USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 424 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 237 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 268 ASN : amide:sc= -2.48 K(o=-2.5,f=-8.9!) USER MOD Set 2.1: A 245 CYS SG : rot -10:sc= -0.587 USER MOD Set 2.2: A 247 HIS : no HD1:sc= -7.75! C(o=-18!,f=-18!) USER MOD Set 2.3: A 248 CYS SG : rot -65:sc= 1.72 USER MOD Set 2.4: A 250 THR OG1 : rot 91:sc= 1.15 USER MOD Set 2.5: A 270 HIS : no HD1:sc= -10.6! C(o=-18!,f=-20!) USER MOD Set 2.6: A 273 CYS SG : rot -161:sc= -1.63 USER MOD Set 3.1: A 239 TYR OH : rot -16:sc= 1.22 USER MOD Set 3.2: A 258 GLN : amide:sc= -0.916! C(o=0.3!,f=-3.8!) USER MOD Set 4.1: A 232 HIS : no HD1:sc= 0.0824 K(o=-6.9,f=-8.8) USER MOD Set 4.2: A 262 CYS SG : rot 167:sc= -2.45! USER MOD Set 4.3: A 265 CYS SG : rot -56:sc= 0.366 USER MOD Set 4.4: A 267 MET CE :methyl 166:sc= -0.406 (180deg=-1.02) USER MOD Set 4.5: A 281 CYS SG : rot 51:sc= -4.49! USER MOD Single : A 230 MET CE :methyl -164:sc= -0.0223 (180deg=-0.386) USER MOD Single : A 235 LYS NZ :NH3+ -150:sc= -0.348 (180deg=-1.58!) USER MOD Single : A 238 ASN : amide:sc= 0.506 K(o=0.51,f=-5.2!) USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 243 THR OG1 : rot 180:sc= 0 USER MOD Single : A 271 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-4!) USER MOD Single : A 274 GLN : amide:sc= -3.08! C(o=-3.1!,f=-2.2!) USER MOD Single : A 275 THR OG1 : rot -36:sc= 0.58 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN : amide:sc=-0.000515 X(o=-0.00052,f=-0.083) USER MOD Single : A 284 ASN : amide:sc= -2.23! C(o=-2.2!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 229 -4.006 -14.314 -9.652 1.00 0.00 N ATOM 108 CA ASP A 229 -4.157 -12.890 -9.373 1.00 0.00 C ATOM 109 C ASP A 229 -2.881 -12.318 -8.763 1.00 0.00 C ATOM 110 O ASP A 229 -2.280 -12.924 -7.876 1.00 0.00 O ATOM 111 CB ASP A 229 -5.337 -12.656 -8.429 1.00 0.00 C ATOM 112 CG ASP A 229 -5.093 -13.223 -7.045 1.00 0.00 C ATOM 113 OD1 ASP A 229 -4.565 -14.351 -6.950 1.00 0.00 O ATOM 114 OD2 ASP A 229 -5.429 -12.538 -6.056 1.00 0.00 O ATOM 0 HA ASP A 229 -4.349 -12.378 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -5.529 -11.586 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -6.233 -13.111 -8.852 1.00 0.00 H new ATOM 119 N MET A 230 -2.473 -11.149 -9.246 1.00 0.00 N ATOM 120 CA MET A 230 -1.268 -10.496 -8.748 1.00 0.00 C ATOM 121 C MET A 230 -1.547 -9.038 -8.394 1.00 0.00 C ATOM 122 O MET A 230 -2.327 -8.352 -9.054 1.00 0.00 O ATOM 123 CB MET A 230 -0.151 -10.575 -9.790 1.00 0.00 C ATOM 124 CG MET A 230 0.575 -11.910 -9.803 1.00 0.00 C ATOM 125 SD MET A 230 2.208 -11.806 -10.560 1.00 0.00 S ATOM 126 CE MET A 230 1.832 -10.893 -12.054 1.00 0.00 C ATOM 0 H MET A 230 -2.959 -10.635 -9.981 1.00 0.00 H new ATOM 0 HA MET A 230 -0.949 -11.017 -7.845 1.00 0.00 H new ATOM 0 HB2 MET A 230 -0.573 -10.391 -10.778 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.570 -9.780 -9.598 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.675 -12.274 -8.781 1.00 0.00 H new ATOM 0 HG3 MET A 230 -0.026 -12.641 -10.344 1.00 0.00 H new ATOM 0 HE1 MET A 230 2.659 -10.990 -12.758 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.923 -11.291 -12.505 1.00 0.00 H new ATOM 0 HE3 MET A 230 1.685 -9.841 -11.810 1.00 0.00 H new ATOM 136 N PRO A 231 -0.895 -8.553 -7.327 1.00 0.00 N ATOM 137 CA PRO A 231 -1.057 -7.172 -6.861 1.00 0.00 C ATOM 138 C PRO A 231 -0.440 -6.161 -7.821 1.00 0.00 C ATOM 139 O PRO A 231 0.256 -6.532 -8.767 1.00 0.00 O ATOM 140 CB PRO A 231 -0.316 -7.160 -5.522 1.00 0.00 C ATOM 141 CG PRO A 231 0.687 -8.256 -5.634 1.00 0.00 C ATOM 142 CD PRO A 231 0.050 -9.314 -6.493 1.00 0.00 C ATOM 0 HA PRO A 231 -2.107 -6.888 -6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.166 -6.199 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -0.999 -7.332 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.612 -7.894 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.943 -8.653 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.789 -9.838 -7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.460 -10.066 -5.892 1.00 0.00 H new ATOM 150 N HIS A 232 -0.698 -4.881 -7.572 1.00 0.00 N ATOM 151 CA HIS A 232 -0.167 -3.815 -8.414 1.00 0.00 C ATOM 152 C HIS A 232 1.148 -3.283 -7.852 1.00 0.00 C ATOM 153 O HIS A 232 1.208 -2.835 -6.706 1.00 0.00 O ATOM 154 CB HIS A 232 -1.181 -2.678 -8.535 1.00 0.00 C ATOM 155 CG HIS A 232 -2.379 -3.029 -9.363 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.330 -3.175 -10.734 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.663 -3.265 -9.007 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.532 -3.484 -11.185 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.360 -3.545 -10.157 1.00 0.00 N ATOM 0 H HIS A 232 -1.272 -4.557 -6.794 1.00 0.00 H new ATOM 0 HA HIS A 232 0.022 -4.229 -9.405 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.511 -2.389 -7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.689 -1.809 -8.972 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.065 -3.238 -8.005 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.794 -3.657 -12.218 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.355 -3.764 -10.209 1.00 0.00 H new ATOM 167 N ARG A 233 2.198 -3.335 -8.664 1.00 0.00 N ATOM 168 CA ARG A 233 3.512 -2.860 -8.246 1.00 0.00 C ATOM 169 C ARG A 233 3.523 -1.340 -8.114 1.00 0.00 C ATOM 170 O ARG A 233 4.111 -0.639 -8.938 1.00 0.00 O ATOM 171 CB ARG A 233 4.580 -3.304 -9.247 1.00 0.00 C ATOM 172 CG ARG A 233 4.956 -4.772 -9.126 1.00 0.00 C ATOM 173 CD ARG A 233 6.180 -5.104 -9.965 1.00 0.00 C ATOM 174 NE ARG A 233 6.390 -6.545 -10.080 1.00 0.00 N ATOM 175 CZ ARG A 233 6.918 -7.290 -9.116 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.288 -6.734 -7.971 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.077 -8.595 -9.296 1.00 0.00 N ATOM 0 H ARG A 233 2.165 -3.701 -9.615 1.00 0.00 H new ATOM 0 HA ARG A 233 3.735 -3.294 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.221 -3.112 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.474 -2.696 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 233 5.153 -5.013 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.117 -5.391 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.065 -4.674 -10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 233 7.061 -4.644 -9.518 1.00 0.00 H new ATOM 0 HE ARG A 233 6.116 -7.004 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 233 7.167 -5.731 -7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.693 -7.309 -7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.794 -9.027 -10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 233 7.483 -9.166 -8.555 1.00 0.00 H new ATOM 191 N PHE A 234 2.869 -0.837 -7.073 1.00 0.00 N ATOM 192 CA PHE A 234 2.802 0.600 -6.833 1.00 0.00 C ATOM 193 C PHE A 234 4.100 1.109 -6.213 1.00 0.00 C ATOM 194 O PHE A 234 4.617 0.526 -5.259 1.00 0.00 O ATOM 195 CB PHE A 234 1.622 0.932 -5.918 1.00 0.00 C ATOM 196 CG PHE A 234 0.290 0.865 -6.609 1.00 0.00 C ATOM 197 CD1 PHE A 234 0.063 1.581 -7.774 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.734 0.086 -6.095 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.162 1.522 -8.411 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.961 0.023 -6.729 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.175 0.741 -7.889 1.00 0.00 C ATOM 0 H PHE A 234 2.377 -1.403 -6.381 1.00 0.00 H new ATOM 0 HA PHE A 234 2.659 1.097 -7.793 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.620 0.241 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.760 1.933 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.852 2.191 -8.188 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.572 -0.479 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.327 2.086 -9.317 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.751 -0.587 -6.317 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.132 0.692 -8.387 1.00 0.00 H new ATOM 211 N LYS A 235 4.623 2.200 -6.761 1.00 0.00 N ATOM 212 CA LYS A 235 5.860 2.790 -6.263 1.00 0.00 C ATOM 213 C LYS A 235 5.817 4.312 -6.363 1.00 0.00 C ATOM 214 O LYS A 235 5.499 4.866 -7.415 1.00 0.00 O ATOM 215 CB LYS A 235 7.058 2.251 -7.048 1.00 0.00 C ATOM 216 CG LYS A 235 7.562 0.910 -6.544 1.00 0.00 C ATOM 217 CD LYS A 235 8.203 0.100 -7.659 1.00 0.00 C ATOM 218 CE LYS A 235 9.648 0.515 -7.890 1.00 0.00 C ATOM 219 NZ LYS A 235 9.746 1.883 -8.470 1.00 0.00 N ATOM 0 H LYS A 235 4.209 2.694 -7.551 1.00 0.00 H new ATOM 0 HA LYS A 235 5.967 2.516 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.780 2.154 -8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.870 2.977 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 235 8.287 1.069 -5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 235 6.733 0.347 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 235 8.163 -0.960 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 235 7.634 0.232 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 235 10.191 0.481 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 235 10.128 -0.199 -8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 10.598 1.948 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 8.905 2.075 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 9.804 2.582 -7.702 1.00 0.00 H new ATOM 233 N VAL A 236 6.139 4.982 -5.262 1.00 0.00 N ATOM 234 CA VAL A 236 6.139 6.440 -5.226 1.00 0.00 C ATOM 235 C VAL A 236 7.114 7.014 -6.248 1.00 0.00 C ATOM 236 O VAL A 236 8.320 6.779 -6.171 1.00 0.00 O ATOM 237 CB VAL A 236 6.509 6.967 -3.827 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.899 8.436 -3.896 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.356 6.757 -2.857 1.00 0.00 C ATOM 0 H VAL A 236 6.403 4.539 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 236 5.127 6.763 -5.471 1.00 0.00 H new ATOM 0 HB VAL A 236 7.368 6.405 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.157 8.791 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.758 8.554 -4.557 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.062 9.017 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.635 7.135 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.477 7.292 -3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.129 5.693 -2.786 1.00 0.00 H new ATOM 249 N TYR A 237 6.584 7.769 -7.204 1.00 0.00 N ATOM 250 CA TYR A 237 7.406 8.376 -8.243 1.00 0.00 C ATOM 251 C TYR A 237 6.868 9.750 -8.631 1.00 0.00 C ATOM 252 O TYR A 237 5.677 10.024 -8.490 1.00 0.00 O ATOM 253 CB TYR A 237 7.460 7.470 -9.475 1.00 0.00 C ATOM 254 CG TYR A 237 6.354 7.737 -10.471 1.00 0.00 C ATOM 255 CD1 TYR A 237 5.026 7.795 -10.065 1.00 0.00 C ATOM 256 CD2 TYR A 237 6.637 7.931 -11.817 1.00 0.00 C ATOM 257 CE1 TYR A 237 4.012 8.038 -10.972 1.00 0.00 C ATOM 258 CE2 TYR A 237 5.630 8.176 -12.731 1.00 0.00 C ATOM 259 CZ TYR A 237 4.319 8.228 -12.303 1.00 0.00 C ATOM 260 OH TYR A 237 3.312 8.471 -13.210 1.00 0.00 O ATOM 0 H TYR A 237 5.588 7.975 -7.280 1.00 0.00 H new ATOM 0 HA TYR A 237 8.414 8.500 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 237 8.422 7.600 -9.970 1.00 0.00 H new ATOM 0 HB3 TYR A 237 7.405 6.430 -9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 237 4.782 7.648 -9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 237 7.662 7.890 -12.155 1.00 0.00 H new ATOM 0 HE1 TYR A 237 2.985 8.079 -10.640 1.00 0.00 H new ATOM 0 HE2 TYR A 237 5.867 8.326 -13.774 1.00 0.00 H new ATOM 0 HH TYR A 237 3.697 8.583 -14.104 1.00 0.00 H new ATOM 270 N ASN A 238 7.755 10.609 -9.121 1.00 0.00 N ATOM 271 CA ASN A 238 7.371 11.955 -9.530 1.00 0.00 C ATOM 272 C ASN A 238 7.006 11.990 -11.011 1.00 0.00 C ATOM 273 O ASN A 238 7.821 11.653 -11.870 1.00 0.00 O ATOM 274 CB ASN A 238 8.508 12.940 -9.250 1.00 0.00 C ATOM 275 CG ASN A 238 9.817 12.506 -9.879 1.00 0.00 C ATOM 276 OD1 ASN A 238 10.224 11.350 -9.758 1.00 0.00 O ATOM 277 ND2 ASN A 238 10.484 13.433 -10.556 1.00 0.00 N ATOM 0 H ASN A 238 8.745 10.397 -9.245 1.00 0.00 H new ATOM 0 HA ASN A 238 6.495 12.248 -8.951 1.00 0.00 H new ATOM 0 HB2 ASN A 238 8.234 13.924 -9.630 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.641 13.040 -8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 238 11.371 13.200 -11.002 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.109 14.379 -10.631 1.00 0.00 H new ATOM 284 N TYR A 239 5.776 12.400 -11.302 1.00 0.00 N ATOM 285 CA TYR A 239 5.303 12.478 -12.679 1.00 0.00 C ATOM 286 C TYR A 239 4.930 13.911 -13.047 1.00 0.00 C ATOM 287 O TYR A 239 5.022 14.821 -12.222 1.00 0.00 O ATOM 288 CB TYR A 239 4.096 11.559 -12.878 1.00 0.00 C ATOM 289 CG TYR A 239 2.771 12.227 -12.586 1.00 0.00 C ATOM 290 CD1 TYR A 239 2.506 12.771 -11.335 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.784 12.312 -13.560 1.00 0.00 C ATOM 292 CE1 TYR A 239 1.297 13.382 -11.064 1.00 0.00 C ATOM 293 CE2 TYR A 239 0.573 12.922 -13.298 1.00 0.00 C ATOM 294 CZ TYR A 239 0.334 13.455 -12.049 1.00 0.00 C ATOM 295 OH TYR A 239 -0.872 14.062 -11.783 1.00 0.00 O ATOM 0 H TYR A 239 5.089 12.683 -10.603 1.00 0.00 H new ATOM 0 HA TYR A 239 6.112 12.153 -13.333 1.00 0.00 H new ATOM 0 HB2 TYR A 239 4.092 11.196 -13.906 1.00 0.00 H new ATOM 0 HB3 TYR A 239 4.204 10.687 -12.233 1.00 0.00 H new ATOM 0 HD1 TYR A 239 3.258 12.715 -10.562 1.00 0.00 H new ATOM 0 HD2 TYR A 239 1.967 11.894 -14.539 1.00 0.00 H new ATOM 0 HE1 TYR A 239 1.107 13.800 -10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -0.183 12.981 -14.067 1.00 0.00 H new ATOM 0 HH TYR A 239 -0.986 14.152 -10.814 1.00 0.00 H new ATOM 305 N LYS A 240 4.508 14.104 -14.292 1.00 0.00 N ATOM 306 CA LYS A 240 4.119 15.425 -14.772 1.00 0.00 C ATOM 307 C LYS A 240 2.692 15.410 -15.309 1.00 0.00 C ATOM 308 O LYS A 240 2.099 14.347 -15.492 1.00 0.00 O ATOM 309 CB LYS A 240 5.082 15.898 -15.863 1.00 0.00 C ATOM 310 CG LYS A 240 6.512 16.069 -15.381 1.00 0.00 C ATOM 311 CD LYS A 240 7.332 16.900 -16.353 1.00 0.00 C ATOM 312 CE LYS A 240 7.808 16.068 -17.534 1.00 0.00 C ATOM 313 NZ LYS A 240 9.063 15.329 -17.222 1.00 0.00 N ATOM 0 H LYS A 240 4.427 13.362 -14.987 1.00 0.00 H new ATOM 0 HA LYS A 240 4.164 16.118 -13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 240 5.068 15.181 -16.684 1.00 0.00 H new ATOM 0 HB3 LYS A 240 4.726 16.848 -16.263 1.00 0.00 H new ATOM 0 HG2 LYS A 240 6.512 16.548 -14.402 1.00 0.00 H new ATOM 0 HG3 LYS A 240 6.975 15.090 -15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 240 6.733 17.736 -16.714 1.00 0.00 H new ATOM 0 HD3 LYS A 240 8.192 17.324 -15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 240 7.030 15.359 -17.816 1.00 0.00 H new ATOM 0 HE3 LYS A 240 7.973 16.718 -18.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 9.355 14.774 -18.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 9.813 16.007 -16.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 8.899 14.690 -16.418 1.00 0.00 H new ATOM 327 N SER A 241 2.147 16.596 -15.563 1.00 0.00 N ATOM 328 CA SER A 241 0.788 16.718 -16.078 1.00 0.00 C ATOM 329 C SER A 241 -0.222 16.151 -15.085 1.00 0.00 C ATOM 330 O SER A 241 0.052 15.197 -14.358 1.00 0.00 O ATOM 331 CB SER A 241 0.662 15.995 -17.420 1.00 0.00 C ATOM 332 OG SER A 241 -0.661 15.533 -17.628 1.00 0.00 O ATOM 0 H SER A 241 2.626 17.485 -15.421 1.00 0.00 H new ATOM 0 HA SER A 241 0.574 17.777 -16.222 1.00 0.00 H new ATOM 0 HB2 SER A 241 0.946 16.669 -18.228 1.00 0.00 H new ATOM 0 HB3 SER A 241 1.353 15.153 -17.449 1.00 0.00 H new ATOM 0 HG SER A 241 -0.716 15.076 -18.493 1.00 0.00 H new ATOM 338 N PRO A 242 -1.421 16.753 -15.053 1.00 0.00 N ATOM 339 CA PRO A 242 -2.497 16.326 -14.155 1.00 0.00 C ATOM 340 C PRO A 242 -3.078 14.973 -14.549 1.00 0.00 C ATOM 341 O PRO A 242 -3.178 14.648 -15.733 1.00 0.00 O ATOM 342 CB PRO A 242 -3.549 17.427 -14.314 1.00 0.00 C ATOM 343 CG PRO A 242 -3.300 17.996 -15.668 1.00 0.00 C ATOM 344 CD PRO A 242 -1.817 17.897 -15.892 1.00 0.00 C ATOM 0 HA PRO A 242 -2.146 16.197 -13.131 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.559 17.024 -14.233 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.446 18.188 -13.540 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -3.848 17.442 -16.431 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -3.635 19.032 -15.724 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -1.580 17.726 -16.942 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -1.304 18.811 -15.594 1.00 0.00 H new ATOM 352 N THR A 243 -3.462 14.184 -13.549 1.00 0.00 N ATOM 353 CA THR A 243 -4.033 12.865 -13.792 1.00 0.00 C ATOM 354 C THR A 243 -5.198 12.589 -12.849 1.00 0.00 C ATOM 355 O THR A 243 -5.126 12.879 -11.655 1.00 0.00 O ATOM 356 CB THR A 243 -2.976 11.757 -13.623 1.00 0.00 C ATOM 357 OG1 THR A 243 -3.300 10.640 -14.460 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.894 11.304 -12.174 1.00 0.00 C ATOM 0 H THR A 243 -3.388 14.436 -12.563 1.00 0.00 H new ATOM 0 HA THR A 243 -4.393 12.860 -14.821 1.00 0.00 H new ATOM 0 HB THR A 243 -2.007 12.161 -13.916 1.00 0.00 H new ATOM 0 HG1 THR A 243 -2.623 9.940 -14.349 1.00 0.00 H new ATOM 0 HG21 THR A 243 -2.141 10.521 -12.079 1.00 0.00 H new ATOM 0 HG22 THR A 243 -2.620 12.150 -11.543 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.862 10.916 -11.859 1.00 0.00 H new ATOM 366 N PHE A 244 -6.272 12.025 -13.392 1.00 0.00 N ATOM 367 CA PHE A 244 -7.454 11.709 -12.599 1.00 0.00 C ATOM 368 C PHE A 244 -7.410 10.265 -12.109 1.00 0.00 C ATOM 369 O PHE A 244 -7.231 9.335 -12.896 1.00 0.00 O ATOM 370 CB PHE A 244 -8.723 11.943 -13.420 1.00 0.00 C ATOM 371 CG PHE A 244 -8.933 13.380 -13.804 1.00 0.00 C ATOM 372 CD1 PHE A 244 -8.159 13.967 -14.791 1.00 0.00 C ATOM 373 CD2 PHE A 244 -9.905 14.142 -13.177 1.00 0.00 C ATOM 374 CE1 PHE A 244 -8.350 15.290 -15.145 1.00 0.00 C ATOM 375 CE2 PHE A 244 -10.101 15.465 -13.527 1.00 0.00 C ATOM 376 CZ PHE A 244 -9.323 16.039 -14.513 1.00 0.00 C ATOM 0 H PHE A 244 -6.348 11.777 -14.379 1.00 0.00 H new ATOM 0 HA PHE A 244 -7.465 12.368 -11.731 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.678 11.337 -14.325 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -9.585 11.599 -12.848 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -7.398 13.385 -15.290 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -10.517 13.698 -12.406 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -7.739 15.737 -15.915 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -10.862 16.049 -13.030 1.00 0.00 H new ATOM 0 HZ PHE A 244 -9.475 17.072 -14.789 1.00 0.00 H new ATOM 386 N CYS A 245 -7.573 10.084 -10.803 1.00 0.00 N ATOM 387 CA CYS A 245 -7.552 8.754 -10.205 1.00 0.00 C ATOM 388 C CYS A 245 -8.544 7.828 -10.904 1.00 0.00 C ATOM 389 O CYS A 245 -9.756 7.981 -10.760 1.00 0.00 O ATOM 390 CB CYS A 245 -7.878 8.837 -8.713 1.00 0.00 C ATOM 391 SG CYS A 245 -7.430 7.345 -7.770 1.00 0.00 S ATOM 0 H CYS A 245 -7.721 10.843 -10.137 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.550 8.343 -10.328 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.357 9.694 -8.285 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.946 9.021 -8.595 1.00 0.00 H new ATOM 0 HG CYS A 245 -7.103 6.393 -8.593 1.00 0.00 H new ATOM 396 N GLU A 246 -8.018 6.869 -11.659 1.00 0.00 N ATOM 397 CA GLU A 246 -8.858 5.919 -12.379 1.00 0.00 C ATOM 398 C GLU A 246 -9.585 4.991 -11.410 1.00 0.00 C ATOM 399 O GLU A 246 -10.385 4.150 -11.820 1.00 0.00 O ATOM 400 CB GLU A 246 -8.013 5.095 -13.354 1.00 0.00 C ATOM 401 CG GLU A 246 -7.549 5.879 -14.570 1.00 0.00 C ATOM 402 CD GLU A 246 -8.658 6.706 -15.190 1.00 0.00 C ATOM 403 OE1 GLU A 246 -9.818 6.244 -15.182 1.00 0.00 O ATOM 404 OE2 GLU A 246 -8.366 7.816 -15.682 1.00 0.00 O ATOM 0 H GLU A 246 -7.016 6.729 -11.788 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.602 6.484 -12.941 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -7.141 4.707 -12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -8.593 4.234 -13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -6.728 6.536 -14.282 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -7.157 5.187 -15.315 1.00 0.00 H new ATOM 411 N HIS A 247 -9.301 5.151 -10.121 1.00 0.00 N ATOM 412 CA HIS A 247 -9.928 4.329 -9.092 1.00 0.00 C ATOM 413 C HIS A 247 -11.176 5.009 -8.539 1.00 0.00 C ATOM 414 O HIS A 247 -12.294 4.532 -8.735 1.00 0.00 O ATOM 415 CB HIS A 247 -8.939 4.051 -7.959 1.00 0.00 C ATOM 416 CG HIS A 247 -9.530 3.268 -6.828 1.00 0.00 C ATOM 417 ND1 HIS A 247 -9.535 1.890 -6.788 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.136 3.678 -5.689 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.120 1.485 -5.675 1.00 0.00 C ATOM 420 NE2 HIS A 247 -10.494 2.551 -4.990 1.00 0.00 N ATOM 0 H HIS A 247 -8.641 5.842 -9.764 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.223 3.383 -9.547 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.084 3.506 -8.359 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.562 4.999 -7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.306 4.701 -5.386 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -10.267 0.458 -5.376 1.00 0.00 H new ATOM 0 HE2 HIS A 247 -10.971 2.539 -4.089 1.00 0.00 H new ATOM 428 N CYS A 248 -10.978 6.125 -7.846 1.00 0.00 N ATOM 429 CA CYS A 248 -12.087 6.871 -7.263 1.00 0.00 C ATOM 430 C CYS A 248 -12.628 7.902 -8.249 1.00 0.00 C ATOM 431 O CYS A 248 -13.707 8.459 -8.052 1.00 0.00 O ATOM 432 CB CYS A 248 -11.640 7.565 -5.975 1.00 0.00 C ATOM 433 SG CYS A 248 -10.387 8.864 -6.227 1.00 0.00 S ATOM 0 H CYS A 248 -10.059 6.533 -7.674 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.884 6.165 -7.030 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.512 8.005 -5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -11.239 6.816 -5.292 1.00 0.00 H new ATOM 0 HG CYS A 248 -9.290 8.328 -6.674 1.00 0.00 H new ATOM 438 N GLY A 249 -11.869 8.151 -9.312 1.00 0.00 N ATOM 439 CA GLY A 249 -12.287 9.114 -10.313 1.00 0.00 C ATOM 440 C GLY A 249 -11.797 10.516 -10.010 1.00 0.00 C ATOM 441 O GLY A 249 -11.700 11.356 -10.906 1.00 0.00 O ATOM 0 H GLY A 249 -10.972 7.703 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.912 8.805 -11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -13.375 9.119 -10.376 1.00 0.00 H new ATOM 445 N THR A 250 -11.487 10.772 -8.743 1.00 0.00 N ATOM 446 CA THR A 250 -11.006 12.083 -8.323 1.00 0.00 C ATOM 447 C THR A 250 -9.525 12.252 -8.639 1.00 0.00 C ATOM 448 O THR A 250 -8.790 11.271 -8.765 1.00 0.00 O ATOM 449 CB THR A 250 -11.227 12.305 -6.815 1.00 0.00 C ATOM 450 OG1 THR A 250 -12.005 11.234 -6.271 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.931 13.630 -6.561 1.00 0.00 C ATOM 0 H THR A 250 -11.560 10.089 -7.989 1.00 0.00 H new ATOM 0 HA THR A 250 -11.580 12.824 -8.880 1.00 0.00 H new ATOM 0 HB THR A 250 -10.253 12.330 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 250 -11.408 10.524 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 250 -12.076 13.765 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 250 -11.322 14.446 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.899 13.629 -7.061 1.00 0.00 H new ATOM 459 N LEU A 251 -9.091 13.501 -8.765 1.00 0.00 N ATOM 460 CA LEU A 251 -7.694 13.799 -9.066 1.00 0.00 C ATOM 461 C LEU A 251 -6.796 13.445 -7.885 1.00 0.00 C ATOM 462 O LEU A 251 -7.277 13.061 -6.818 1.00 0.00 O ATOM 463 CB LEU A 251 -7.533 15.279 -9.419 1.00 0.00 C ATOM 464 CG LEU A 251 -7.749 15.645 -10.888 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.301 17.057 -11.009 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.450 15.509 -11.668 1.00 0.00 C ATOM 0 H LEU A 251 -9.685 14.324 -8.664 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.394 13.193 -9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -8.234 15.855 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.530 15.594 -9.130 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.477 14.954 -11.312 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.449 17.301 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.254 17.121 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.596 17.762 -10.568 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.623 15.773 -12.711 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.699 16.176 -11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.096 14.480 -11.608 1.00 0.00 H new ATOM 478 N LEU A 252 -5.489 13.580 -8.082 1.00 0.00 N ATOM 479 CA LEU A 252 -4.522 13.277 -7.032 1.00 0.00 C ATOM 480 C LEU A 252 -4.112 14.543 -6.287 1.00 0.00 C ATOM 481 O LEU A 252 -4.556 15.642 -6.621 1.00 0.00 O ATOM 482 CB LEU A 252 -3.287 12.600 -7.629 1.00 0.00 C ATOM 483 CG LEU A 252 -3.553 11.557 -8.715 1.00 0.00 C ATOM 484 CD1 LEU A 252 -2.243 11.046 -9.296 1.00 0.00 C ATOM 485 CD2 LEU A 252 -4.376 10.405 -8.158 1.00 0.00 C ATOM 0 H LEU A 252 -5.075 13.897 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.994 12.597 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -2.640 13.372 -8.045 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.733 12.121 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 252 -4.122 12.030 -9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -2.452 10.305 -10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -1.690 11.878 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -1.648 10.589 -8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -4.556 9.672 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -3.833 9.933 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -5.330 10.784 -7.790 1.00 0.00 H new ATOM 497 N TRP A 253 -3.262 14.381 -5.280 1.00 0.00 N ATOM 498 CA TRP A 253 -2.790 15.512 -4.489 1.00 0.00 C ATOM 499 C TRP A 253 -1.337 15.317 -4.073 1.00 0.00 C ATOM 500 O TRP A 253 -0.964 14.261 -3.563 1.00 0.00 O ATOM 501 CB TRP A 253 -3.668 15.697 -3.250 1.00 0.00 C ATOM 502 CG TRP A 253 -4.207 14.408 -2.707 1.00 0.00 C ATOM 503 CD1 TRP A 253 -3.488 13.389 -2.150 1.00 0.00 C ATOM 504 CD2 TRP A 253 -5.579 14.000 -2.671 1.00 0.00 C ATOM 505 NE1 TRP A 253 -4.330 12.372 -1.770 1.00 0.00 N ATOM 506 CE2 TRP A 253 -5.618 12.723 -2.078 1.00 0.00 C ATOM 507 CE3 TRP A 253 -6.778 14.590 -3.080 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -6.809 12.028 -1.886 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -7.959 13.898 -2.889 1.00 0.00 C ATOM 510 CH2 TRP A 253 -7.968 12.629 -2.296 1.00 0.00 C ATOM 0 H TRP A 253 -2.885 13.478 -4.992 1.00 0.00 H new ATOM 0 HA TRP A 253 -2.854 16.407 -5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.088 16.196 -2.474 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -4.501 16.355 -3.498 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -2.415 13.384 -2.026 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -4.043 11.498 -1.330 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -6.782 15.569 -3.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -6.818 11.049 -1.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -8.892 14.344 -3.203 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -8.908 12.115 -2.160 1.00 0.00 H new ATOM 521 N GLY A 254 -0.519 16.342 -4.293 1.00 0.00 N ATOM 522 CA GLY A 254 0.885 16.262 -3.934 1.00 0.00 C ATOM 523 C GLY A 254 1.790 16.848 -4.999 1.00 0.00 C ATOM 524 O GLY A 254 1.319 17.482 -5.945 1.00 0.00 O ATOM 0 H GLY A 254 -0.804 17.227 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 254 1.047 16.789 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 254 1.155 15.219 -3.766 1.00 0.00 H new ATOM 528 N LEU A 255 3.093 16.638 -4.847 1.00 0.00 N ATOM 529 CA LEU A 255 4.067 17.152 -5.803 1.00 0.00 C ATOM 530 C LEU A 255 4.958 16.031 -6.328 1.00 0.00 C ATOM 531 O LEU A 255 4.830 15.609 -7.477 1.00 0.00 O ATOM 532 CB LEU A 255 4.925 18.239 -5.153 1.00 0.00 C ATOM 533 CG LEU A 255 4.350 19.655 -5.181 1.00 0.00 C ATOM 534 CD1 LEU A 255 2.962 19.680 -4.559 1.00 0.00 C ATOM 535 CD2 LEU A 255 5.277 20.622 -4.459 1.00 0.00 C ATOM 0 H LEU A 255 3.499 16.115 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 255 3.522 17.582 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 255 5.102 17.961 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.895 18.253 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 255 4.266 19.971 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 255 2.569 20.696 -4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 255 2.300 19.019 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 255 3.021 19.343 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 255 4.851 21.625 -4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 255 5.394 20.308 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 255 6.251 20.626 -4.948 1.00 0.00 H new ATOM 547 N ALA A 256 5.860 15.551 -5.478 1.00 0.00 N ATOM 548 CA ALA A 256 6.769 14.476 -5.854 1.00 0.00 C ATOM 549 C ALA A 256 6.130 13.110 -5.623 1.00 0.00 C ATOM 550 O ALA A 256 6.348 12.175 -6.392 1.00 0.00 O ATOM 551 CB ALA A 256 8.072 14.590 -5.077 1.00 0.00 C ATOM 0 H ALA A 256 5.980 15.890 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 256 6.984 14.572 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.741 13.780 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.544 15.548 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 256 7.866 14.524 -4.009 1.00 0.00 H new ATOM 557 N ARG A 257 5.343 13.004 -4.558 1.00 0.00 N ATOM 558 CA ARG A 257 4.674 11.752 -4.224 1.00 0.00 C ATOM 559 C ARG A 257 3.192 11.814 -4.583 1.00 0.00 C ATOM 560 O ARG A 257 2.341 11.355 -3.823 1.00 0.00 O ATOM 561 CB ARG A 257 4.836 11.443 -2.735 1.00 0.00 C ATOM 562 CG ARG A 257 4.304 10.077 -2.334 1.00 0.00 C ATOM 563 CD ARG A 257 4.977 9.566 -1.070 1.00 0.00 C ATOM 564 NE ARG A 257 4.673 10.403 0.088 1.00 0.00 N ATOM 565 CZ ARG A 257 5.173 10.190 1.300 1.00 0.00 C ATOM 566 NH1 ARG A 257 5.995 9.171 1.512 1.00 0.00 N ATOM 567 NH2 ARG A 257 4.850 10.996 2.304 1.00 0.00 N ATOM 0 H ARG A 257 5.153 13.770 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 257 5.138 10.956 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 257 5.892 11.503 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.320 12.209 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 257 3.227 10.137 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG A 257 4.468 9.369 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 257 4.652 8.544 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 257 6.056 9.534 -1.221 1.00 0.00 H new ATOM 0 HE ARG A 257 4.042 11.194 -0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 257 6.245 8.549 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 257 6.378 9.010 2.444 1.00 0.00 H new ATOM 0 HH21 ARG A 257 4.217 11.780 2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 257 5.235 10.831 3.234 1.00 0.00 H new ATOM 581 N GLN A 258 2.894 12.386 -5.745 1.00 0.00 N ATOM 582 CA GLN A 258 1.515 12.510 -6.204 1.00 0.00 C ATOM 583 C GLN A 258 0.943 11.147 -6.582 1.00 0.00 C ATOM 584 O GLN A 258 0.967 10.755 -7.748 1.00 0.00 O ATOM 585 CB GLN A 258 1.436 13.459 -7.400 1.00 0.00 C ATOM 586 CG GLN A 258 0.023 13.919 -7.720 1.00 0.00 C ATOM 587 CD GLN A 258 -0.005 15.206 -8.520 1.00 0.00 C ATOM 588 OE1 GLN A 258 -0.605 15.270 -9.594 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.645 16.241 -8.000 1.00 0.00 N ATOM 0 H GLN A 258 3.588 12.771 -6.386 1.00 0.00 H new ATOM 0 HA GLN A 258 0.922 12.919 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.057 14.332 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 258 1.854 12.962 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -0.492 13.137 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -0.528 14.062 -6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 258 1.129 16.143 -7.107 1.00 0.00 H new ATOM 0 HE22 GLN A 258 0.660 17.134 -8.493 1.00 0.00 H new ATOM 598 N GLY A 259 0.430 10.429 -5.587 1.00 0.00 N ATOM 599 CA GLY A 259 -0.140 9.118 -5.836 1.00 0.00 C ATOM 600 C GLY A 259 0.920 8.053 -6.036 1.00 0.00 C ATOM 601 O GLY A 259 2.041 8.182 -5.541 1.00 0.00 O ATOM 0 H GLY A 259 0.399 10.732 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.778 8.838 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.776 9.164 -6.720 1.00 0.00 H new ATOM 605 N LEU A 260 0.567 6.998 -6.762 1.00 0.00 N ATOM 606 CA LEU A 260 1.496 5.905 -7.025 1.00 0.00 C ATOM 607 C LEU A 260 1.243 5.295 -8.400 1.00 0.00 C ATOM 608 O LEU A 260 0.110 4.959 -8.744 1.00 0.00 O ATOM 609 CB LEU A 260 1.367 4.829 -5.946 1.00 0.00 C ATOM 610 CG LEU A 260 1.375 5.325 -4.500 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.575 4.386 -3.609 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.803 5.458 -3.990 1.00 0.00 C ATOM 0 H LEU A 260 -0.356 6.876 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 260 2.508 6.309 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.440 4.281 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.184 4.119 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 260 0.906 6.309 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.592 4.755 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.456 4.340 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.015 3.389 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.790 5.812 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.297 4.487 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.346 6.170 -4.611 1.00 0.00 H new ATOM 624 N LYS A 261 2.307 5.153 -9.183 1.00 0.00 N ATOM 625 CA LYS A 261 2.203 4.580 -10.520 1.00 0.00 C ATOM 626 C LYS A 261 2.695 3.136 -10.533 1.00 0.00 C ATOM 627 O LYS A 261 3.838 2.855 -10.169 1.00 0.00 O ATOM 628 CB LYS A 261 3.010 5.413 -11.519 1.00 0.00 C ATOM 629 CG LYS A 261 3.294 4.691 -12.824 1.00 0.00 C ATOM 630 CD LYS A 261 2.011 4.350 -13.563 1.00 0.00 C ATOM 631 CE LYS A 261 2.232 4.293 -15.067 1.00 0.00 C ATOM 632 NZ LYS A 261 2.177 5.646 -15.687 1.00 0.00 N ATOM 0 H LYS A 261 3.252 5.427 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 261 1.153 4.591 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.467 6.334 -11.734 1.00 0.00 H new ATOM 0 HB3 LYS A 261 3.956 5.700 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.924 5.316 -13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.852 3.777 -12.621 1.00 0.00 H new ATOM 0 HD2 LYS A 261 1.633 3.389 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 261 1.249 5.095 -13.334 1.00 0.00 H new ATOM 0 HE2 LYS A 261 3.200 3.837 -15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.475 3.654 -15.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.332 5.565 -16.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 1.244 6.071 -15.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.916 6.248 -15.272 1.00 0.00 H new ATOM 646 N CYS A 262 1.827 2.223 -10.955 1.00 0.00 N ATOM 647 CA CYS A 262 2.172 0.809 -11.017 1.00 0.00 C ATOM 648 C CYS A 262 3.259 0.559 -12.059 1.00 0.00 C ATOM 649 O CYS A 262 3.168 1.034 -13.192 1.00 0.00 O ATOM 650 CB CYS A 262 0.934 -0.027 -11.346 1.00 0.00 C ATOM 651 SG CYS A 262 1.082 -1.786 -10.895 1.00 0.00 S ATOM 0 H CYS A 262 0.878 2.438 -11.260 1.00 0.00 H new ATOM 0 HA CYS A 262 2.554 0.512 -10.040 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.074 0.398 -10.829 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.732 0.047 -12.415 1.00 0.00 H new ATOM 0 HG CYS A 262 -0.089 -2.348 -10.949 1.00 0.00 H new ATOM 656 N ASP A 263 4.285 -0.188 -11.668 1.00 0.00 N ATOM 657 CA ASP A 263 5.389 -0.503 -12.568 1.00 0.00 C ATOM 658 C ASP A 263 5.225 -1.898 -13.162 1.00 0.00 C ATOM 659 O ASP A 263 6.150 -2.438 -13.769 1.00 0.00 O ATOM 660 CB ASP A 263 6.723 -0.403 -11.827 1.00 0.00 C ATOM 661 CG ASP A 263 7.297 1.000 -11.853 1.00 0.00 C ATOM 662 OD1 ASP A 263 6.918 1.780 -12.752 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.124 1.318 -10.974 1.00 0.00 O ATOM 0 H ASP A 263 4.376 -0.587 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 263 5.380 0.221 -13.382 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.585 -0.717 -10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 263 7.437 -1.093 -12.276 1.00 0.00 H new ATOM 668 N ALA A 264 4.043 -2.477 -12.983 1.00 0.00 N ATOM 669 CA ALA A 264 3.758 -3.809 -13.501 1.00 0.00 C ATOM 670 C ALA A 264 2.782 -3.746 -14.671 1.00 0.00 C ATOM 671 O ALA A 264 2.840 -4.567 -15.587 1.00 0.00 O ATOM 672 CB ALA A 264 3.204 -4.698 -12.398 1.00 0.00 C ATOM 0 H ALA A 264 3.267 -2.044 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 264 4.693 -4.238 -13.863 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.996 -5.690 -12.800 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.935 -4.779 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.283 -4.264 -12.009 1.00 0.00 H new ATOM 678 N CYS A 265 1.885 -2.766 -14.635 1.00 0.00 N ATOM 679 CA CYS A 265 0.895 -2.595 -15.692 1.00 0.00 C ATOM 680 C CYS A 265 0.874 -1.153 -16.189 1.00 0.00 C ATOM 681 O CYS A 265 0.854 -0.900 -17.393 1.00 0.00 O ATOM 682 CB CYS A 265 -0.494 -2.993 -15.188 1.00 0.00 C ATOM 683 SG CYS A 265 -1.117 -1.954 -13.827 1.00 0.00 S ATOM 0 H CYS A 265 1.823 -2.078 -13.885 1.00 0.00 H new ATOM 0 HA CYS A 265 1.172 -3.243 -16.523 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.198 -2.945 -16.019 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.464 -4.030 -14.855 1.00 0.00 H new ATOM 0 HG CYS A 265 -0.265 -1.967 -12.846 1.00 0.00 H new ATOM 688 N GLY A 266 0.878 -0.209 -15.252 1.00 0.00 N ATOM 689 CA GLY A 266 0.859 1.196 -15.614 1.00 0.00 C ATOM 690 C GLY A 266 -0.453 1.868 -15.261 1.00 0.00 C ATOM 691 O GLY A 266 -1.308 2.066 -16.124 1.00 0.00 O ATOM 0 H GLY A 266 0.894 -0.393 -14.249 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.675 1.710 -15.106 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.038 1.295 -16.685 1.00 0.00 H new ATOM 695 N MET A 267 -0.613 2.218 -13.989 1.00 0.00 N ATOM 696 CA MET A 267 -1.831 2.871 -13.525 1.00 0.00 C ATOM 697 C MET A 267 -1.538 3.790 -12.342 1.00 0.00 C ATOM 698 O MET A 267 -0.754 3.448 -11.458 1.00 0.00 O ATOM 699 CB MET A 267 -2.876 1.827 -13.127 1.00 0.00 C ATOM 700 CG MET A 267 -4.292 2.376 -13.068 1.00 0.00 C ATOM 701 SD MET A 267 -5.526 1.087 -12.806 1.00 0.00 S ATOM 702 CE MET A 267 -4.646 -0.001 -11.688 1.00 0.00 C ATOM 0 H MET A 267 0.085 2.060 -13.262 1.00 0.00 H new ATOM 0 HA MET A 267 -2.224 3.474 -14.343 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.844 1.003 -13.840 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.614 1.416 -12.152 1.00 0.00 H new ATOM 0 HG2 MET A 267 -4.360 3.108 -12.263 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.513 2.902 -13.997 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.346 -0.705 -11.239 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.883 -0.550 -12.240 1.00 0.00 H new ATOM 0 HE3 MET A 267 -4.172 0.589 -10.904 1.00 0.00 H new ATOM 712 N ASN A 268 -2.174 4.957 -12.334 1.00 0.00 N ATOM 713 CA ASN A 268 -1.980 5.926 -11.261 1.00 0.00 C ATOM 714 C ASN A 268 -3.191 5.959 -10.333 1.00 0.00 C ATOM 715 O ASN A 268 -4.333 6.022 -10.788 1.00 0.00 O ATOM 716 CB ASN A 268 -1.730 7.319 -11.842 1.00 0.00 C ATOM 717 CG ASN A 268 -0.669 7.312 -12.926 1.00 0.00 C ATOM 718 OD1 ASN A 268 -0.526 6.337 -13.663 1.00 0.00 O ATOM 719 ND2 ASN A 268 0.081 8.403 -13.026 1.00 0.00 N ATOM 0 H ASN A 268 -2.828 5.255 -13.058 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.109 5.620 -10.682 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.661 7.711 -12.251 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.424 7.994 -11.042 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.811 8.456 -13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -0.073 9.188 -12.393 1.00 0.00 H new ATOM 726 N VAL A 269 -2.932 5.915 -9.030 1.00 0.00 N ATOM 727 CA VAL A 269 -4.000 5.942 -8.038 1.00 0.00 C ATOM 728 C VAL A 269 -3.527 6.586 -6.739 1.00 0.00 C ATOM 729 O VAL A 269 -2.332 6.604 -6.441 1.00 0.00 O ATOM 730 CB VAL A 269 -4.521 4.525 -7.735 1.00 0.00 C ATOM 731 CG1 VAL A 269 -5.096 3.888 -8.991 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.411 3.663 -7.151 1.00 0.00 C ATOM 0 H VAL A 269 -1.992 5.861 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.810 6.536 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.319 4.600 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.459 2.887 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.921 4.496 -9.362 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.320 3.824 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.797 2.665 -6.943 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.591 3.593 -7.865 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -3.050 4.113 -6.226 1.00 0.00 H new ATOM 742 N HIS A 270 -4.473 7.114 -5.968 1.00 0.00 N ATOM 743 CA HIS A 270 -4.153 7.758 -4.699 1.00 0.00 C ATOM 744 C HIS A 270 -3.314 6.838 -3.819 1.00 0.00 C ATOM 745 O HIS A 270 -2.919 5.750 -4.239 1.00 0.00 O ATOM 746 CB HIS A 270 -5.436 8.154 -3.967 1.00 0.00 C ATOM 747 CG HIS A 270 -5.980 9.484 -4.388 1.00 0.00 C ATOM 748 ND1 HIS A 270 -7.164 9.628 -5.079 1.00 0.00 N ATOM 749 CD2 HIS A 270 -5.495 10.735 -4.210 1.00 0.00 C ATOM 750 CE1 HIS A 270 -7.384 10.910 -5.309 1.00 0.00 C ATOM 751 NE2 HIS A 270 -6.386 11.604 -4.792 1.00 0.00 N ATOM 0 H HIS A 270 -5.466 7.108 -6.200 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.573 8.656 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -6.194 7.390 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -5.241 8.173 -2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -4.578 11.001 -3.705 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -8.235 11.321 -5.831 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -6.292 12.619 -4.820 1.00 0.00 H new ATOM 759 N HIS A 271 -3.044 7.282 -2.595 1.00 0.00 N ATOM 760 CA HIS A 271 -2.250 6.498 -1.655 1.00 0.00 C ATOM 761 C HIS A 271 -3.080 5.365 -1.057 1.00 0.00 C ATOM 762 O HIS A 271 -2.571 4.270 -0.817 1.00 0.00 O ATOM 763 CB HIS A 271 -1.709 7.393 -0.540 1.00 0.00 C ATOM 764 CG HIS A 271 -0.419 8.070 -0.888 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.678 7.392 -1.377 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.055 9.371 -0.818 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.662 8.247 -1.590 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.243 9.455 -1.260 1.00 0.00 N ATOM 0 H HIS A 271 -3.363 8.180 -2.231 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.412 6.063 -2.200 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.454 8.151 -0.300 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.564 6.793 0.358 1.00 0.00 H new ATOM 0 HD1 HIS A 271 0.722 6.387 -1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.670 10.191 -0.478 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.643 8.000 -1.970 1.00 0.00 H new ATOM 776 N ARG A 272 -4.358 5.638 -0.817 1.00 0.00 N ATOM 777 CA ARG A 272 -5.257 4.643 -0.244 1.00 0.00 C ATOM 778 C ARG A 272 -5.997 3.883 -1.342 1.00 0.00 C ATOM 779 O ARG A 272 -6.144 2.662 -1.276 1.00 0.00 O ATOM 780 CB ARG A 272 -6.263 5.312 0.694 1.00 0.00 C ATOM 781 CG ARG A 272 -7.178 6.306 -0.003 1.00 0.00 C ATOM 782 CD ARG A 272 -8.442 5.634 -0.515 1.00 0.00 C ATOM 783 NE ARG A 272 -9.510 5.645 0.482 1.00 0.00 N ATOM 784 CZ ARG A 272 -10.219 6.725 0.787 1.00 0.00 C ATOM 785 NH1 ARG A 272 -9.976 7.876 0.176 1.00 0.00 N ATOM 786 NH2 ARG A 272 -11.174 6.656 1.706 1.00 0.00 N ATOM 0 H ARG A 272 -4.794 6.539 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.657 3.933 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.871 4.542 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -5.721 5.825 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.444 7.105 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -6.648 6.769 -0.835 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -8.783 6.142 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -8.218 4.605 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 272 -9.722 4.775 0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -9.243 7.933 -0.531 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -10.522 8.704 0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -11.364 5.772 2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -11.718 7.487 1.939 1.00 0.00 H new ATOM 800 N CYS A 273 -6.461 4.613 -2.350 1.00 0.00 N ATOM 801 CA CYS A 273 -7.186 4.010 -3.461 1.00 0.00 C ATOM 802 C CYS A 273 -6.458 2.773 -3.979 1.00 0.00 C ATOM 803 O CYS A 273 -7.074 1.869 -4.543 1.00 0.00 O ATOM 804 CB CYS A 273 -7.361 5.024 -4.594 1.00 0.00 C ATOM 805 SG CYS A 273 -8.575 6.335 -4.238 1.00 0.00 S ATOM 0 H CYS A 273 -6.348 5.624 -2.420 1.00 0.00 H new ATOM 0 HA CYS A 273 -8.168 3.707 -3.099 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.396 5.485 -4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.668 4.495 -5.496 1.00 0.00 H new ATOM 0 HG CYS A 273 -8.952 6.891 -5.351 1.00 0.00 H new ATOM 810 N GLN A 274 -5.144 2.741 -3.782 1.00 0.00 N ATOM 811 CA GLN A 274 -4.332 1.616 -4.229 1.00 0.00 C ATOM 812 C GLN A 274 -4.745 0.331 -3.519 1.00 0.00 C ATOM 813 O GLN A 274 -4.896 -0.718 -4.147 1.00 0.00 O ATOM 814 CB GLN A 274 -2.850 1.898 -3.978 1.00 0.00 C ATOM 815 CG GLN A 274 -2.382 1.501 -2.587 1.00 0.00 C ATOM 816 CD GLN A 274 -0.881 1.633 -2.417 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.118 0.763 -2.837 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.450 2.725 -1.797 1.00 0.00 N ATOM 0 H GLN A 274 -4.619 3.481 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.493 1.486 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.256 1.362 -4.719 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.661 2.961 -4.126 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.884 2.124 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.677 0.471 -2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.118 3.420 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.549 2.869 -1.653 1.00 0.00 H new ATOM 827 N THR A 275 -4.926 0.419 -2.205 1.00 0.00 N ATOM 828 CA THR A 275 -5.319 -0.737 -1.409 1.00 0.00 C ATOM 829 C THR A 275 -6.793 -1.070 -1.614 1.00 0.00 C ATOM 830 O THR A 275 -7.338 -1.956 -0.955 1.00 0.00 O ATOM 831 CB THR A 275 -5.063 -0.499 0.092 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.232 -1.722 0.817 1.00 0.00 O ATOM 833 CG2 THR A 275 -6.010 0.557 0.641 1.00 0.00 C ATOM 0 H THR A 275 -4.807 1.279 -1.670 1.00 0.00 H new ATOM 0 HA THR A 275 -4.709 -1.575 -1.746 1.00 0.00 H new ATOM 0 HB THR A 275 -4.039 -0.144 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 275 -5.963 -2.240 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 275 -5.811 0.708 1.702 1.00 0.00 H new ATOM 0 HG22 THR A 275 -5.859 1.495 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 275 -7.040 0.226 0.509 1.00 0.00 H new ATOM 841 N LYS A 276 -7.433 -0.356 -2.533 1.00 0.00 N ATOM 842 CA LYS A 276 -8.844 -0.577 -2.828 1.00 0.00 C ATOM 843 C LYS A 276 -9.018 -1.237 -4.193 1.00 0.00 C ATOM 844 O LYS A 276 -10.063 -1.819 -4.483 1.00 0.00 O ATOM 845 CB LYS A 276 -9.608 0.749 -2.790 1.00 0.00 C ATOM 846 CG LYS A 276 -9.620 1.405 -1.420 1.00 0.00 C ATOM 847 CD LYS A 276 -10.838 2.295 -1.239 1.00 0.00 C ATOM 848 CE LYS A 276 -12.127 1.486 -1.251 1.00 0.00 C ATOM 849 NZ LYS A 276 -13.266 2.249 -0.670 1.00 0.00 N ATOM 0 H LYS A 276 -6.997 0.381 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.248 -1.244 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.162 1.436 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.636 0.576 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.612 0.636 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.714 1.996 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.757 2.838 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -10.867 3.040 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -12.366 1.200 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -11.982 0.564 -0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -14.125 1.664 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -13.049 2.501 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -13.421 3.116 -1.223 1.00 0.00 H new ATOM 863 N VAL A 277 -7.987 -1.143 -5.026 1.00 0.00 N ATOM 864 CA VAL A 277 -8.025 -1.733 -6.359 1.00 0.00 C ATOM 865 C VAL A 277 -7.898 -3.251 -6.291 1.00 0.00 C ATOM 866 O VAL A 277 -7.402 -3.799 -5.308 1.00 0.00 O ATOM 867 CB VAL A 277 -6.901 -1.175 -7.252 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.296 -1.254 -8.719 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.569 0.256 -6.858 1.00 0.00 C ATOM 0 H VAL A 277 -7.115 -0.664 -4.802 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.989 -1.470 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.009 -1.784 -7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.490 -0.855 -9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.480 -2.293 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.201 -0.670 -8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.773 0.635 -7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.455 0.880 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.241 0.280 -5.819 1.00 0.00 H new ATOM 879 N ALA A 278 -8.350 -3.924 -7.344 1.00 0.00 N ATOM 880 CA ALA A 278 -8.286 -5.379 -7.406 1.00 0.00 C ATOM 881 C ALA A 278 -6.841 -5.862 -7.465 1.00 0.00 C ATOM 882 O ALA A 278 -5.936 -5.102 -7.805 1.00 0.00 O ATOM 883 CB ALA A 278 -9.065 -5.891 -8.608 1.00 0.00 C ATOM 0 H ALA A 278 -8.765 -3.485 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.738 -5.777 -6.498 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.008 -6.979 -8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.108 -5.584 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.638 -5.477 -9.521 1.00 0.00 H new ATOM 889 N ASN A 279 -6.632 -7.132 -7.131 1.00 0.00 N ATOM 890 CA ASN A 279 -5.296 -7.716 -7.145 1.00 0.00 C ATOM 891 C ASN A 279 -5.034 -8.442 -8.461 1.00 0.00 C ATOM 892 O ASN A 279 -4.526 -9.565 -8.473 1.00 0.00 O ATOM 893 CB ASN A 279 -5.128 -8.684 -5.973 1.00 0.00 C ATOM 894 CG ASN A 279 -5.924 -8.261 -4.754 1.00 0.00 C ATOM 895 OD1 ASN A 279 -7.075 -8.664 -4.580 1.00 0.00 O ATOM 896 ND2 ASN A 279 -5.315 -7.443 -3.904 1.00 0.00 N ATOM 0 H ASN A 279 -7.371 -7.776 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.572 -6.908 -7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.443 -9.681 -6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.073 -8.751 -5.709 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -5.802 -7.123 -3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -4.360 -7.134 -4.088 1.00 0.00 H new ATOM 903 N LEU A 280 -5.383 -7.795 -9.567 1.00 0.00 N ATOM 904 CA LEU A 280 -5.185 -8.379 -10.890 1.00 0.00 C ATOM 905 C LEU A 280 -4.364 -7.449 -11.778 1.00 0.00 C ATOM 906 O LEU A 280 -4.916 -6.651 -12.537 1.00 0.00 O ATOM 907 CB LEU A 280 -6.535 -8.671 -11.547 1.00 0.00 C ATOM 908 CG LEU A 280 -7.683 -9.013 -10.598 1.00 0.00 C ATOM 909 CD1 LEU A 280 -9.019 -8.629 -11.216 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.662 -10.493 -10.247 1.00 0.00 C ATOM 0 H LEU A 280 -5.804 -6.866 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.637 -9.314 -10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -6.825 -7.802 -12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.406 -9.500 -12.243 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.552 -8.440 -9.680 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.825 -8.880 -10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.033 -7.558 -11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.158 -9.174 -12.150 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.486 -10.718 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.767 -11.084 -11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -6.717 -10.739 -9.762 1.00 0.00 H new ATOM 922 N CYS A 281 -3.043 -7.558 -11.679 1.00 0.00 N ATOM 923 CA CYS A 281 -2.146 -6.729 -12.474 1.00 0.00 C ATOM 924 C CYS A 281 -1.747 -7.440 -13.764 1.00 0.00 C ATOM 925 O CYS A 281 -1.015 -8.429 -13.739 1.00 0.00 O ATOM 926 CB CYS A 281 -0.895 -6.375 -11.667 1.00 0.00 C ATOM 927 SG CYS A 281 0.145 -5.090 -12.432 1.00 0.00 S ATOM 0 H CYS A 281 -2.571 -8.213 -11.056 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.675 -5.812 -12.734 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.198 -6.039 -10.675 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.298 -7.276 -11.529 1.00 0.00 H new ATOM 0 HG CYS A 281 -0.593 -4.069 -12.752 1.00 0.00 H new ATOM 932 N GLY A 282 -2.234 -6.929 -14.891 1.00 0.00 N ATOM 933 CA GLY A 282 -1.918 -7.528 -16.174 1.00 0.00 C ATOM 934 C GLY A 282 -2.639 -8.843 -16.394 1.00 0.00 C ATOM 935 O GLY A 282 -2.093 -9.763 -17.003 1.00 0.00 O ATOM 0 H GLY A 282 -2.842 -6.111 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -2.184 -6.834 -16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -0.842 -7.692 -16.240 1.00 0.00 H new ATOM 939 N ILE A 283 -3.867 -8.933 -15.896 1.00 0.00 N ATOM 940 CA ILE A 283 -4.663 -10.146 -16.041 1.00 0.00 C ATOM 941 C ILE A 283 -5.766 -9.959 -17.076 1.00 0.00 C ATOM 942 O ILE A 283 -6.290 -10.929 -17.622 1.00 0.00 O ATOM 943 CB ILE A 283 -5.297 -10.566 -14.702 1.00 0.00 C ATOM 944 CG1 ILE A 283 -4.209 -10.911 -13.683 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.232 -11.748 -14.907 1.00 0.00 C ATOM 946 CD1 ILE A 283 -3.641 -12.303 -13.853 1.00 0.00 C ATOM 0 H ILE A 283 -4.333 -8.181 -15.388 1.00 0.00 H new ATOM 0 HA ILE A 283 -3.984 -10.931 -16.375 1.00 0.00 H new ATOM 0 HB ILE A 283 -5.879 -9.730 -14.314 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -3.401 -10.185 -13.767 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -4.620 -10.815 -12.678 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.673 -12.033 -13.952 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.023 -11.469 -15.603 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.671 -12.589 -15.314 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -2.876 -12.478 -13.097 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.438 -13.038 -13.739 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -3.199 -12.397 -14.845 1.00 0.00 H new ATOM 958 N ASN A 284 -6.114 -8.704 -17.343 1.00 0.00 N ATOM 959 CA ASN A 284 -7.155 -8.389 -18.315 1.00 0.00 C ATOM 960 C ASN A 284 -6.560 -8.198 -19.707 1.00 0.00 C ATOM 961 O ASN A 284 -7.272 -7.881 -20.659 1.00 0.00 O ATOM 962 CB ASN A 284 -7.910 -7.127 -17.894 1.00 0.00 C ATOM 963 CG ASN A 284 -7.073 -5.872 -18.052 1.00 0.00 C ATOM 964 OD1 ASN A 284 -6.334 -5.724 -19.026 1.00 0.00 O ATOM 965 ND2 ASN A 284 -7.185 -4.961 -17.093 1.00 0.00 N ATOM 0 H ASN A 284 -5.690 -7.889 -16.900 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.851 -9.227 -18.348 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -8.817 -7.033 -18.492 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -8.222 -7.224 -16.854 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -6.646 -4.096 -17.145 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -7.810 -5.126 -16.304 1.00 0.00 H new