USER MOD reduce.3.24.130724 H: found=0, std=0, add=314, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 308 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 110 TYR OH : rot 180:sc= 0.125 USER MOD Set 1.2: A 141 GLN : amide:sc=-0.00485 X(o=0.12,f=0.33) USER MOD Set 2.1: A 108 CYS SG : rot -164:sc= 2.05 USER MOD Set 2.2: A 111 CYS SG : rot 180:sc= 0.648 USER MOD Set 2.3: A 134 CYS SG : rot -86:sc= 0.877 USER MOD Set 2.4: A 137 CYS SG : rot 151:sc= 0.404 USER MOD Set 3.1: A 92 CYS SG : rot 142:sc= 1.8 USER MOD Set 3.2: A 95 CYS SG : rot -13:sc= 0.736 USER MOD Set 3.3: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 3.4: A 116 CYS SG : rot -132:sc= 0.737 USER MOD Set 3.5: A 119 CYS SG : rot 86:sc= -1.72 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.796 X(o=-0.8,f=-1) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0255 (180deg=-0.322) USER MOD Single : A 99 LYS NZ :NH3+ 162:sc= -0.0557 (180deg=-0.368) USER MOD Single : A 106 HIS :FLIP no HE2:sc= -3.08 F(o=-4.9!,f=-3.1) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.259 F(o=-2.4,f=-0.26) USER MOD Single : A 109 SER OG : rot 107:sc= 1.24 USER MOD Single : A 112 GLN : amide:sc= -0.0435 K(o=-0.044,f=-0.71) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -1.77! X(o=-1.8!,f=-1.7) USER MOD Single : A 139 LYS NZ :NH3+ 162:sc= -0.0402 (180deg=-0.344) USER MOD Single : A 140 GLN : amide:sc= 0.769 K(o=0.77,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 101 N PRO A 90 -12.372 1.073 1.009 1.00 0.00 N ATOM 102 CA PRO A 90 -11.085 0.679 0.444 1.00 0.00 C ATOM 103 C PRO A 90 -10.703 -0.737 0.850 1.00 0.00 C ATOM 104 O PRO A 90 -11.004 -1.172 1.962 1.00 0.00 O ATOM 105 CB PRO A 90 -10.096 1.686 1.038 1.00 0.00 C ATOM 106 CG PRO A 90 -10.893 2.581 1.941 1.00 0.00 C ATOM 107 CD PRO A 90 -12.189 1.874 2.219 1.00 0.00 C ATOM 0 HA PRO A 90 -11.101 0.682 -0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.309 1.176 1.593 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.609 2.262 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.353 2.776 2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.073 3.546 1.468 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.130 1.253 3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.010 2.575 2.371 1.00 0.00 H new ATOM 115 N THR A 91 -10.011 -1.444 -0.036 1.00 0.00 N ATOM 116 CA THR A 91 -9.628 -2.822 0.243 1.00 0.00 C ATOM 117 C THR A 91 -8.205 -3.139 -0.196 1.00 0.00 C ATOM 118 O THR A 91 -7.663 -2.525 -1.115 1.00 0.00 O ATOM 119 CB THR A 91 -10.587 -3.813 -0.438 1.00 0.00 C ATOM 120 OG1 THR A 91 -10.885 -3.376 -1.769 1.00 0.00 O ATOM 121 CG2 THR A 91 -11.871 -3.950 0.363 1.00 0.00 C ATOM 0 H THR A 91 -9.707 -1.091 -0.943 1.00 0.00 H new ATOM 0 HA THR A 91 -9.685 -2.931 1.326 1.00 0.00 H new ATOM 0 HB THR A 91 -10.100 -4.787 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 91 -11.495 -4.015 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 91 -12.537 -4.655 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 91 -11.639 -4.315 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 91 -12.360 -2.979 0.435 1.00 0.00 H new ATOM 129 N CYS A 92 -7.618 -4.115 0.485 1.00 0.00 N ATOM 130 CA CYS A 92 -6.267 -4.572 0.198 1.00 0.00 C ATOM 131 C CYS A 92 -6.243 -5.414 -1.078 1.00 0.00 C ATOM 132 O CYS A 92 -7.118 -6.254 -1.290 1.00 0.00 O ATOM 133 CB CYS A 92 -5.763 -5.393 1.385 1.00 0.00 C ATOM 134 SG CYS A 92 -4.108 -6.083 1.190 1.00 0.00 S ATOM 0 H CYS A 92 -8.068 -4.612 1.254 1.00 0.00 H new ATOM 0 HA CYS A 92 -5.617 -3.711 0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -5.775 -4.762 2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.462 -6.210 1.565 1.00 0.00 H new ATOM 0 HG CYS A 92 -3.479 -6.030 2.326 1.00 0.00 H new ATOM 139 N GLY A 93 -5.228 -5.199 -1.915 1.00 0.00 N ATOM 140 CA GLY A 93 -5.121 -5.938 -3.166 1.00 0.00 C ATOM 141 C GLY A 93 -4.436 -7.286 -3.013 1.00 0.00 C ATOM 142 O GLY A 93 -3.998 -7.881 -3.998 1.00 0.00 O ATOM 0 H GLY A 93 -4.478 -4.527 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.119 -6.090 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.568 -5.337 -3.888 1.00 0.00 H new ATOM 146 N ILE A 94 -4.342 -7.767 -1.779 1.00 0.00 N ATOM 147 CA ILE A 94 -3.714 -9.047 -1.495 1.00 0.00 C ATOM 148 C ILE A 94 -4.678 -9.963 -0.747 1.00 0.00 C ATOM 149 O ILE A 94 -5.160 -10.955 -1.292 1.00 0.00 O ATOM 150 CB ILE A 94 -2.430 -8.862 -0.658 1.00 0.00 C ATOM 151 CG1 ILE A 94 -1.408 -8.035 -1.430 1.00 0.00 C ATOM 152 CG2 ILE A 94 -1.832 -10.208 -0.273 1.00 0.00 C ATOM 153 CD1 ILE A 94 -1.623 -6.541 -1.323 1.00 0.00 C ATOM 0 H ILE A 94 -4.697 -7.283 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.449 -9.503 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.696 -8.332 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.410 -8.276 -1.065 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.441 -8.323 -2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.929 -10.050 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.555 -10.772 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.584 -10.767 -1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.857 -6.021 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.607 -6.286 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.560 -6.238 -0.278 1.00 0.00 H new ATOM 165 N CYS A 95 -4.948 -9.620 0.506 1.00 0.00 N ATOM 166 CA CYS A 95 -5.856 -10.405 1.334 1.00 0.00 C ATOM 167 C CYS A 95 -7.304 -9.923 1.200 1.00 0.00 C ATOM 168 O CYS A 95 -8.228 -10.577 1.683 1.00 0.00 O ATOM 169 CB CYS A 95 -5.416 -10.371 2.803 1.00 0.00 C ATOM 170 SG CYS A 95 -4.987 -8.714 3.432 1.00 0.00 S ATOM 0 H CYS A 95 -4.552 -8.804 0.972 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.814 -11.434 0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.217 -10.782 3.418 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.553 -11.026 2.925 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.869 -7.888 2.435 1.00 0.00 H new ATOM 175 N HIS A 96 -7.497 -8.778 0.541 1.00 0.00 N ATOM 176 CA HIS A 96 -8.832 -8.223 0.340 1.00 0.00 C ATOM 177 C HIS A 96 -9.632 -8.207 1.639 1.00 0.00 C ATOM 178 O HIS A 96 -10.862 -8.226 1.618 1.00 0.00 O ATOM 179 CB HIS A 96 -9.585 -9.024 -0.723 1.00 0.00 C ATOM 180 CG HIS A 96 -10.937 -8.467 -1.046 1.00 0.00 C ATOM 181 ND1 HIS A 96 -12.111 -9.146 -0.798 1.00 0.00 N ATOM 182 CD2 HIS A 96 -11.298 -7.285 -1.599 1.00 0.00 C ATOM 183 CE1 HIS A 96 -13.135 -8.407 -1.186 1.00 0.00 C ATOM 184 NE2 HIS A 96 -12.669 -7.273 -1.674 1.00 0.00 N ATOM 0 H HIS A 96 -6.744 -8.219 0.139 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.714 -7.194 0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.987 -9.056 -1.634 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.697 -10.052 -0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.632 -6.498 -1.921 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.177 -8.684 -1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -13.235 -6.511 -2.047 1.00 0.00 H new ATOM 193 N LYS A 97 -8.931 -8.163 2.766 1.00 0.00 N ATOM 194 CA LYS A 97 -9.584 -8.142 4.069 1.00 0.00 C ATOM 195 C LYS A 97 -9.426 -6.778 4.729 1.00 0.00 C ATOM 196 O LYS A 97 -10.411 -6.097 5.018 1.00 0.00 O ATOM 197 CB LYS A 97 -9.006 -9.231 4.975 1.00 0.00 C ATOM 198 CG LYS A 97 -9.574 -9.211 6.385 1.00 0.00 C ATOM 199 CD LYS A 97 -8.971 -10.309 7.247 1.00 0.00 C ATOM 200 CE LYS A 97 -9.495 -10.246 8.672 1.00 0.00 C ATOM 201 NZ LYS A 97 -9.143 -8.962 9.337 1.00 0.00 N ATOM 0 H LYS A 97 -7.912 -8.141 2.804 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.646 -8.335 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.200 -10.206 4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.924 -9.113 5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.380 -8.241 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.656 -9.333 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.204 -11.282 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.885 -10.214 7.253 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.578 -10.367 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.085 -11.077 9.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.270 -9.057 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.151 -8.725 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.761 -8.205 8.980 1.00 0.00 H new ATOM 215 N THR A 98 -8.181 -6.383 4.966 1.00 0.00 N ATOM 216 CA THR A 98 -7.890 -5.102 5.590 1.00 0.00 C ATOM 217 C THR A 98 -8.367 -3.945 4.715 1.00 0.00 C ATOM 218 O THR A 98 -7.887 -3.759 3.596 1.00 0.00 O ATOM 219 CB THR A 98 -6.379 -4.950 5.867 1.00 0.00 C ATOM 220 OG1 THR A 98 -5.949 -5.955 6.793 1.00 0.00 O ATOM 221 CG2 THR A 98 -6.057 -3.571 6.425 1.00 0.00 C ATOM 0 H THR A 98 -7.355 -6.935 4.734 1.00 0.00 H new ATOM 0 HA THR A 98 -8.427 -5.074 6.538 1.00 0.00 H new ATOM 0 HB THR A 98 -5.849 -5.070 4.922 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.989 -5.854 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.986 -3.494 6.610 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.357 -2.809 5.706 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.598 -3.421 7.359 1.00 0.00 H new ATOM 229 N LYS A 99 -9.319 -3.176 5.233 1.00 0.00 N ATOM 230 CA LYS A 99 -9.860 -2.034 4.510 1.00 0.00 C ATOM 231 C LYS A 99 -9.143 -0.759 4.930 1.00 0.00 C ATOM 232 O LYS A 99 -9.001 -0.480 6.119 1.00 0.00 O ATOM 233 CB LYS A 99 -11.360 -1.904 4.772 1.00 0.00 C ATOM 234 CG LYS A 99 -12.146 -3.143 4.384 1.00 0.00 C ATOM 235 CD LYS A 99 -13.588 -3.061 4.858 1.00 0.00 C ATOM 236 CE LYS A 99 -14.338 -4.356 4.587 1.00 0.00 C ATOM 237 NZ LYS A 99 -13.742 -5.508 5.319 1.00 0.00 N ATOM 0 H LYS A 99 -9.732 -3.325 6.154 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.703 -2.191 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.521 -1.697 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.746 -1.049 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.125 -3.264 3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.671 -4.025 4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.609 -2.844 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -14.091 -2.236 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.381 -4.240 4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.330 -4.563 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.431 -6.286 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.887 -5.830 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.492 -5.214 6.285 1.00 0.00 H new ATOM 251 N PHE A 100 -8.694 0.013 3.949 1.00 0.00 N ATOM 252 CA PHE A 100 -7.981 1.253 4.235 1.00 0.00 C ATOM 253 C PHE A 100 -8.890 2.247 4.951 1.00 0.00 C ATOM 254 O PHE A 100 -10.114 2.116 4.923 1.00 0.00 O ATOM 255 CB PHE A 100 -7.432 1.879 2.952 1.00 0.00 C ATOM 256 CG PHE A 100 -6.831 0.886 1.996 1.00 0.00 C ATOM 257 CD1 PHE A 100 -5.978 -0.108 2.449 1.00 0.00 C ATOM 258 CD2 PHE A 100 -7.110 0.957 0.640 1.00 0.00 C ATOM 259 CE1 PHE A 100 -5.413 -1.010 1.568 1.00 0.00 C ATOM 260 CE2 PHE A 100 -6.551 0.057 -0.244 1.00 0.00 C ATOM 261 CZ PHE A 100 -5.702 -0.928 0.218 1.00 0.00 C ATOM 0 H PHE A 100 -8.809 -0.194 2.957 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.143 1.010 4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.237 2.413 2.447 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.675 2.618 3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.752 -0.178 3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.773 1.726 0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.747 -1.778 1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.778 0.123 -1.298 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.264 -1.633 -0.473 1.00 0.00 H new ATOM 311 N GLY A 105 -5.306 3.470 1.488 1.00 0.00 N ATOM 312 CA GLY A 105 -4.317 2.878 2.372 1.00 0.00 C ATOM 313 C GLY A 105 -2.897 3.036 1.866 1.00 0.00 C ATOM 314 O GLY A 105 -2.503 4.114 1.420 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.398 3.337 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.537 1.817 2.495 1.00 0.00 H new ATOM 318 N HIS A 106 -2.128 1.954 1.936 1.00 0.00 N ATOM 319 CA HIS A 106 -0.739 1.964 1.488 1.00 0.00 C ATOM 320 C HIS A 106 -0.632 1.433 0.064 1.00 0.00 C ATOM 321 O HIS A 106 -1.163 0.369 -0.252 1.00 0.00 O ATOM 322 CB HIS A 106 0.123 1.122 2.432 1.00 0.00 C ATOM 323 CG HIS A 106 0.034 1.559 3.862 1.00 0.00 C ATOM 324 ND1 HIS A 106 0.566 2.631 4.497 1.00 0.00 N flip ATOM 325 CD2 HIS A 106 -0.673 0.863 4.819 1.00 0.00 C flip ATOM 326 CE1 HIS A 106 0.173 2.563 5.811 1.00 0.00 C flip ATOM 327 NE2 HIS A 106 -0.574 1.488 5.979 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.445 1.055 2.300 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.377 2.992 1.501 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.183 0.078 2.358 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.162 1.174 2.107 1.00 0.00 H new ATOM 0 HD1 HIS A 106 1.150 3.354 4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.222 -0.051 4.647 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.433 3.274 6.582 1.00 0.00 H new ATOM 336 N ASN A 107 0.058 2.180 -0.794 1.00 0.00 N ATOM 337 CA ASN A 107 0.214 1.785 -2.188 1.00 0.00 C ATOM 338 C ASN A 107 1.680 1.551 -2.539 1.00 0.00 C ATOM 339 O ASN A 107 2.551 2.342 -2.177 1.00 0.00 O ATOM 340 CB ASN A 107 -0.378 2.855 -3.109 1.00 0.00 C ATOM 341 CG ASN A 107 -1.739 3.354 -2.641 1.00 0.00 C ATOM 342 OD1 ASN A 107 -2.503 2.491 -1.974 1.00 0.00 O flip ATOM 343 ND2 ASN A 107 -2.099 4.506 -2.880 1.00 0.00 N flip ATOM 0 H ASN A 107 0.516 3.058 -0.549 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.323 0.847 -2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 107 0.311 3.697 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.472 2.448 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.484 5.136 -3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.013 4.831 -2.564 1.00 0.00 H new ATOM 350 N CYS A 108 1.942 0.458 -3.250 1.00 0.00 N ATOM 351 CA CYS A 108 3.298 0.117 -3.661 1.00 0.00 C ATOM 352 C CYS A 108 3.943 1.268 -4.424 1.00 0.00 C ATOM 353 O CYS A 108 3.382 1.774 -5.396 1.00 0.00 O ATOM 354 CB CYS A 108 3.283 -1.132 -4.544 1.00 0.00 C ATOM 355 SG CYS A 108 4.925 -1.787 -4.916 1.00 0.00 S ATOM 0 H CYS A 108 1.231 -0.207 -3.553 1.00 0.00 H new ATOM 0 HA CYS A 108 3.882 -0.078 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.697 -1.907 -4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.776 -0.897 -5.480 1.00 0.00 H new ATOM 0 HG CYS A 108 4.845 -2.617 -5.913 1.00 0.00 H new ATOM 360 N SER A 109 5.128 1.675 -3.980 1.00 0.00 N ATOM 361 CA SER A 109 5.855 2.765 -4.618 1.00 0.00 C ATOM 362 C SER A 109 6.133 2.463 -6.089 1.00 0.00 C ATOM 363 O SER A 109 6.429 3.368 -6.869 1.00 0.00 O ATOM 364 CB SER A 109 7.175 3.017 -3.888 1.00 0.00 C ATOM 365 OG SER A 109 7.856 4.133 -4.434 1.00 0.00 O ATOM 0 H SER A 109 5.606 1.264 -3.178 1.00 0.00 H new ATOM 0 HA SER A 109 5.231 3.657 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.981 3.188 -2.829 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.807 2.132 -3.958 1.00 0.00 H new ATOM 0 HG SER A 109 7.789 4.891 -3.817 1.00 0.00 H new ATOM 371 N TYR A 110 6.041 1.190 -6.465 1.00 0.00 N ATOM 372 CA TYR A 110 6.296 0.786 -7.842 1.00 0.00 C ATOM 373 C TYR A 110 5.018 0.315 -8.536 1.00 0.00 C ATOM 374 O TYR A 110 4.482 1.004 -9.404 1.00 0.00 O ATOM 375 CB TYR A 110 7.352 -0.322 -7.876 1.00 0.00 C ATOM 376 CG TYR A 110 8.632 0.040 -7.155 1.00 0.00 C ATOM 377 CD1 TYR A 110 8.752 -0.136 -5.781 1.00 0.00 C ATOM 378 CD2 TYR A 110 9.721 0.556 -7.846 1.00 0.00 C ATOM 379 CE1 TYR A 110 9.919 0.193 -5.117 1.00 0.00 C ATOM 380 CE2 TYR A 110 10.892 0.887 -7.190 1.00 0.00 C ATOM 381 CZ TYR A 110 10.986 0.704 -5.826 1.00 0.00 C ATOM 382 OH TYR A 110 12.150 1.032 -5.171 1.00 0.00 O ATOM 0 H TYR A 110 5.793 0.425 -5.838 1.00 0.00 H new ATOM 0 HA TYR A 110 6.667 1.657 -8.383 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.935 -1.224 -7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.584 -0.560 -8.914 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.919 -0.537 -5.223 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.652 0.701 -8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.995 0.051 -4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.729 1.287 -7.743 1.00 0.00 H new ATOM 0 HH TYR A 110 12.802 1.377 -5.816 1.00 0.00 H new ATOM 392 N CYS A 111 4.539 -0.866 -8.154 1.00 0.00 N ATOM 393 CA CYS A 111 3.327 -1.437 -8.737 1.00 0.00 C ATOM 394 C CYS A 111 2.127 -0.513 -8.557 1.00 0.00 C ATOM 395 O CYS A 111 1.163 -0.579 -9.319 1.00 0.00 O ATOM 396 CB CYS A 111 3.014 -2.790 -8.094 1.00 0.00 C ATOM 397 SG CYS A 111 4.456 -3.885 -7.899 1.00 0.00 S ATOM 0 H CYS A 111 4.974 -1.449 -7.439 1.00 0.00 H new ATOM 0 HA CYS A 111 3.511 -1.565 -9.804 1.00 0.00 H new ATOM 0 HB2 CYS A 111 2.569 -2.618 -7.114 1.00 0.00 H new ATOM 0 HB3 CYS A 111 2.265 -3.301 -8.699 1.00 0.00 H new ATOM 0 HG CYS A 111 4.082 -5.000 -7.344 1.00 0.00 H new ATOM 402 N GLN A 112 2.190 0.339 -7.535 1.00 0.00 N ATOM 403 CA GLN A 112 1.104 1.269 -7.233 1.00 0.00 C ATOM 404 C GLN A 112 -0.138 0.535 -6.717 1.00 0.00 C ATOM 405 O GLN A 112 -1.191 1.145 -6.535 1.00 0.00 O ATOM 406 CB GLN A 112 0.736 2.099 -8.468 1.00 0.00 C ATOM 407 CG GLN A 112 1.890 2.916 -9.026 1.00 0.00 C ATOM 408 CD GLN A 112 2.390 3.962 -8.049 1.00 0.00 C ATOM 409 OE1 GLN A 112 1.633 4.463 -7.217 1.00 0.00 O ATOM 410 NE2 GLN A 112 3.670 4.300 -8.148 1.00 0.00 N ATOM 0 H GLN A 112 2.985 0.404 -6.900 1.00 0.00 H new ATOM 0 HA GLN A 112 1.461 1.936 -6.448 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.367 1.431 -9.246 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.082 2.772 -8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.710 2.248 -9.288 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.572 3.406 -9.946 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.261 3.859 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 112 4.063 5.001 -7.519 1.00 0.00 H new ATOM 419 N THR A 113 -0.016 -0.773 -6.482 1.00 0.00 N ATOM 420 CA THR A 113 -1.132 -1.567 -5.990 1.00 0.00 C ATOM 421 C THR A 113 -1.522 -1.150 -4.578 1.00 0.00 C ATOM 422 O THR A 113 -0.669 -0.767 -3.777 1.00 0.00 O ATOM 423 CB THR A 113 -0.805 -3.071 -5.995 1.00 0.00 C ATOM 424 OG1 THR A 113 -0.440 -3.489 -7.316 1.00 0.00 O ATOM 425 CG2 THR A 113 -1.997 -3.883 -5.512 1.00 0.00 C ATOM 0 H THR A 113 0.845 -1.300 -6.626 1.00 0.00 H new ATOM 0 HA THR A 113 -1.967 -1.385 -6.666 1.00 0.00 H new ATOM 0 HB THR A 113 0.031 -3.242 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.232 -4.447 -7.310 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.744 -4.943 -5.524 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.254 -3.582 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 113 -2.848 -3.706 -6.169 1.00 0.00 H new ATOM 433 N LYS A 114 -2.812 -1.227 -4.276 1.00 0.00 N ATOM 434 CA LYS A 114 -3.306 -0.857 -2.957 1.00 0.00 C ATOM 435 C LYS A 114 -3.233 -2.035 -1.993 1.00 0.00 C ATOM 436 O LYS A 114 -3.973 -3.009 -2.130 1.00 0.00 O ATOM 437 CB LYS A 114 -4.742 -0.345 -3.052 1.00 0.00 C ATOM 438 CG LYS A 114 -4.955 0.668 -4.166 1.00 0.00 C ATOM 439 CD LYS A 114 -6.374 1.212 -4.167 1.00 0.00 C ATOM 440 CE LYS A 114 -6.614 2.142 -5.345 1.00 0.00 C ATOM 441 NZ LYS A 114 -7.982 2.731 -5.320 1.00 0.00 N ATOM 0 H LYS A 114 -3.533 -1.542 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.670 -0.061 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.411 -1.191 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.021 0.109 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.250 1.491 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.744 0.201 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.082 0.384 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.560 1.747 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.874 2.942 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.473 1.592 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.105 3.359 -6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.689 1.969 -5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.109 3.277 -4.444 1.00 0.00 H new ATOM 455 N PHE A 115 -2.336 -1.938 -1.016 1.00 0.00 N ATOM 456 CA PHE A 115 -2.168 -2.997 -0.027 1.00 0.00 C ATOM 457 C PHE A 115 -2.224 -2.442 1.391 1.00 0.00 C ATOM 458 O PHE A 115 -2.090 -1.238 1.610 1.00 0.00 O ATOM 459 CB PHE A 115 -0.853 -3.749 -0.247 1.00 0.00 C ATOM 460 CG PHE A 115 0.378 -2.888 -0.193 1.00 0.00 C ATOM 461 CD1 PHE A 115 0.753 -2.252 0.981 1.00 0.00 C ATOM 462 CD2 PHE A 115 1.170 -2.726 -1.319 1.00 0.00 C ATOM 463 CE1 PHE A 115 1.895 -1.474 1.029 1.00 0.00 C ATOM 464 CE2 PHE A 115 2.310 -1.947 -1.274 1.00 0.00 C ATOM 465 CZ PHE A 115 2.673 -1.322 -0.101 1.00 0.00 C ATOM 0 H PHE A 115 -1.716 -1.138 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.994 -3.697 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.767 -4.531 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.891 -4.245 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 115 0.146 -2.366 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.893 -3.214 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.178 -0.986 1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.917 -1.828 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 115 3.565 -0.714 -0.066 1.00 0.00 H new ATOM 475 N CYS A 116 -2.425 -3.338 2.352 1.00 0.00 N ATOM 476 CA CYS A 116 -2.515 -2.962 3.756 1.00 0.00 C ATOM 477 C CYS A 116 -1.132 -2.913 4.401 1.00 0.00 C ATOM 478 O CYS A 116 -0.141 -3.328 3.801 1.00 0.00 O ATOM 479 CB CYS A 116 -3.410 -3.949 4.510 1.00 0.00 C ATOM 480 SG CYS A 116 -2.791 -5.664 4.516 1.00 0.00 S ATOM 0 H CYS A 116 -2.529 -4.338 2.180 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.953 -1.966 3.812 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -3.518 -3.610 5.540 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -4.404 -3.935 4.064 1.00 0.00 H new ATOM 0 HG CYS A 116 -3.755 -6.474 4.194 1.00 0.00 H new ATOM 485 N ALA A 117 -1.077 -2.414 5.630 1.00 0.00 N ATOM 486 CA ALA A 117 0.181 -2.306 6.358 1.00 0.00 C ATOM 487 C ALA A 117 0.834 -3.672 6.567 1.00 0.00 C ATOM 488 O ALA A 117 2.016 -3.753 6.901 1.00 0.00 O ATOM 489 CB ALA A 117 -0.047 -1.619 7.696 1.00 0.00 C ATOM 0 H ALA A 117 -1.891 -2.077 6.144 1.00 0.00 H new ATOM 0 HA ALA A 117 0.863 -1.705 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.899 -1.543 8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.450 -0.620 7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.754 -2.201 8.288 1.00 0.00 H new ATOM 495 N ARG A 118 0.068 -4.743 6.369 1.00 0.00 N ATOM 496 CA ARG A 118 0.592 -6.093 6.546 1.00 0.00 C ATOM 497 C ARG A 118 1.085 -6.685 5.227 1.00 0.00 C ATOM 498 O ARG A 118 1.827 -7.667 5.224 1.00 0.00 O ATOM 499 CB ARG A 118 -0.475 -7.005 7.156 1.00 0.00 C ATOM 500 CG ARG A 118 -0.821 -6.664 8.597 1.00 0.00 C ATOM 501 CD ARG A 118 -1.820 -7.654 9.175 1.00 0.00 C ATOM 502 NE ARG A 118 -2.025 -7.458 10.607 1.00 0.00 N ATOM 503 CZ ARG A 118 -2.624 -8.347 11.393 1.00 0.00 C ATOM 504 NH1 ARG A 118 -3.076 -9.486 10.884 1.00 0.00 N ATOM 505 NH2 ARG A 118 -2.772 -8.101 12.687 1.00 0.00 N ATOM 0 H ARG A 118 -0.912 -4.702 6.088 1.00 0.00 H new ATOM 0 HA ARG A 118 1.442 -6.026 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.380 -6.946 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -0.127 -8.037 7.110 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.086 -6.665 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.235 -5.657 8.645 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -2.773 -7.551 8.656 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.468 -8.670 8.996 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.690 -6.591 11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -2.964 -9.680 9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -3.536 -10.168 11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -2.426 -7.227 13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -3.232 -8.786 13.287 1.00 0.00 H new ATOM 519 N CYS A 119 0.677 -6.093 4.108 1.00 0.00 N ATOM 520 CA CYS A 119 1.095 -6.584 2.801 1.00 0.00 C ATOM 521 C CYS A 119 2.091 -5.634 2.151 1.00 0.00 C ATOM 522 O CYS A 119 2.106 -5.465 0.932 1.00 0.00 O ATOM 523 CB CYS A 119 -0.114 -6.776 1.891 1.00 0.00 C ATOM 524 SG CYS A 119 -1.179 -8.178 2.361 1.00 0.00 S ATOM 0 H CYS A 119 0.062 -5.279 4.081 1.00 0.00 H new ATOM 0 HA CYS A 119 1.585 -7.547 2.947 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -0.709 -5.863 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 119 0.233 -6.924 0.868 1.00 0.00 H new ATOM 0 HG CYS A 119 -2.043 -7.788 3.250 1.00 0.00 H new ATOM 529 N GLY A 120 2.924 -5.016 2.978 1.00 0.00 N ATOM 530 CA GLY A 120 3.922 -4.089 2.477 1.00 0.00 C ATOM 531 C GLY A 120 4.704 -3.428 3.594 1.00 0.00 C ATOM 532 O GLY A 120 4.351 -3.557 4.766 1.00 0.00 O ATOM 0 H GLY A 120 2.927 -5.140 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.610 -4.620 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.433 -3.323 1.875 1.00 0.00 H new ATOM 536 N GLY A 121 5.768 -2.717 3.235 1.00 0.00 N ATOM 537 CA GLY A 121 6.581 -2.049 4.236 1.00 0.00 C ATOM 538 C GLY A 121 6.850 -0.595 3.902 1.00 0.00 C ATOM 539 O GLY A 121 6.837 -0.206 2.734 1.00 0.00 O ATOM 0 H GLY A 121 6.081 -2.591 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 121 6.080 -2.108 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.530 -2.575 4.336 1.00 0.00 H new ATOM 543 N ARG A 122 7.095 0.209 4.932 1.00 0.00 N ATOM 544 CA ARG A 122 7.372 1.629 4.749 1.00 0.00 C ATOM 545 C ARG A 122 8.865 1.869 4.549 1.00 0.00 C ATOM 546 O ARG A 122 9.699 1.213 5.174 1.00 0.00 O ATOM 547 CB ARG A 122 6.875 2.426 5.957 1.00 0.00 C ATOM 548 CG ARG A 122 7.219 3.905 5.894 1.00 0.00 C ATOM 549 CD ARG A 122 6.759 4.637 7.144 1.00 0.00 C ATOM 550 NE ARG A 122 5.308 4.596 7.301 1.00 0.00 N ATOM 551 CZ ARG A 122 4.651 5.283 8.229 1.00 0.00 C ATOM 552 NH1 ARG A 122 5.314 6.053 9.081 1.00 0.00 N ATOM 553 NH2 ARG A 122 3.329 5.200 8.307 1.00 0.00 N ATOM 0 H ARG A 122 7.107 -0.100 5.904 1.00 0.00 H new ATOM 0 HA ARG A 122 6.844 1.965 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.793 2.316 6.034 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.304 2.000 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.296 4.025 5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.751 4.352 5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.231 4.191 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 122 7.089 5.675 7.098 1.00 0.00 H new ATOM 0 HE ARG A 122 4.770 4.008 6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.330 6.119 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.808 6.580 9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.816 4.608 7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 122 2.826 5.728 9.020 1.00 0.00 H new ATOM 700 N MET A 131 7.430 6.316 1.161 1.00 0.00 N ATOM 701 CA MET A 131 6.885 5.398 0.167 1.00 0.00 C ATOM 702 C MET A 131 6.850 3.975 0.706 1.00 0.00 C ATOM 703 O MET A 131 7.764 3.538 1.404 1.00 0.00 O ATOM 704 CB MET A 131 7.715 5.446 -1.114 1.00 0.00 C ATOM 705 CG MET A 131 7.901 6.849 -1.657 1.00 0.00 C ATOM 706 SD MET A 131 8.584 6.865 -3.325 1.00 0.00 S ATOM 707 CE MET A 131 8.554 8.619 -3.689 1.00 0.00 C ATOM 0 HA MET A 131 5.865 5.711 -0.057 1.00 0.00 H new ATOM 0 HB2 MET A 131 8.693 5.006 -0.921 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.233 4.831 -1.874 1.00 0.00 H new ATOM 0 HG2 MET A 131 6.940 7.364 -1.657 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.562 7.406 -0.993 1.00 0.00 H new ATOM 0 HE1 MET A 131 8.948 8.789 -4.691 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.528 8.984 -3.635 1.00 0.00 H new ATOM 0 HE3 MET A 131 9.167 9.152 -2.963 1.00 0.00 H new ATOM 717 N TRP A 132 5.787 3.261 0.371 1.00 0.00 N ATOM 718 CA TRP A 132 5.613 1.887 0.823 1.00 0.00 C ATOM 719 C TRP A 132 6.004 0.887 -0.262 1.00 0.00 C ATOM 720 O TRP A 132 5.902 1.172 -1.455 1.00 0.00 O ATOM 721 CB TRP A 132 4.170 1.657 1.265 1.00 0.00 C ATOM 722 CG TRP A 132 3.891 2.166 2.644 1.00 0.00 C ATOM 723 CD1 TRP A 132 3.820 3.469 3.045 1.00 0.00 C ATOM 724 CD2 TRP A 132 3.651 1.372 3.806 1.00 0.00 C ATOM 725 NE1 TRP A 132 3.550 3.532 4.391 1.00 0.00 N ATOM 726 CE2 TRP A 132 3.440 2.256 4.881 1.00 0.00 C ATOM 727 CE3 TRP A 132 3.592 -0.003 4.041 1.00 0.00 C ATOM 728 CZ2 TRP A 132 3.176 1.806 6.172 1.00 0.00 C ATOM 729 CZ3 TRP A 132 3.329 -0.449 5.321 1.00 0.00 C ATOM 730 CH2 TRP A 132 3.122 0.452 6.374 1.00 0.00 C ATOM 0 H TRP A 132 5.028 3.611 -0.214 1.00 0.00 H new ATOM 0 HA TRP A 132 6.275 1.727 1.674 1.00 0.00 H new ATOM 0 HB2 TRP A 132 3.498 2.147 0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 132 3.950 0.590 1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 132 3.956 4.324 2.400 1.00 0.00 H new ATOM 0 HE1 TRP A 132 3.448 4.388 4.936 1.00 0.00 H new ATOM 0 HE3 TRP A 132 3.749 -0.705 3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 3.019 2.499 6.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 3.282 -1.511 5.514 1.00 0.00 H new ATOM 0 HH2 TRP A 132 2.916 0.072 7.364 1.00 0.00 H new ATOM 741 N VAL A 133 6.450 -0.287 0.171 1.00 0.00 N ATOM 742 CA VAL A 133 6.868 -1.347 -0.741 1.00 0.00 C ATOM 743 C VAL A 133 6.146 -2.654 -0.409 1.00 0.00 C ATOM 744 O VAL A 133 6.266 -3.173 0.701 1.00 0.00 O ATOM 745 CB VAL A 133 8.402 -1.555 -0.662 1.00 0.00 C ATOM 746 CG1 VAL A 133 8.841 -2.840 -1.358 1.00 0.00 C ATOM 747 CG2 VAL A 133 9.125 -0.357 -1.257 1.00 0.00 C ATOM 0 H VAL A 133 6.532 -0.531 1.158 1.00 0.00 H new ATOM 0 HA VAL A 133 6.605 -1.049 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 133 8.667 -1.649 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 133 9.923 -2.946 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 133 8.357 -3.694 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 133 8.557 -2.800 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.202 -0.515 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 133 8.834 -0.238 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 133 8.858 0.542 -0.701 1.00 0.00 H new ATOM 757 N CYS A 134 5.398 -3.183 -1.375 1.00 0.00 N ATOM 758 CA CYS A 134 4.671 -4.429 -1.163 1.00 0.00 C ATOM 759 C CYS A 134 5.639 -5.567 -0.872 1.00 0.00 C ATOM 760 O CYS A 134 6.805 -5.523 -1.264 1.00 0.00 O ATOM 761 CB CYS A 134 3.796 -4.774 -2.374 1.00 0.00 C ATOM 762 SG CYS A 134 4.721 -5.191 -3.889 1.00 0.00 S ATOM 0 H CYS A 134 5.281 -2.773 -2.301 1.00 0.00 H new ATOM 0 HA CYS A 134 4.018 -4.292 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 134 3.154 -5.616 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 134 3.142 -3.928 -2.585 1.00 0.00 H new ATOM 0 HG CYS A 134 4.997 -4.102 -4.542 1.00 0.00 H new ATOM 767 N ASN A 135 5.144 -6.585 -0.181 1.00 0.00 N ATOM 768 CA ASN A 135 5.958 -7.743 0.180 1.00 0.00 C ATOM 769 C ASN A 135 6.643 -8.367 -1.036 1.00 0.00 C ATOM 770 O ASN A 135 7.628 -9.092 -0.895 1.00 0.00 O ATOM 771 CB ASN A 135 5.098 -8.790 0.889 1.00 0.00 C ATOM 772 CG ASN A 135 4.622 -8.321 2.248 1.00 0.00 C ATOM 773 OD1 ASN A 135 5.289 -7.529 2.914 1.00 0.00 O ATOM 774 ND2 ASN A 135 3.461 -8.809 2.670 1.00 0.00 N ATOM 0 H ASN A 135 4.178 -6.634 0.143 1.00 0.00 H new ATOM 0 HA ASN A 135 6.740 -7.394 0.854 1.00 0.00 H new ATOM 0 HB2 ASN A 135 4.235 -9.029 0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 135 5.672 -9.709 1.005 1.00 0.00 H new ATOM 0 HD21 ASN A 135 3.090 -8.529 3.578 1.00 0.00 H new ATOM 0 HD22 ASN A 135 2.940 -9.463 2.086 1.00 0.00 H new ATOM 781 N LEU A 136 6.129 -8.078 -2.228 1.00 0.00 N ATOM 782 CA LEU A 136 6.700 -8.627 -3.455 1.00 0.00 C ATOM 783 C LEU A 136 7.894 -7.800 -3.915 1.00 0.00 C ATOM 784 O LEU A 136 8.851 -8.333 -4.478 1.00 0.00 O ATOM 785 CB LEU A 136 5.639 -8.666 -4.555 1.00 0.00 C ATOM 786 CG LEU A 136 4.240 -9.060 -4.084 1.00 0.00 C ATOM 787 CD1 LEU A 136 3.240 -8.942 -5.219 1.00 0.00 C ATOM 788 CD2 LEU A 136 4.248 -10.473 -3.522 1.00 0.00 C ATOM 0 H LEU A 136 5.322 -7.470 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 136 7.042 -9.641 -3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.586 -7.683 -5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 136 5.959 -9.369 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 136 3.938 -8.375 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 136 2.250 -9.227 -4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 136 3.215 -7.912 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 136 3.536 -9.602 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.244 -10.739 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.571 -11.170 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 136 4.934 -10.525 -2.677 1.00 0.00 H new ATOM 800 N CYS A 137 7.832 -6.497 -3.673 1.00 0.00 N ATOM 801 CA CYS A 137 8.914 -5.597 -4.053 1.00 0.00 C ATOM 802 C CYS A 137 9.934 -5.488 -2.931 1.00 0.00 C ATOM 803 O CYS A 137 11.132 -5.347 -3.175 1.00 0.00 O ATOM 804 CB CYS A 137 8.365 -4.210 -4.395 1.00 0.00 C ATOM 805 SG CYS A 137 7.545 -4.118 -6.016 1.00 0.00 S ATOM 0 H CYS A 137 7.044 -6.039 -3.215 1.00 0.00 H new ATOM 0 HA CYS A 137 9.404 -6.008 -4.936 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.656 -3.911 -3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 137 9.184 -3.491 -4.372 1.00 0.00 H new ATOM 0 HG CYS A 137 6.626 -3.199 -5.986 1.00 0.00 H new ATOM 810 N ARG A 138 9.445 -5.554 -1.699 1.00 0.00 N ATOM 811 CA ARG A 138 10.307 -5.470 -0.530 1.00 0.00 C ATOM 812 C ARG A 138 11.298 -6.628 -0.511 1.00 0.00 C ATOM 813 O ARG A 138 12.475 -6.447 -0.202 1.00 0.00 O ATOM 814 CB ARG A 138 9.462 -5.478 0.746 1.00 0.00 C ATOM 815 CG ARG A 138 10.267 -5.247 2.014 1.00 0.00 C ATOM 816 CD ARG A 138 9.383 -5.307 3.248 1.00 0.00 C ATOM 817 NE ARG A 138 8.819 -6.637 3.456 1.00 0.00 N ATOM 818 CZ ARG A 138 8.247 -7.026 4.590 1.00 0.00 C ATOM 819 NH1 ARG A 138 8.163 -6.186 5.614 1.00 0.00 N ATOM 820 NH2 ARG A 138 7.757 -8.252 4.702 1.00 0.00 N ATOM 0 H ARG A 138 8.454 -5.666 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 138 10.868 -4.537 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 138 8.695 -4.708 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 138 8.946 -6.435 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 138 11.053 -5.998 2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.759 -4.276 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.964 -5.019 4.124 1.00 0.00 H new ATOM 0 HD3 ARG A 138 8.575 -4.582 3.150 1.00 0.00 H new ATOM 0 HE ARG A 138 8.867 -7.306 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 138 8.538 -5.241 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 138 7.724 -6.485 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 138 7.819 -8.900 3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 138 7.318 -8.548 5.574 1.00 0.00 H new ATOM 834 N LYS A 139 10.812 -7.819 -0.848 1.00 0.00 N ATOM 835 CA LYS A 139 11.655 -9.009 -0.878 1.00 0.00 C ATOM 836 C LYS A 139 12.447 -9.067 -2.181 1.00 0.00 C ATOM 837 O LYS A 139 13.677 -9.121 -2.171 1.00 0.00 O ATOM 838 CB LYS A 139 10.798 -10.268 -0.728 1.00 0.00 C ATOM 839 CG LYS A 139 11.579 -11.499 -0.286 1.00 0.00 C ATOM 840 CD LYS A 139 12.716 -11.820 -1.241 1.00 0.00 C ATOM 841 CE LYS A 139 13.366 -13.153 -0.906 1.00 0.00 C ATOM 842 NZ LYS A 139 12.429 -14.294 -1.107 1.00 0.00 N ATOM 0 H LYS A 139 9.839 -7.985 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 139 12.356 -8.958 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 139 10.007 -10.073 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 139 10.313 -10.481 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 139 11.980 -11.335 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 139 10.905 -12.353 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.338 -11.845 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.464 -11.028 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 139 14.248 -13.294 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 139 13.707 -13.141 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 12.970 -15.180 -1.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 11.769 -14.346 -0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 11.894 -14.153 -1.988 1.00 0.00 H new ATOM 856 N GLN A 140 11.732 -9.046 -3.301 1.00 0.00 N ATOM 857 CA GLN A 140 12.366 -9.098 -4.614 1.00 0.00 C ATOM 858 C GLN A 140 13.472 -8.053 -4.727 1.00 0.00 C ATOM 859 O GLN A 140 14.413 -8.213 -5.504 1.00 0.00 O ATOM 860 CB GLN A 140 11.325 -8.879 -5.716 1.00 0.00 C ATOM 861 CG GLN A 140 11.902 -8.938 -7.121 1.00 0.00 C ATOM 862 CD GLN A 140 12.536 -10.279 -7.434 1.00 0.00 C ATOM 863 OE1 GLN A 140 11.876 -11.191 -7.931 1.00 0.00 O ATOM 864 NE2 GLN A 140 13.827 -10.405 -7.145 1.00 0.00 N ATOM 0 H GLN A 140 10.714 -8.993 -3.326 1.00 0.00 H new ATOM 0 HA GLN A 140 12.811 -10.085 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 140 10.544 -9.634 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 140 10.850 -7.909 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 140 11.111 -8.737 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 140 12.648 -8.152 -7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 140 14.336 -9.623 -6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 140 14.309 -11.284 -7.335 1.00 0.00 H new ATOM 873 N GLN A 141 13.351 -6.982 -3.947 1.00 0.00 N ATOM 874 CA GLN A 141 14.343 -5.912 -3.961 1.00 0.00 C ATOM 875 C GLN A 141 15.130 -5.873 -2.650 1.00 0.00 C ATOM 876 O GLN A 141 15.764 -4.869 -2.327 1.00 0.00 O ATOM 877 CB GLN A 141 13.661 -4.563 -4.205 1.00 0.00 C ATOM 878 CG GLN A 141 14.631 -3.424 -4.485 1.00 0.00 C ATOM 879 CD GLN A 141 13.936 -2.154 -4.945 1.00 0.00 C ATOM 880 OE1 GLN A 141 14.485 -1.387 -5.734 1.00 0.00 O ATOM 881 NE2 GLN A 141 12.724 -1.921 -4.449 1.00 0.00 N ATOM 0 H GLN A 141 12.578 -6.833 -3.299 1.00 0.00 H new ATOM 0 HA GLN A 141 15.043 -6.111 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 141 12.977 -4.660 -5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 141 13.059 -4.308 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 141 15.204 -3.212 -3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 141 15.343 -3.739 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 141 12.304 -2.583 -3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 141 12.215 -1.080 -4.721 1.00 0.00 H new ATOM 890 N GLU A 142 15.091 -6.970 -1.898 1.00 0.00 N ATOM 891 CA GLU A 142 15.803 -7.046 -0.627 1.00 0.00 C ATOM 892 C GLU A 142 15.470 -5.847 0.255 1.00 0.00 C ATOM 893 O GLU A 142 16.171 -4.819 0.145 1.00 0.00 O ATOM 894 CB GLU A 142 17.313 -7.113 -0.866 1.00 0.00 C ATOM 895 CG GLU A 142 17.761 -8.365 -1.604 1.00 0.00 C ATOM 896 CD GLU A 142 17.142 -8.484 -2.984 1.00 0.00 C ATOM 897 OE1 GLU A 142 17.717 -7.927 -3.943 1.00 0.00 O ATOM 898 OE2 GLU A 142 16.083 -9.135 -3.105 1.00 0.00 O ATOM 899 OXT GLU A 142 14.510 -5.945 1.048 1.00 0.00 O ATOM 0 H GLU A 142 14.576 -7.815 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 142 15.483 -7.953 -0.114 1.00 0.00 H new ATOM 0 HB2 GLU A 142 17.621 -6.236 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 142 17.826 -7.065 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 142 18.847 -8.358 -1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 142 17.497 -9.243 -1.015 1.00 0.00 H new