.00 0.00 C ATOM 1312 CG LYS A 82 -3.581 10.629 -8.741 1.00 0.00 C ATOM 1313 CD LYS A 82 -3.532 11.061 -10.192 1.00 0.00 C ATOM 1314 CE LYS A 82 -3.217 9.889 -11.108 1.00 0.00 C ATOM 1315 NZ LYS A 82 -1.759 9.773 -11.371 1.00 0.00 N ATOM 0 H LYS A 82 -1.142 10.423 -8.160 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.017 12.527 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.273 11.999 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.131 12.690 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.825 9.864 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.549 10.175 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.489 11.500 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.776 11.836 -10.317 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.580 8.966 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.748 10.012 -12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.608 9.345 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.326 10.718 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.321 9.175 -10.642 1.00 0.00 H new ATOM 1329 N GLN A 83 -2.270 10.849 -4.490 1.00 0.00 N ATOM 1330 CA GLN A 83 -2.670 10.042 -3.338 1.00 0.00 C ATOM 1331 C GLN A 83 -4.125 9.598 -3.463 1.00 0.00 C ATOM 1332 O GLN A 83 -5.047 10.408 -3.338 1.00 0.00 O ATOM 1333 CB GLN A 83 -2.467 10.843 -2.044 1.00 0.00 C ATOM 1334 CG GLN A 83 -3.071 10.194 -0.805 1.00 0.00 C ATOM 1335 CD GLN A 83 -2.431 8.863 -0.470 1.00 0.00 C ATOM 1336 OE1 GLN A 83 -1.253 8.796 -0.131 1.00 0.00 O ATOM 1337 NE2 GLN A 83 -3.208 7.800 -0.558 1.00 0.00 N ATOM 0 H GLN A 83 -1.698 11.658 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.045 9.149 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.398 10.984 -1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.904 11.833 -2.171 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.961 10.869 0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.140 10.049 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.182 7.902 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.835 6.876 -0.340 1.00 0.00 H new ATOM 1346 N ILE A 84 -4.321 8.313 -3.734 1.00 0.00 N ATOM 1347 CA ILE A 84 -5.657 7.777 -3.904 1.00 0.00 C ATOM 1348 C ILE A 84 -6.301 7.537 -2.546 1.00 0.00 C ATOM 1349 O ILE A 84 -5.861 6.683 -1.782 1.00 0.00 O ATOM 1350 CB ILE A 84 -5.682 6.455 -4.715 1.00 0.00 C ATOM 1351 CG1 ILE A 84 -4.657 6.471 -5.853 1.00 0.00 C ATOM 1352 CG2 ILE A 84 -7.074 6.218 -5.284 1.00 0.00 C ATOM 1353 CD1 ILE A 84 -3.858 5.191 -5.958 1.00 0.00 C ATOM 0 H ILE A 84 -3.572 7.629 -3.840 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.218 8.521 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.420 5.645 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.175 6.646 -6.796 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.973 7.307 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.081 5.288 -5.852 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.794 6.151 -4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.345 7.045 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.151 5.270 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.313 5.025 -5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.533 4.354 -6.137 1.00 0.00 H new ATOM 1365 N LYS A 85 -7.320 8.315 -2.233 1.00 0.00 N ATOM 1366 CA LYS A 85 -8.058 8.130 -0.998 1.00 0.00 C ATOM 1367 C LYS A 85 -9.548 8.107 -1.292 1.00 0.00 C ATOM 1368 O LYS A 85 -9.992 8.632 -2.315 1.00 0.00 O ATOM 1369 CB LYS A 85 -7.720 9.228 0.017 1.00 0.00 C ATOM 1370 CG LYS A 85 -8.026 10.639 -0.460 1.00 0.00 C ATOM 1371 CD LYS A 85 -8.110 11.608 0.710 1.00 0.00 C ATOM 1372 CE LYS A 85 -8.635 12.969 0.280 1.00 0.00 C ATOM 1373 NZ LYS A 85 -7.644 13.713 -0.537 1.00 0.00 N ATOM 0 H LYS A 85 -7.656 9.081 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.768 7.176 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.275 9.040 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.661 9.163 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.252 10.968 -1.153 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.968 10.644 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.762 11.193 1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.123 11.724 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.553 12.839 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.890 13.555 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.041 14.635 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.777 13.860 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.419 13.166 -1.393 1.00 0.00 H new ATOM 1387 N ILE A 86 -10.313 7.492 -0.412 1.00 0.00 N ATOM 1388 CA ILE A 86 -11.741 7.346 -0.625 1.00 0.00 C ATOM 1389 C ILE A 86 -12.517 7.832 0.579 1.00 0.00 C ATOM 1390 O ILE A 86 -12.013 7.821 1.702 1.00 0.00 O ATOM 1391 CB ILE A 86 -12.157 5.882 -0.905 1.00 0.00 C ATOM 1392 CG1 ILE A 86 -10.940 4.965 -1.019 1.00 0.00 C ATOM 1393 CG2 ILE A 86 -12.999 5.809 -2.167 1.00 0.00 C ATOM 1394 CD1 ILE A 86 -11.106 3.641 -0.309 1.00 0.00 C ATOM 0 H ILE A 86 -9.970 7.085 0.458 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.974 7.950 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.752 5.535 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.735 4.778 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.070 5.479 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.286 4.774 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.895 6.417 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.421 6.184 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.202 3.045 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.280 3.817 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.956 3.105 -0.732 1.00 0.00 H new ATOM 1406 N GLU A 87 -13.743 8.252 0.341 1.00 0.00 N ATOM 1407 CA GLU A 87 -14.623 8.639 1.424 1.00 0.00 C ATOM 1408 C GLU A 87 -15.516 7.461 1.783 1.00 0.00 C ATOM 1409 O GLU A 87 -16.511 7.183 1.110 1.00 0.00 O ATOM 1410 CB GLU A 87 -15.463 9.860 1.039 1.00 0.00 C ATOM 1411 CG GLU A 87 -15.950 9.842 -0.400 1.00 0.00 C ATOM 1412 CD GLU A 87 -17.349 10.395 -0.540 1.00 0.00 C ATOM 1413 OE1 GLU A 87 -17.527 11.621 -0.379 1.00 0.00 O ATOM 1414 OE2 GLU A 87 -18.278 9.608 -0.812 1.00 0.00 O ATOM 0 H GLU A 87 -14.151 8.334 -0.590 1.00 0.00 H new ATOM 0 HA GLU A 87 -14.023 8.916 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.325 9.920 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.872 10.761 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.268 10.425 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.927 8.819 -0.776 1.00 0.00 H new ATOM 1421 N LEU A 88 -15.138 6.757 2.835 1.00 0.00 N ATOM 1422 CA LEU A 88 -15.878 5.588 3.271 1.00 0.00 C ATOM 1423 C LEU A 88 -17.218 6.012 3.856 1.00 0.00 C ATOM 1424 O LEU A 88 -17.280 6.954 4.647 1.00 0.00 O ATOM 1425 CB LEU A 88 -15.057 4.793 4.298 1.00 0.00 C ATOM 1426 CG LEU A 88 -15.860 4.126 5.417 1.00 0.00 C ATOM 1427 CD1 LEU A 88 -15.973 2.629 5.174 1.00 0.00 C ATOM 1428 CD2 LEU A 88 -15.222 4.404 6.770 1.00 0.00 C ATOM 0 H LEU A 88 -14.320 6.976 3.404 1.00 0.00 H new ATOM 0 HA LEU A 88 -16.065 4.942 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.496 4.022 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.327 5.464 4.750 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.865 4.549 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.547 2.172 5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.477 2.452 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -14.976 2.189 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.806 3.922 7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.206 4.010 6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.196 5.479 6.946 1.00 0.00 H new ATOM 1440 N PRO A 89 -18.313 5.356 3.440 1.00 0.00 N ATOM 1441 CA PRO A 89 -19.643 5.634 3.975 1.00 0.00 C ATOM 1442 C PRO A 89 -19.681 5.429 5.484 1.00 0.00 C ATOM 1443 O PRO A 89 -19.346 4.349 5.978 1.00 0.00 O ATOM 1444 CB PRO A 89 -20.548 4.623 3.263 1.00 0.00 C ATOM 1445 CG PRO A 89 -19.790 4.214 2.047 1.00 0.00 C ATOM 1446 CD PRO A 89 -18.337 4.297 2.420 1.00 0.00 C ATOM 0 HA PRO A 89 -19.952 6.666 3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -20.761 3.766 3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -21.507 5.069 2.999 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -20.058 3.202 1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -20.016 4.871 1.207 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -17.967 3.350 2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -17.715 4.550 1.562 1.00 0.00 H new ATOM 1454 N PRO A 90 -20.059 6.476 6.230 1.00 0.00 N ATOM 1455 CA PRO A 90 -20.071 6.448 7.693 1.00 0.00 C ATOM 1456 C PRO A 90 -21.072 5.438 8.246 1.00 0.00 C ATOM 1457 O PRO A 90 -22.263 5.744 8.365 1.00 0.00 O ATOM 1458 CB PRO A 90 -20.474 7.878 8.086 1.00 0.00 C ATOM 1459 CG PRO A 90 -20.262 8.699 6.860 1.00 0.00 C ATOM 1460 CD PRO A 90 -20.506 7.776 5.704 1.00 0.00 C ATOM 0 HA PRO A 90 -19.106 6.143 8.098 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -21.514 7.918 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -19.867 8.244 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -20.946 9.547 6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -19.250 9.104 6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -21.557 7.757 5.416 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -19.939 8.073 4.822 1.00 0.00 H new ATOM 1468 N LYS A 91 -20.566 4.241 8.574 1.00 0.00 N ATOM 1469 CA LYS A 91 -21.370 3.143 9.122 1.00 0.00 C ATOM 1470 C LYS A 91 -22.176 2.459 8.017 1.00 0.00 C ATOM 1471 O LYS A 91 -22.522 1.268 8.174 1.00 0.00 O ATOM 1472 CB LYS A 91 -22.296 3.639 10.244 1.00 0.00 C ATOM 1473 CG LYS A 91 -23.127 2.545 10.895 1.00 0.00 C ATOM 1474 CD LYS A 91 -24.615 2.826 10.761 1.00 0.00 C ATOM 1475 CE LYS A 91 -25.367 1.615 10.230 1.00 0.00 C ATOM 1476 NZ LYS A 91 -25.115 1.398 8.781 1.00 0.00 N ATOM 1477 OXT LYS A 91 -22.451 3.105 6.987 1.00 0.00 O ATOM 0 H LYS A 91 -19.579 4.007 8.465 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.687 2.410 9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.692 4.125 11.010 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.967 4.396 9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -22.893 1.585 10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.864 2.465 11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -25.021 3.111 11.732 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -24.767 3.672 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.067 0.728 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -26.436 1.750 10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.813 0.725 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.198 2.303 8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.158 1.014 8.649 1.00 0.00 H new TER 1491 LYS A 91 HETATM 1492 ZN ZN A 92 7.136 -0.256 -1.233 1.00 0.00 ZN