USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 439 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 429 MET CE :methyl 166:sc= 0 (180deg=-0.124) USER MOD Set 1.2: A 430 ASN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 421 LYS NZ :NH3+ -104:sc= -0.379 (180deg=-1.16!) USER MOD Single : A 423 TYR OH : rot -59:sc= 0.0012 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -3.24 X(o=-3.2,f=-3.7!) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0.0945 USER MOD Single : A 435 GLN : amide:sc= -0.946 K(o=-0.95,f=0) USER MOD Single : A 437 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.238) USER MOD Single : A 439 THR OG1 : rot 140:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.07) USER MOD Single : A 447 HIS : no HE2:sc= -15.4! C(o=-15!,f=-14!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -8.56! C(o=-8.6!,f=-14!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -165:sc= -0.363! (180deg=-1.32) USER MOD Single : A 462 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 466 CYS SG : rot 92:sc= -2.43 USER MOD Single : A 469 TYR OH : rot -108:sc= -2.17! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 130:sc= -0.551 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -1.066 -4.977 9.055 1.00 10.00 N ATOM 112 CA LYS A 421 -1.636 -4.998 7.712 1.00 10.00 C ATOM 113 C LYS A 421 -0.520 -5.103 6.691 1.00 10.00 C ATOM 114 O LYS A 421 0.060 -4.102 6.270 1.00 10.00 O ATOM 115 CB LYS A 421 -2.484 -3.760 7.463 1.00 10.00 C ATOM 116 CG LYS A 421 -3.011 -3.660 6.043 1.00 10.00 C ATOM 117 CD LYS A 421 -4.408 -4.244 5.917 1.00 10.00 C ATOM 118 CE LYS A 421 -5.402 -3.519 6.810 1.00 10.00 C ATOM 119 NZ LYS A 421 -5.738 -4.310 8.027 1.00 10.00 N ATOM 0 HA LYS A 421 -2.287 -5.867 7.617 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -3.326 -3.762 8.155 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.891 -2.873 7.685 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -3.025 -2.615 5.733 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -2.336 -4.184 5.367 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.737 -4.181 4.880 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -4.386 -5.301 6.180 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.987 -2.556 7.107 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -6.313 -3.314 6.247 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -6.681 -4.734 7.916 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -5.033 -5.064 8.157 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -5.734 -3.686 8.859 1.00 10.00 H new ATOM 133 N VAL A 422 -0.203 -6.334 6.340 1.00 10.00 N ATOM 134 CA VAL A 422 0.870 -6.619 5.416 1.00 10.00 C ATOM 135 C VAL A 422 0.959 -8.119 5.178 1.00 10.00 C ATOM 136 O VAL A 422 1.111 -8.584 4.048 1.00 10.00 O ATOM 137 CB VAL A 422 2.189 -6.085 5.998 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.795 -7.060 7.000 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.171 -5.750 4.891 1.00 10.00 C ATOM 0 H VAL A 422 -0.684 -7.163 6.689 1.00 10.00 H new ATOM 0 HA VAL A 422 0.678 -6.130 4.461 1.00 10.00 H new ATOM 0 HB VAL A 422 1.965 -5.165 6.539 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.726 -6.649 7.390 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.096 -7.219 7.821 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.997 -8.011 6.506 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.097 -5.374 5.327 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.382 -6.647 4.308 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.741 -4.988 4.241 1.00 10.00 H new ATOM 149 N TYR A 423 0.834 -8.863 6.270 1.00 10.00 N ATOM 150 CA TYR A 423 0.862 -10.323 6.245 1.00 10.00 C ATOM 151 C TYR A 423 0.038 -10.874 5.078 1.00 10.00 C ATOM 152 O TYR A 423 0.300 -11.974 4.591 1.00 10.00 O ATOM 153 CB TYR A 423 0.350 -10.902 7.582 1.00 10.00 C ATOM 154 CG TYR A 423 -0.498 -9.957 8.421 1.00 10.00 C ATOM 155 CD1 TYR A 423 -1.301 -8.985 7.838 1.00 10.00 C ATOM 156 CD2 TYR A 423 -0.470 -10.030 9.808 1.00 10.00 C ATOM 157 CE1 TYR A 423 -2.046 -8.123 8.602 1.00 10.00 C ATOM 158 CE2 TYR A 423 -1.222 -9.167 10.583 1.00 10.00 C ATOM 159 CZ TYR A 423 -2.008 -8.215 9.975 1.00 10.00 C ATOM 160 OH TYR A 423 -2.759 -7.355 10.741 1.00 10.00 O ATOM 0 H TYR A 423 0.710 -8.470 7.203 1.00 10.00 H new ATOM 0 HA TYR A 423 1.898 -10.632 6.104 1.00 10.00 H new ATOM 0 HB2 TYR A 423 -0.235 -11.797 7.370 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.209 -11.216 8.175 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -1.340 -8.906 6.762 1.00 10.00 H new ATOM 0 HD2 TYR A 423 0.149 -10.773 10.289 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -2.661 -7.373 8.127 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -1.193 -9.240 11.660 1.00 10.00 H new ATOM 0 HH TYR A 423 -2.493 -6.431 10.551 1.00 10.00 H new ATOM 170 N LYS A 424 -0.947 -10.101 4.623 1.00 10.00 N ATOM 171 CA LYS A 424 -1.789 -10.512 3.506 1.00 10.00 C ATOM 172 C LYS A 424 -1.479 -9.676 2.264 1.00 10.00 C ATOM 173 O LYS A 424 -1.733 -10.100 1.137 1.00 10.00 O ATOM 174 CB LYS A 424 -3.267 -10.373 3.873 1.00 10.00 C ATOM 175 CG LYS A 424 -3.815 -11.559 4.650 1.00 10.00 C ATOM 176 CD LYS A 424 -5.331 -11.630 4.562 1.00 10.00 C ATOM 177 CE LYS A 424 -5.903 -12.601 5.582 1.00 10.00 C ATOM 178 NZ LYS A 424 -5.923 -13.998 5.070 1.00 10.00 N ATOM 0 H LYS A 424 -1.180 -9.187 5.012 1.00 10.00 H new ATOM 0 HA LYS A 424 -1.577 -11.558 3.286 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.402 -9.468 4.465 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -3.849 -10.247 2.960 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.383 -12.481 4.261 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.513 -11.482 5.695 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.753 -10.638 4.726 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -5.624 -11.940 3.559 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -5.310 -12.558 6.496 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -6.916 -12.296 5.844 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -6.320 -14.628 5.796 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -6.509 -14.045 4.212 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -4.954 -14.299 4.843 1.00 10.00 H new ATOM 192 N ASP A 425 -0.927 -8.485 2.484 1.00 10.00 N ATOM 193 CA ASP A 425 -0.579 -7.581 1.394 1.00 10.00 C ATOM 194 C ASP A 425 0.554 -8.148 0.539 1.00 10.00 C ATOM 195 O ASP A 425 0.744 -7.731 -0.602 1.00 10.00 O ATOM 196 CB ASP A 425 -0.171 -6.218 1.959 1.00 10.00 C ATOM 197 CG ASP A 425 0.156 -5.210 0.875 1.00 10.00 C ATOM 198 OD1 ASP A 425 -0.712 -4.963 0.012 1.00 10.00 O ATOM 199 OD2 ASP A 425 1.278 -4.666 0.892 1.00 10.00 O ATOM 0 H ASP A 425 -0.711 -8.123 3.413 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.457 -7.466 0.758 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -0.979 -5.830 2.579 1.00 10.00 H new ATOM 0 HB3 ASP A 425 0.696 -6.343 2.607 1.00 10.00 H new ATOM 204 N ARG A 426 1.310 -9.093 1.093 1.00 10.00 N ATOM 205 CA ARG A 426 2.426 -9.702 0.371 1.00 10.00 C ATOM 206 C ARG A 426 2.009 -10.134 -1.033 1.00 10.00 C ATOM 207 O ARG A 426 2.829 -10.160 -1.953 1.00 10.00 O ATOM 208 CB ARG A 426 2.975 -10.898 1.149 1.00 10.00 C ATOM 209 CG ARG A 426 4.142 -11.590 0.464 1.00 10.00 C ATOM 210 CD ARG A 426 4.878 -12.518 1.417 1.00 10.00 C ATOM 211 NE ARG A 426 5.872 -13.336 0.727 1.00 10.00 N ATOM 212 CZ ARG A 426 7.063 -12.885 0.339 1.00 10.00 C ATOM 213 NH1 ARG A 426 7.411 -11.626 0.570 1.00 10.00 N ATOM 214 NH2 ARG A 426 7.908 -13.696 -0.283 1.00 10.00 N ATOM 0 H ARG A 426 1.171 -9.453 2.037 1.00 10.00 H new ATOM 0 HA ARG A 426 3.210 -8.951 0.275 1.00 10.00 H new ATOM 0 HB2 ARG A 426 3.292 -10.563 2.137 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.173 -11.621 1.300 1.00 10.00 H new ATOM 0 HG2 ARG A 426 3.777 -12.160 -0.391 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.834 -10.842 0.077 1.00 10.00 H new ATOM 0 HD2 ARG A 426 5.369 -11.928 2.191 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.160 -13.167 1.918 1.00 10.00 H new ATOM 0 HE ARG A 426 5.640 -14.310 0.531 1.00 10.00 H new ATOM 0 HH11 ARG A 426 6.765 -10.998 1.047 1.00 10.00 H new ATOM 0 HH12 ARG A 426 8.325 -11.286 0.270 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.645 -14.665 -0.464 1.00 10.00 H new ATOM 0 HH22 ARG A 426 8.821 -13.351 -0.580 1.00 10.00 H new ATOM 228 N GLN A 427 0.731 -10.457 -1.198 1.00 10.00 N ATOM 229 CA GLN A 427 0.211 -10.869 -2.497 1.00 10.00 C ATOM 230 C GLN A 427 -0.457 -9.691 -3.194 1.00 10.00 C ATOM 231 O GLN A 427 -1.428 -9.852 -3.933 1.00 10.00 O ATOM 232 CB GLN A 427 -0.782 -12.024 -2.337 1.00 10.00 C ATOM 233 CG GLN A 427 -0.322 -13.091 -1.355 1.00 10.00 C ATOM 234 CD GLN A 427 -0.714 -12.776 0.076 1.00 10.00 C ATOM 235 OE1 GLN A 427 -1.863 -12.437 0.357 1.00 10.00 O ATOM 236 NE2 GLN A 427 0.244 -12.889 0.991 1.00 10.00 N ATOM 0 H GLN A 427 0.037 -10.442 -0.450 1.00 10.00 H new ATOM 0 HA GLN A 427 1.044 -11.213 -3.110 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.740 -11.625 -2.004 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.949 -12.486 -3.310 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -0.750 -14.052 -1.642 1.00 10.00 H new ATOM 0 HG3 GLN A 427 0.761 -13.193 -1.417 1.00 10.00 H new ATOM 0 HE21 GLN A 427 1.183 -13.173 0.713 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.039 -12.691 1.971 1.00 10.00 H new ATOM 245 N VAL A 428 0.083 -8.506 -2.945 1.00 10.00 N ATOM 246 CA VAL A 428 -0.432 -7.279 -3.533 1.00 10.00 C ATOM 247 C VAL A 428 0.620 -6.625 -4.414 1.00 10.00 C ATOM 248 O VAL A 428 0.293 -6.002 -5.424 1.00 10.00 O ATOM 249 CB VAL A 428 -0.881 -6.290 -2.445 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.344 -4.975 -3.055 1.00 10.00 C ATOM 251 CG2 VAL A 428 -1.980 -6.912 -1.601 1.00 10.00 C ATOM 0 H VAL A 428 0.887 -8.369 -2.332 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.296 -7.543 -4.143 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.027 -6.071 -1.804 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.655 -4.296 -2.262 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.525 -4.526 -3.616 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.184 -5.160 -3.725 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.293 -6.205 -0.832 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -2.831 -7.158 -2.236 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.606 -7.820 -1.128 1.00 10.00 H new ATOM 261 N MET A 429 1.887 -6.784 -4.042 1.00 10.00 N ATOM 262 CA MET A 429 2.983 -6.219 -4.824 1.00 10.00 C ATOM 263 C MET A 429 2.791 -6.528 -6.309 1.00 10.00 C ATOM 264 O MET A 429 3.271 -5.796 -7.175 1.00 10.00 O ATOM 265 CB MET A 429 4.324 -6.779 -4.343 1.00 10.00 C ATOM 266 CG MET A 429 5.460 -5.772 -4.408 1.00 10.00 C ATOM 267 SD MET A 429 7.082 -6.558 -4.478 1.00 10.00 S ATOM 268 CE MET A 429 7.116 -7.110 -6.182 1.00 10.00 C ATOM 0 H MET A 429 2.179 -7.296 -3.210 1.00 10.00 H new ATOM 0 HA MET A 429 2.983 -5.138 -4.686 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.216 -7.127 -3.316 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.584 -7.648 -4.948 1.00 10.00 H new ATOM 0 HG2 MET A 429 5.329 -5.139 -5.286 1.00 10.00 H new ATOM 0 HG3 MET A 429 5.413 -5.121 -3.535 1.00 10.00 H new ATOM 0 HE1 MET A 429 8.134 -7.389 -6.454 1.00 10.00 H new ATOM 0 HE2 MET A 429 6.460 -7.973 -6.298 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.775 -6.304 -6.832 1.00 10.00 H new ATOM 278 N ASN A 430 2.079 -7.619 -6.589 1.00 10.00 N ATOM 279 CA ASN A 430 1.811 -8.033 -7.958 1.00 10.00 C ATOM 280 C ASN A 430 0.311 -8.214 -8.194 1.00 10.00 C ATOM 281 O ASN A 430 -0.097 -8.932 -9.107 1.00 10.00 O ATOM 282 CB ASN A 430 2.543 -9.342 -8.258 1.00 10.00 C ATOM 283 CG ASN A 430 3.982 -9.117 -8.681 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.661 -8.231 -8.163 1.00 10.00 O ATOM 285 ND2 ASN A 430 4.452 -9.920 -9.627 1.00 10.00 N ATOM 0 H ASN A 430 1.677 -8.232 -5.879 1.00 10.00 H new ATOM 0 HA ASN A 430 2.171 -7.252 -8.627 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.523 -9.977 -7.373 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.015 -9.878 -9.047 1.00 10.00 H new ATOM 0 HD21 ASN A 430 5.413 -9.816 -9.953 1.00 10.00 H new ATOM 0 HD22 ASN A 430 3.852 -10.641 -10.028 1.00 10.00 H new ATOM 292 N MET A 431 -0.506 -7.558 -7.370 1.00 10.00 N ATOM 293 CA MET A 431 -1.959 -7.648 -7.496 1.00 10.00 C ATOM 294 C MET A 431 -2.660 -6.972 -6.322 1.00 10.00 C ATOM 295 O MET A 431 -3.007 -7.625 -5.338 1.00 10.00 O ATOM 296 CB MET A 431 -2.409 -9.107 -7.575 1.00 10.00 C ATOM 297 CG MET A 431 -2.757 -9.564 -8.982 1.00 10.00 C ATOM 298 SD MET A 431 -4.276 -10.533 -9.046 1.00 10.00 S ATOM 299 CE MET A 431 -3.773 -11.884 -10.108 1.00 10.00 C ATOM 0 H MET A 431 -0.186 -6.959 -6.609 1.00 10.00 H new ATOM 0 HA MET A 431 -2.234 -7.133 -8.417 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.617 -9.744 -7.181 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.278 -9.245 -6.932 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.860 -8.692 -9.627 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.935 -10.159 -9.380 1.00 10.00 H new ATOM 0 HE1 MET A 431 -4.608 -12.571 -10.243 1.00 10.00 H new ATOM 0 HE2 MET A 431 -3.467 -11.490 -11.077 1.00 10.00 H new ATOM 0 HE3 MET A 431 -2.937 -12.414 -9.651 1.00 10.00 H new ATOM 309 N TRP A 432 -2.898 -5.675 -6.446 1.00 10.00 N ATOM 310 CA TRP A 432 -3.591 -4.930 -5.403 1.00 10.00 C ATOM 311 C TRP A 432 -5.088 -4.996 -5.656 1.00 10.00 C ATOM 312 O TRP A 432 -5.628 -4.257 -6.479 1.00 10.00 O ATOM 313 CB TRP A 432 -3.127 -3.470 -5.348 1.00 10.00 C ATOM 314 CG TRP A 432 -1.684 -3.238 -5.706 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.076 -3.534 -6.886 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.672 -2.637 -4.882 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.232 -3.133 -6.857 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.508 -2.591 -5.641 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.647 -2.131 -3.585 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.692 -2.054 -5.151 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.531 -1.604 -3.092 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.686 -1.565 -3.875 1.00 10.00 C ATOM 0 H TRP A 432 -2.623 -5.117 -7.255 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.356 -5.383 -4.440 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.750 -2.883 -6.022 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.300 -3.089 -4.341 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.556 -4.016 -7.725 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.895 -3.226 -7.626 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.536 -2.150 -2.973 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.585 -2.024 -5.757 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.559 -1.216 -2.085 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.591 -1.141 -3.465 1.00 10.00 H new ATOM 333 N SER A 433 -5.743 -5.906 -4.955 1.00 10.00 N ATOM 334 CA SER A 433 -7.180 -6.109 -5.103 1.00 10.00 C ATOM 335 C SER A 433 -7.959 -4.856 -4.730 1.00 10.00 C ATOM 336 O SER A 433 -7.522 -4.067 -3.894 1.00 10.00 O ATOM 337 CB SER A 433 -7.640 -7.284 -4.239 1.00 10.00 C ATOM 338 OG SER A 433 -6.568 -8.172 -3.971 1.00 10.00 O ATOM 0 H SER A 433 -5.301 -6.522 -4.272 1.00 10.00 H new ATOM 0 HA SER A 433 -7.378 -6.332 -6.151 1.00 10.00 H new ATOM 0 HB2 SER A 433 -8.050 -6.911 -3.301 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.442 -7.820 -4.746 1.00 10.00 H new ATOM 0 HG SER A 433 -6.888 -8.913 -3.416 1.00 10.00 H new ATOM 344 N GLU A 434 -9.128 -4.686 -5.346 1.00 10.00 N ATOM 345 CA GLU A 434 -9.977 -3.533 -5.067 1.00 10.00 C ATOM 346 C GLU A 434 -10.160 -3.364 -3.564 1.00 10.00 C ATOM 347 O GLU A 434 -10.302 -2.250 -3.062 1.00 10.00 O ATOM 348 CB GLU A 434 -11.338 -3.695 -5.746 1.00 10.00 C ATOM 349 CG GLU A 434 -12.115 -4.910 -5.268 1.00 10.00 C ATOM 350 CD GLU A 434 -12.823 -5.631 -6.399 1.00 10.00 C ATOM 351 OE1 GLU A 434 -12.247 -5.712 -7.504 1.00 10.00 O ATOM 352 OE2 GLU A 434 -13.953 -6.115 -6.179 1.00 10.00 O ATOM 0 H GLU A 434 -9.506 -5.331 -6.039 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.492 -2.642 -5.466 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.933 -2.800 -5.566 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.191 -3.769 -6.823 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -11.433 -5.601 -4.772 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -12.849 -4.598 -4.525 1.00 10.00 H new ATOM 359 N GLN A 435 -10.137 -4.487 -2.851 1.00 10.00 N ATOM 360 CA GLN A 435 -10.283 -4.478 -1.404 1.00 10.00 C ATOM 361 C GLN A 435 -8.936 -4.223 -0.740 1.00 10.00 C ATOM 362 O GLN A 435 -8.865 -3.629 0.336 1.00 10.00 O ATOM 363 CB GLN A 435 -10.864 -5.805 -0.918 1.00 10.00 C ATOM 364 CG GLN A 435 -11.673 -5.684 0.363 1.00 10.00 C ATOM 365 CD GLN A 435 -13.156 -5.491 0.102 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.998 -6.050 0.806 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.482 -4.699 -0.913 1.00 10.00 N ATOM 0 H GLN A 435 -10.018 -5.416 -3.256 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.969 -3.676 -1.131 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.498 -6.222 -1.700 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.049 -6.511 -0.758 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.528 -6.580 0.966 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.298 -4.843 0.947 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.751 -4.256 -1.470 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.463 -4.533 -1.136 1.00 10.00 H new ATOM 376 N GLU A 436 -7.867 -4.667 -1.394 1.00 10.00 N ATOM 377 CA GLU A 436 -6.528 -4.477 -0.879 1.00 10.00 C ATOM 378 C GLU A 436 -6.125 -3.022 -1.038 1.00 10.00 C ATOM 379 O GLU A 436 -5.705 -2.378 -0.077 1.00 10.00 O ATOM 380 CB GLU A 436 -5.573 -5.427 -1.604 1.00 10.00 C ATOM 381 CG GLU A 436 -4.895 -6.432 -0.683 1.00 10.00 C ATOM 382 CD GLU A 436 -5.866 -7.106 0.268 1.00 10.00 C ATOM 383 OE1 GLU A 436 -6.881 -7.655 -0.210 1.00 10.00 O ATOM 384 OE2 GLU A 436 -5.611 -7.085 1.490 1.00 10.00 O ATOM 0 H GLU A 436 -7.909 -5.162 -2.285 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.488 -4.712 0.185 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -6.126 -5.967 -2.373 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.808 -4.841 -2.114 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -4.397 -7.192 -1.285 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -4.121 -5.925 -0.106 1.00 10.00 H new ATOM 391 N LYS A 437 -6.310 -2.486 -2.239 1.00 10.00 N ATOM 392 CA LYS A 437 -6.021 -1.079 -2.495 1.00 10.00 C ATOM 393 C LYS A 437 -6.797 -0.224 -1.505 1.00 10.00 C ATOM 394 O LYS A 437 -6.469 0.929 -1.268 1.00 10.00 O ATOM 395 CB LYS A 437 -6.414 -0.705 -3.924 1.00 10.00 C ATOM 396 CG LYS A 437 -5.838 -1.640 -4.976 1.00 10.00 C ATOM 397 CD LYS A 437 -5.136 -0.868 -6.081 1.00 10.00 C ATOM 398 CE LYS A 437 -5.569 -1.344 -7.460 1.00 10.00 C ATOM 399 NZ LYS A 437 -4.404 -1.587 -8.356 1.00 10.00 N ATOM 0 H LYS A 437 -6.657 -3.001 -3.048 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.952 -0.905 -2.375 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -7.501 -0.705 -4.005 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -6.079 0.312 -4.130 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -5.134 -2.328 -4.507 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -6.637 -2.245 -5.404 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -5.354 0.195 -5.978 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -4.057 -0.984 -5.978 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -6.149 -2.262 -7.362 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -6.225 -0.600 -7.911 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -4.717 -1.559 -9.347 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -3.686 -0.852 -8.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -3.995 -2.520 -8.148 1.00 10.00 H new ATOM 413 N GLU A 438 -7.826 -0.818 -0.918 1.00 10.00 N ATOM 414 CA GLU A 438 -8.647 -0.124 0.055 1.00 10.00 C ATOM 415 C GLU A 438 -7.817 0.306 1.254 1.00 10.00 C ATOM 416 O GLU A 438 -8.166 1.257 1.948 1.00 10.00 O ATOM 417 CB GLU A 438 -9.791 -1.022 0.516 1.00 10.00 C ATOM 418 CG GLU A 438 -10.993 -0.257 1.045 1.00 10.00 C ATOM 419 CD GLU A 438 -10.999 -0.151 2.557 1.00 10.00 C ATOM 420 OE1 GLU A 438 -9.902 -0.115 3.153 1.00 10.00 O ATOM 421 OE2 GLU A 438 -12.101 -0.105 3.145 1.00 10.00 O ATOM 0 H GLU A 438 -8.110 -1.780 -1.101 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.058 0.766 -0.421 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.108 -1.648 -0.318 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.425 -1.690 1.295 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.999 0.744 0.615 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.907 -0.751 0.716 1.00 10.00 H new ATOM 428 N THR A 439 -6.723 -0.402 1.505 1.00 10.00 N ATOM 429 CA THR A 439 -5.866 -0.074 2.638 1.00 10.00 C ATOM 430 C THR A 439 -4.741 0.881 2.240 1.00 10.00 C ATOM 431 O THR A 439 -4.519 1.895 2.900 1.00 10.00 O ATOM 432 CB THR A 439 -5.295 -1.355 3.250 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.333 -2.158 3.785 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.295 -1.105 4.358 1.00 10.00 C ATOM 0 H THR A 439 -6.411 -1.197 0.948 1.00 10.00 H new ATOM 0 HA THR A 439 -6.475 0.437 3.383 1.00 10.00 H new ATOM 0 HB THR A 439 -4.782 -1.858 2.431 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.153 -3.101 3.586 1.00 10.00 H new ATOM 0 HG21 THR A 439 -3.933 -2.058 4.744 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.456 -0.530 3.968 1.00 10.00 H new ATOM 0 HG23 THR A 439 -4.775 -0.547 5.162 1.00 10.00 H new ATOM 442 N PHE A 440 -4.030 0.555 1.168 1.00 10.00 N ATOM 443 CA PHE A 440 -2.932 1.388 0.701 1.00 10.00 C ATOM 444 C PHE A 440 -3.458 2.621 -0.023 1.00 10.00 C ATOM 445 O PHE A 440 -2.819 3.673 -0.016 1.00 10.00 O ATOM 446 CB PHE A 440 -2.011 0.591 -0.229 1.00 10.00 C ATOM 447 CG PHE A 440 -2.446 -0.815 -0.452 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.319 -1.777 0.534 1.00 10.00 C ATOM 449 CD2 PHE A 440 -3.000 -1.165 -1.656 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.740 -3.066 0.302 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.422 -2.445 -1.891 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.290 -3.390 -0.918 1.00 10.00 C ATOM 0 H PHE A 440 -4.195 -0.280 0.606 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.362 1.712 1.572 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -1.955 1.100 -1.191 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.004 0.587 0.189 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.888 -1.515 1.489 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.105 -0.419 -2.430 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.640 -3.818 1.071 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.858 -2.706 -2.844 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.619 -4.401 -1.105 1.00 10.00 H new ATOM 462 N ARG A 441 -4.629 2.492 -0.645 1.00 10.00 N ATOM 463 CA ARG A 441 -5.224 3.609 -1.362 1.00 10.00 C ATOM 464 C ARG A 441 -5.999 4.512 -0.405 1.00 10.00 C ATOM 465 O ARG A 441 -6.221 5.688 -0.696 1.00 10.00 O ATOM 466 CB ARG A 441 -6.148 3.120 -2.480 1.00 10.00 C ATOM 467 CG ARG A 441 -6.340 4.134 -3.596 1.00 10.00 C ATOM 468 CD ARG A 441 -7.625 4.927 -3.415 1.00 10.00 C ATOM 469 NE ARG A 441 -8.808 4.070 -3.462 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.310 3.563 -4.586 1.00 10.00 C ATOM 471 NH1 ARG A 441 -8.737 3.823 -5.754 1.00 10.00 N ATOM 472 NH2 ARG A 441 -10.389 2.793 -4.541 1.00 10.00 N ATOM 0 H ARG A 441 -5.177 1.632 -0.665 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.413 4.182 -1.812 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.740 2.201 -2.901 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.120 2.872 -2.054 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.490 4.817 -3.619 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.361 3.619 -4.557 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -7.595 5.452 -2.460 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -7.696 5.686 -4.194 1.00 10.00 H new ATOM 0 HE ARG A 441 -9.276 3.848 -2.583 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -7.907 4.414 -5.794 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -9.127 3.431 -6.612 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -10.834 2.590 -3.646 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -10.774 2.404 -5.402 1.00 10.00 H new ATOM 486 N GLU A 442 -6.406 3.962 0.742 1.00 10.00 N ATOM 487 CA GLU A 442 -7.150 4.738 1.726 1.00 10.00 C ATOM 488 C GLU A 442 -6.202 5.468 2.666 1.00 10.00 C ATOM 489 O GLU A 442 -6.498 6.574 3.117 1.00 10.00 O ATOM 490 CB GLU A 442 -8.090 3.840 2.530 1.00 10.00 C ATOM 491 CG GLU A 442 -8.906 4.590 3.572 1.00 10.00 C ATOM 492 CD GLU A 442 -10.080 3.781 4.086 1.00 10.00 C ATOM 493 OE1 GLU A 442 -10.923 3.368 3.263 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.156 3.560 5.313 1.00 10.00 O ATOM 0 H GLU A 442 -6.233 2.992 1.007 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.746 5.474 1.187 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.769 3.333 1.845 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.504 3.067 3.027 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.261 4.859 4.408 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.273 5.521 3.140 1.00 10.00 H new ATOM 501 N LYS A 443 -5.057 4.855 2.952 1.00 10.00 N ATOM 502 CA LYS A 443 -4.079 5.470 3.828 1.00 10.00 C ATOM 503 C LYS A 443 -3.351 6.577 3.085 1.00 10.00 C ATOM 504 O LYS A 443 -3.154 7.666 3.614 1.00 10.00 O ATOM 505 CB LYS A 443 -3.082 4.431 4.341 1.00 10.00 C ATOM 506 CG LYS A 443 -3.488 3.793 5.662 1.00 10.00 C ATOM 507 CD LYS A 443 -4.902 3.233 5.605 1.00 10.00 C ATOM 508 CE LYS A 443 -4.975 1.842 6.214 1.00 10.00 C ATOM 509 NZ LYS A 443 -5.320 1.887 7.662 1.00 10.00 N ATOM 0 H LYS A 443 -4.790 3.940 2.590 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.597 5.895 4.687 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.967 3.649 3.590 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.107 4.904 4.461 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.790 2.994 5.910 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.421 4.533 6.459 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -5.580 3.900 6.137 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -5.238 3.196 4.569 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -5.720 1.251 5.681 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -4.017 1.338 6.085 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -5.360 0.919 8.040 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -4.596 2.429 8.175 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -6.246 2.345 7.784 1.00 10.00 H new ATOM 523 N PHE A 444 -2.979 6.305 1.838 1.00 10.00 N ATOM 524 CA PHE A 444 -2.301 7.294 1.024 1.00 10.00 C ATOM 525 C PHE A 444 -3.245 8.456 0.788 1.00 10.00 C ATOM 526 O PHE A 444 -2.825 9.608 0.688 1.00 10.00 O ATOM 527 CB PHE A 444 -1.824 6.673 -0.289 1.00 10.00 C ATOM 528 CG PHE A 444 -1.012 7.605 -1.140 1.00 10.00 C ATOM 529 CD1 PHE A 444 -1.592 8.721 -1.720 1.00 10.00 C ATOM 530 CD2 PHE A 444 0.335 7.363 -1.360 1.00 10.00 C ATOM 531 CE1 PHE A 444 -0.845 9.580 -2.502 1.00 10.00 C ATOM 532 CE2 PHE A 444 1.087 8.218 -2.141 1.00 10.00 C ATOM 533 CZ PHE A 444 0.498 9.329 -2.713 1.00 10.00 C ATOM 0 H PHE A 444 -3.137 5.410 1.375 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.414 7.661 1.540 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.229 5.788 -0.066 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.691 6.339 -0.858 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -2.641 8.922 -1.559 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.801 6.496 -0.916 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -1.310 10.447 -2.948 1.00 10.00 H new ATOM 0 HE2 PHE A 444 2.136 8.018 -2.305 1.00 10.00 H new ATOM 0 HZ PHE A 444 1.085 9.999 -3.323 1.00 10.00 H new ATOM 543 N MET A 445 -4.536 8.145 0.771 1.00 10.00 N ATOM 544 CA MET A 445 -5.550 9.165 0.628 1.00 10.00 C ATOM 545 C MET A 445 -5.695 9.871 1.972 1.00 10.00 C ATOM 546 O MET A 445 -5.978 11.067 2.046 1.00 10.00 O ATOM 547 CB MET A 445 -6.885 8.555 0.193 1.00 10.00 C ATOM 548 CG MET A 445 -7.059 8.484 -1.315 1.00 10.00 C ATOM 549 SD MET A 445 -7.790 9.982 -2.002 1.00 10.00 S ATOM 550 CE MET A 445 -7.608 9.675 -3.757 1.00 10.00 C ATOM 0 H MET A 445 -4.898 7.195 0.855 1.00 10.00 H new ATOM 0 HA MET A 445 -5.256 9.876 -0.144 1.00 10.00 H new ATOM 0 HB2 MET A 445 -6.968 7.550 0.608 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.699 9.143 0.617 1.00 10.00 H new ATOM 0 HG2 MET A 445 -6.089 8.311 -1.781 1.00 10.00 H new ATOM 0 HG3 MET A 445 -7.689 7.630 -1.564 1.00 10.00 H new ATOM 0 HE1 MET A 445 -8.016 10.516 -4.318 1.00 10.00 H new ATOM 0 HE2 MET A 445 -6.552 9.556 -3.998 1.00 10.00 H new ATOM 0 HE3 MET A 445 -8.146 8.766 -4.025 1.00 10.00 H new ATOM 560 N GLN A 446 -5.454 9.098 3.033 1.00 10.00 N ATOM 561 CA GLN A 446 -5.503 9.591 4.401 1.00 10.00 C ATOM 562 C GLN A 446 -4.319 10.508 4.656 1.00 10.00 C ATOM 563 O GLN A 446 -4.419 11.510 5.363 1.00 10.00 O ATOM 564 CB GLN A 446 -5.429 8.409 5.373 1.00 10.00 C ATOM 565 CG GLN A 446 -5.867 8.752 6.787 1.00 10.00 C ATOM 566 CD GLN A 446 -6.561 7.592 7.477 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.201 7.212 8.591 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.563 7.024 6.815 1.00 10.00 N ATOM 0 H GLN A 446 -5.219 8.108 2.961 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.434 10.138 4.550 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.054 7.600 4.995 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.405 8.036 5.400 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -4.997 9.050 7.371 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.540 9.609 6.758 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.828 7.372 5.893 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.068 6.240 7.228 1.00 10.00 H new ATOM 577 N HIS A 447 -3.192 10.125 4.077 1.00 10.00 N ATOM 578 CA HIS A 447 -1.949 10.857 4.220 1.00 10.00 C ATOM 579 C HIS A 447 -1.586 11.553 2.906 1.00 10.00 C ATOM 580 O HIS A 447 -0.998 10.943 2.013 1.00 10.00 O ATOM 581 CB HIS A 447 -0.854 9.877 4.650 1.00 10.00 C ATOM 582 CG HIS A 447 -1.293 8.983 5.775 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.465 9.440 7.062 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.635 7.663 5.800 1.00 10.00 C ATOM 585 CE1 HIS A 447 -1.891 8.453 7.828 1.00 10.00 C ATOM 586 NE2 HIS A 447 -2.004 7.366 7.088 1.00 10.00 N ATOM 0 H HIS A 447 -3.116 9.293 3.492 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.055 11.632 4.979 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.562 9.265 3.796 1.00 10.00 H new ATOM 0 HB3 HIS A 447 0.029 10.436 4.958 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.290 10.395 7.376 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.619 6.980 4.964 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.110 8.523 8.883 1.00 10.00 H new ATOM 595 N PRO A 448 -1.954 12.843 2.764 1.00 10.00 N ATOM 596 CA PRO A 448 -1.690 13.625 1.553 1.00 10.00 C ATOM 597 C PRO A 448 -0.288 13.411 0.992 1.00 10.00 C ATOM 598 O PRO A 448 0.681 13.999 1.471 1.00 10.00 O ATOM 599 CB PRO A 448 -1.873 15.085 2.005 1.00 10.00 C ATOM 600 CG PRO A 448 -2.179 15.034 3.470 1.00 10.00 C ATOM 601 CD PRO A 448 -2.672 13.646 3.759 1.00 10.00 C ATOM 0 HA PRO A 448 -2.357 13.329 0.744 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -0.971 15.667 1.816 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.683 15.564 1.455 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -1.290 15.260 4.059 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -2.933 15.775 3.734 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.438 13.336 4.777 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.753 13.566 3.642 1.00 10.00 H new ATOM 609 N LYS A 449 -0.198 12.573 -0.041 1.00 10.00 N ATOM 610 CA LYS A 449 1.075 12.277 -0.698 1.00 10.00 C ATOM 611 C LYS A 449 2.201 12.070 0.312 1.00 10.00 C ATOM 612 O LYS A 449 2.829 13.028 0.761 1.00 10.00 O ATOM 613 CB LYS A 449 1.445 13.406 -1.661 1.00 10.00 C ATOM 614 CG LYS A 449 0.836 13.251 -3.044 1.00 10.00 C ATOM 615 CD LYS A 449 1.148 14.446 -3.928 1.00 10.00 C ATOM 616 CE LYS A 449 2.597 14.436 -4.388 1.00 10.00 C ATOM 617 NZ LYS A 449 3.109 15.811 -4.643 1.00 10.00 N ATOM 0 H LYS A 449 -0.998 12.084 -0.443 1.00 10.00 H new ATOM 0 HA LYS A 449 0.949 11.348 -1.253 1.00 10.00 H new ATOM 0 HB2 LYS A 449 1.121 14.356 -1.235 1.00 10.00 H new ATOM 0 HB3 LYS A 449 2.530 13.452 -1.754 1.00 10.00 H new ATOM 0 HG2 LYS A 449 1.217 12.343 -3.511 1.00 10.00 H new ATOM 0 HG3 LYS A 449 -0.244 13.135 -2.956 1.00 10.00 H new ATOM 0 HD2 LYS A 449 0.489 14.439 -4.797 1.00 10.00 H new ATOM 0 HD3 LYS A 449 0.945 15.367 -3.381 1.00 10.00 H new ATOM 0 HE2 LYS A 449 3.215 13.953 -3.631 1.00 10.00 H new ATOM 0 HE3 LYS A 449 2.685 13.842 -5.297 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 4.100 15.760 -4.955 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 2.536 16.263 -5.384 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 3.049 16.371 -3.769 1.00 10.00 H new ATOM 631 N ASN A 450 2.459 10.813 0.656 1.00 10.00 N ATOM 632 CA ASN A 450 3.515 10.490 1.604 1.00 10.00 C ATOM 633 C ASN A 450 4.213 9.191 1.224 1.00 10.00 C ATOM 634 O ASN A 450 5.433 9.150 1.067 1.00 10.00 O ATOM 635 CB ASN A 450 2.953 10.382 3.028 1.00 10.00 C ATOM 636 CG ASN A 450 1.767 9.440 3.116 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.926 9.403 2.217 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.692 8.667 4.198 1.00 10.00 N ATOM 0 H ASN A 450 1.953 10.005 0.293 1.00 10.00 H new ATOM 0 HA ASN A 450 4.245 11.299 1.573 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.738 10.035 3.700 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.653 11.372 3.372 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.917 8.013 4.305 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.410 8.729 4.920 1.00 10.00 H new ATOM 645 N PHE A 451 3.431 8.126 1.095 1.00 10.00 N ATOM 646 CA PHE A 451 3.965 6.815 0.753 1.00 10.00 C ATOM 647 C PHE A 451 4.918 6.309 1.840 1.00 10.00 C ATOM 648 O PHE A 451 5.488 5.225 1.719 1.00 10.00 O ATOM 649 CB PHE A 451 4.684 6.857 -0.600 1.00 10.00 C ATOM 650 CG PHE A 451 3.876 6.319 -1.755 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.883 5.369 -1.557 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.114 6.768 -3.045 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.147 4.883 -2.618 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.381 6.281 -4.110 1.00 10.00 C ATOM 655 CZ PHE A 451 2.397 5.338 -3.896 1.00 10.00 C ATOM 0 H PHE A 451 2.419 8.146 1.223 1.00 10.00 H new ATOM 0 HA PHE A 451 3.126 6.123 0.681 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.963 7.888 -0.817 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.609 6.286 -0.523 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.684 5.006 -0.560 1.00 10.00 H new ATOM 0 HD2 PHE A 451 4.882 7.507 -3.219 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.375 4.147 -2.448 1.00 10.00 H new ATOM 0 HE2 PHE A 451 3.578 6.638 -5.110 1.00 10.00 H new ATOM 0 HZ PHE A 451 1.823 4.957 -4.728 1.00 10.00 H new ATOM 665 N GLY A 452 5.075 7.090 2.909 1.00 10.00 N ATOM 666 CA GLY A 452 5.940 6.693 3.998 1.00 10.00 C ATOM 667 C GLY A 452 5.182 5.901 5.037 1.00 10.00 C ATOM 668 O GLY A 452 5.681 4.903 5.554 1.00 10.00 O ATOM 0 H GLY A 452 4.615 7.992 3.035 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.765 6.095 3.611 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.378 7.578 4.460 1.00 10.00 H new ATOM 672 N LEU A 453 3.960 6.339 5.329 1.00 10.00 N ATOM 673 CA LEU A 453 3.122 5.651 6.298 1.00 10.00 C ATOM 674 C LEU A 453 2.613 4.349 5.706 1.00 10.00 C ATOM 675 O LEU A 453 2.705 3.292 6.329 1.00 10.00 O ATOM 676 CB LEU A 453 1.938 6.519 6.723 1.00 10.00 C ATOM 677 CG LEU A 453 0.936 5.809 7.631 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.349 6.774 8.645 1.00 10.00 C ATOM 679 CD2 LEU A 453 -0.161 5.147 6.804 1.00 10.00 C ATOM 0 H LEU A 453 3.532 7.164 4.909 1.00 10.00 H new ATOM 0 HA LEU A 453 3.727 5.443 7.180 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.316 7.402 7.238 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.419 6.868 5.830 1.00 10.00 H new ATOM 0 HG LEU A 453 1.463 5.029 8.180 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.362 6.246 9.281 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.149 7.187 9.260 1.00 10.00 H new ATOM 0 HD13 LEU A 453 -0.162 7.583 8.124 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.865 4.646 7.468 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.686 5.905 6.223 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.283 4.416 6.129 1.00 10.00 H new ATOM 691 N ILE A 454 2.090 4.429 4.489 1.00 10.00 N ATOM 692 CA ILE A 454 1.588 3.251 3.811 1.00 10.00 C ATOM 693 C ILE A 454 2.708 2.245 3.651 1.00 10.00 C ATOM 694 O ILE A 454 2.643 1.138 4.179 1.00 10.00 O ATOM 695 CB ILE A 454 0.981 3.621 2.447 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.381 4.243 2.678 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.878 2.410 1.527 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.327 5.751 2.684 1.00 10.00 C ATOM 0 H ILE A 454 2.005 5.295 3.957 1.00 10.00 H new ATOM 0 HA ILE A 454 0.795 2.805 4.412 1.00 10.00 H new ATOM 0 HB ILE A 454 1.636 4.336 1.948 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.067 3.909 1.900 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.782 3.892 3.629 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.445 2.713 0.574 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.872 1.996 1.358 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.244 1.654 1.990 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.327 6.150 2.853 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.338 6.088 3.480 1.00 10.00 H new ATOM 0 HD13 ILE A 454 0.048 6.105 1.724 1.00 10.00 H new ATOM 710 N ALA A 455 3.762 2.665 2.968 1.00 10.00 N ATOM 711 CA ALA A 455 4.933 1.824 2.777 1.00 10.00 C ATOM 712 C ALA A 455 5.518 1.400 4.125 1.00 10.00 C ATOM 713 O ALA A 455 6.410 0.554 4.184 1.00 10.00 O ATOM 714 CB ALA A 455 5.980 2.556 1.953 1.00 10.00 C ATOM 0 H ALA A 455 3.830 3.586 2.536 1.00 10.00 H new ATOM 0 HA ALA A 455 4.628 0.927 2.238 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.851 1.914 1.818 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.563 2.811 0.979 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.278 3.468 2.470 1.00 10.00 H new ATOM 720 N SER A 456 5.012 1.996 5.209 1.00 10.00 N ATOM 721 CA SER A 456 5.491 1.674 6.548 1.00 10.00 C ATOM 722 C SER A 456 4.615 0.612 7.207 1.00 10.00 C ATOM 723 O SER A 456 5.117 -0.249 7.930 1.00 10.00 O ATOM 724 CB SER A 456 5.537 2.931 7.420 1.00 10.00 C ATOM 725 OG SER A 456 5.596 2.598 8.796 1.00 10.00 O ATOM 0 H SER A 456 4.274 2.700 5.182 1.00 10.00 H new ATOM 0 HA SER A 456 6.500 1.273 6.452 1.00 10.00 H new ATOM 0 HB2 SER A 456 6.406 3.532 7.151 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.655 3.542 7.228 1.00 10.00 H new ATOM 0 HG SER A 456 5.626 3.419 9.330 1.00 10.00 H new ATOM 731 N PHE A 457 3.307 0.666 6.956 1.00 10.00 N ATOM 732 CA PHE A 457 2.397 -0.313 7.539 1.00 10.00 C ATOM 733 C PHE A 457 2.366 -1.585 6.688 1.00 10.00 C ATOM 734 O PHE A 457 2.239 -2.690 7.214 1.00 10.00 O ATOM 735 CB PHE A 457 0.991 0.286 7.723 1.00 10.00 C ATOM 736 CG PHE A 457 0.102 0.191 6.515 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.422 -1.030 6.124 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.210 1.322 5.774 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.235 -1.123 5.015 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.024 1.231 4.665 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.535 0.010 4.283 1.00 10.00 C ATOM 0 H PHE A 457 2.862 1.366 6.363 1.00 10.00 H new ATOM 0 HA PHE A 457 2.764 -0.585 8.529 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.503 -0.219 8.557 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.092 1.335 8.001 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.191 -1.918 6.694 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.188 2.282 6.069 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.637 -2.080 4.718 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.261 2.117 4.095 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.170 -0.062 3.412 1.00 10.00 H new ATOM 751 N LEU A 458 2.516 -1.420 5.374 1.00 10.00 N ATOM 752 CA LEU A 458 2.542 -2.556 4.456 1.00 10.00 C ATOM 753 C LEU A 458 3.954 -2.731 3.898 1.00 10.00 C ATOM 754 O LEU A 458 4.161 -2.805 2.688 1.00 10.00 O ATOM 755 CB LEU A 458 1.525 -2.373 3.321 1.00 10.00 C ATOM 756 CG LEU A 458 1.424 -0.959 2.747 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.766 -0.523 2.185 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.344 -0.890 1.672 1.00 10.00 C ATOM 0 H LEU A 458 2.621 -0.511 4.923 1.00 10.00 H new ATOM 0 HA LEU A 458 2.262 -3.456 5.004 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.783 -3.057 2.512 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.542 -2.669 3.687 1.00 10.00 H new ATOM 0 HG LEU A 458 1.146 -0.278 3.551 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.680 0.485 1.780 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.513 -0.533 2.978 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.069 -1.208 1.393 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.288 0.124 1.277 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.589 -1.581 0.865 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.618 -1.164 2.105 1.00 10.00 H new ATOM 770 N GLU A 459 4.916 -2.775 4.821 1.00 10.00 N ATOM 771 CA GLU A 459 6.344 -2.917 4.507 1.00 10.00 C ATOM 772 C GLU A 459 6.597 -3.754 3.258 1.00 10.00 C ATOM 773 O GLU A 459 7.493 -3.446 2.472 1.00 10.00 O ATOM 774 CB GLU A 459 7.078 -3.538 5.696 1.00 10.00 C ATOM 775 CG GLU A 459 8.496 -3.018 5.874 1.00 10.00 C ATOM 776 CD GLU A 459 9.416 -4.039 6.513 1.00 10.00 C ATOM 777 OE1 GLU A 459 9.836 -4.982 5.809 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.716 -3.897 7.717 1.00 10.00 O ATOM 0 H GLU A 459 4.726 -2.712 5.821 1.00 10.00 H new ATOM 0 HA GLU A 459 6.724 -1.916 4.306 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.511 -3.341 6.606 1.00 10.00 H new ATOM 0 HB3 GLU A 459 7.110 -4.620 5.568 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.898 -2.730 4.903 1.00 10.00 H new ATOM 0 HG3 GLU A 459 8.475 -2.119 6.489 1.00 10.00 H new ATOM 785 N ARG A 460 5.810 -4.809 3.073 1.00 10.00 N ATOM 786 CA ARG A 460 5.959 -5.679 1.908 1.00 10.00 C ATOM 787 C ARG A 460 6.106 -4.852 0.633 1.00 10.00 C ATOM 788 O ARG A 460 6.726 -5.285 -0.338 1.00 10.00 O ATOM 789 CB ARG A 460 4.759 -6.619 1.789 1.00 10.00 C ATOM 790 CG ARG A 460 4.876 -7.868 2.648 1.00 10.00 C ATOM 791 CD ARG A 460 5.683 -8.950 1.950 1.00 10.00 C ATOM 792 NE ARG A 460 7.113 -8.656 1.955 1.00 10.00 N ATOM 793 CZ ARG A 460 7.870 -8.673 3.049 1.00 10.00 C ATOM 794 NH1 ARG A 460 7.338 -8.971 4.228 1.00 10.00 N ATOM 795 NH2 ARG A 460 9.163 -8.393 2.965 1.00 10.00 N ATOM 0 H ARG A 460 5.064 -5.083 3.712 1.00 10.00 H new ATOM 0 HA ARG A 460 6.862 -6.275 2.040 1.00 10.00 H new ATOM 0 HB2 ARG A 460 3.855 -6.078 2.070 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.642 -6.915 0.746 1.00 10.00 H new ATOM 0 HG2 ARG A 460 5.349 -7.615 3.597 1.00 10.00 H new ATOM 0 HG3 ARG A 460 3.880 -8.247 2.879 1.00 10.00 H new ATOM 0 HD2 ARG A 460 5.508 -9.907 2.442 1.00 10.00 H new ATOM 0 HD3 ARG A 460 5.338 -9.053 0.921 1.00 10.00 H new ATOM 0 HE ARG A 460 7.558 -8.424 1.067 1.00 10.00 H new ATOM 0 HH11 ARG A 460 6.344 -9.189 4.299 1.00 10.00 H new ATOM 0 HH12 ARG A 460 7.923 -8.983 5.063 1.00 10.00 H new ATOM 0 HH21 ARG A 460 9.578 -8.164 2.062 1.00 10.00 H new ATOM 0 HH22 ARG A 460 9.743 -8.406 3.804 1.00 10.00 H new ATOM 809 N LYS A 461 5.532 -3.653 0.654 1.00 10.00 N ATOM 810 CA LYS A 461 5.595 -2.745 -0.484 1.00 10.00 C ATOM 811 C LYS A 461 6.668 -1.682 -0.252 1.00 10.00 C ATOM 812 O LYS A 461 7.553 -1.856 0.584 1.00 10.00 O ATOM 813 CB LYS A 461 4.232 -2.075 -0.706 1.00 10.00 C ATOM 814 CG LYS A 461 3.040 -2.915 -0.267 1.00 10.00 C ATOM 815 CD LYS A 461 2.557 -3.821 -1.389 1.00 10.00 C ATOM 816 CE LYS A 461 3.363 -5.107 -1.455 1.00 10.00 C ATOM 817 NZ LYS A 461 2.785 -6.170 -0.588 1.00 10.00 N ATOM 0 H LYS A 461 5.015 -3.287 1.453 1.00 10.00 H new ATOM 0 HA LYS A 461 5.854 -3.320 -1.374 1.00 10.00 H new ATOM 0 HB2 LYS A 461 4.213 -1.129 -0.165 1.00 10.00 H new ATOM 0 HB3 LYS A 461 4.125 -1.839 -1.765 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.317 -3.519 0.597 1.00 10.00 H new ATOM 0 HG3 LYS A 461 2.228 -2.260 0.049 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.504 -4.058 -1.238 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.632 -3.295 -2.340 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.400 -5.460 -2.486 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.390 -4.908 -1.149 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 3.483 -6.930 -0.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.537 -5.766 0.338 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.931 -6.558 -1.037 1.00 10.00 H new ATOM 831 N THR A 462 6.584 -0.580 -0.992 1.00 10.00 N ATOM 832 CA THR A 462 7.547 0.509 -0.856 1.00 10.00 C ATOM 833 C THR A 462 6.974 1.802 -1.425 1.00 10.00 C ATOM 834 O THR A 462 5.937 1.791 -2.082 1.00 10.00 O ATOM 835 CB THR A 462 8.858 0.158 -1.565 1.00 10.00 C ATOM 836 OG1 THR A 462 8.868 -1.202 -1.963 1.00 10.00 O ATOM 837 CG2 THR A 462 10.082 0.396 -0.709 1.00 10.00 C ATOM 0 H THR A 462 5.860 -0.417 -1.691 1.00 10.00 H new ATOM 0 HA THR A 462 7.752 0.654 0.205 1.00 10.00 H new ATOM 0 HB THR A 462 8.904 0.820 -2.430 1.00 10.00 H new ATOM 0 HG1 THR A 462 9.714 -1.404 -2.415 1.00 10.00 H new ATOM 0 HG21 THR A 462 10.977 0.127 -1.271 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.131 1.448 -0.429 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.021 -0.216 0.191 1.00 10.00 H new ATOM 845 N VAL A 463 7.655 2.915 -1.174 1.00 10.00 N ATOM 846 CA VAL A 463 7.202 4.209 -1.672 1.00 10.00 C ATOM 847 C VAL A 463 7.257 4.243 -3.195 1.00 10.00 C ATOM 848 O VAL A 463 6.228 4.358 -3.861 1.00 10.00 O ATOM 849 CB VAL A 463 8.047 5.366 -1.094 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.674 6.693 -1.743 1.00 10.00 C ATOM 851 CG2 VAL A 463 7.882 5.442 0.417 1.00 10.00 C ATOM 0 H VAL A 463 8.518 2.948 -0.632 1.00 10.00 H new ATOM 0 HA VAL A 463 6.171 4.343 -1.345 1.00 10.00 H new ATOM 0 HB VAL A 463 9.095 5.166 -1.318 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.284 7.490 -1.318 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.850 6.635 -2.817 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.621 6.905 -1.559 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.484 6.262 0.808 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.833 5.613 0.660 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.210 4.505 0.866 1.00 10.00 H new ATOM 861 N ALA A 464 8.462 4.132 -3.741 1.00 10.00 N ATOM 862 CA ALA A 464 8.644 4.138 -5.186 1.00 10.00 C ATOM 863 C ALA A 464 8.122 2.844 -5.809 1.00 10.00 C ATOM 864 O ALA A 464 8.008 2.735 -7.029 1.00 10.00 O ATOM 865 CB ALA A 464 10.111 4.339 -5.533 1.00 10.00 C ATOM 0 H ALA A 464 9.325 4.037 -3.206 1.00 10.00 H new ATOM 0 HA ALA A 464 8.069 4.968 -5.597 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.232 4.341 -6.616 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.454 5.291 -5.128 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.701 3.529 -5.104 1.00 10.00 H new ATOM 871 N GLU A 465 7.809 1.864 -4.962 1.00 10.00 N ATOM 872 CA GLU A 465 7.303 0.581 -5.431 1.00 10.00 C ATOM 873 C GLU A 465 5.779 0.519 -5.345 1.00 10.00 C ATOM 874 O GLU A 465 5.143 -0.247 -6.068 1.00 10.00 O ATOM 875 CB GLU A 465 7.915 -0.559 -4.614 1.00 10.00 C ATOM 876 CG GLU A 465 7.667 -1.935 -5.210 1.00 10.00 C ATOM 877 CD GLU A 465 8.683 -2.301 -6.274 1.00 10.00 C ATOM 878 OE1 GLU A 465 8.851 -1.516 -7.230 1.00 10.00 O ATOM 879 OE2 GLU A 465 9.312 -3.374 -6.151 1.00 10.00 O ATOM 0 H GLU A 465 7.898 1.937 -3.949 1.00 10.00 H new ATOM 0 HA GLU A 465 7.590 0.472 -6.477 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.990 -0.397 -4.528 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.507 -0.531 -3.604 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.693 -2.681 -4.416 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.667 -1.965 -5.642 1.00 10.00 H new ATOM 886 N CYS A 466 5.194 1.327 -4.462 1.00 10.00 N ATOM 887 CA CYS A 466 3.745 1.346 -4.303 1.00 10.00 C ATOM 888 C CYS A 466 3.090 2.079 -5.464 1.00 10.00 C ATOM 889 O CYS A 466 1.954 1.782 -5.833 1.00 10.00 O ATOM 890 CB CYS A 466 3.349 2.002 -2.978 1.00 10.00 C ATOM 891 SG CYS A 466 3.227 0.850 -1.591 1.00 10.00 S ATOM 0 H CYS A 466 5.698 1.971 -3.852 1.00 10.00 H new ATOM 0 HA CYS A 466 3.395 0.314 -4.295 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.081 2.772 -2.733 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.389 2.503 -3.106 1.00 10.00 H new ATOM 0 HG CYS A 466 4.368 0.795 -0.971 1.00 10.00 H new ATOM 897 N VAL A 467 3.816 3.031 -6.048 1.00 10.00 N ATOM 898 CA VAL A 467 3.300 3.789 -7.181 1.00 10.00 C ATOM 899 C VAL A 467 2.712 2.843 -8.217 1.00 10.00 C ATOM 900 O VAL A 467 1.736 3.162 -8.889 1.00 10.00 O ATOM 901 CB VAL A 467 4.400 4.638 -7.850 1.00 10.00 C ATOM 902 CG1 VAL A 467 3.857 5.355 -9.082 1.00 10.00 C ATOM 903 CG2 VAL A 467 4.985 5.634 -6.861 1.00 10.00 C ATOM 0 H VAL A 467 4.757 3.293 -5.756 1.00 10.00 H new ATOM 0 HA VAL A 467 2.529 4.459 -6.799 1.00 10.00 H new ATOM 0 HB VAL A 467 5.198 3.969 -8.172 1.00 10.00 H new ATOM 0 HG11 VAL A 467 4.650 5.948 -9.537 1.00 10.00 H new ATOM 0 HG12 VAL A 467 3.495 4.620 -9.801 1.00 10.00 H new ATOM 0 HG13 VAL A 467 3.037 6.011 -8.789 1.00 10.00 H new ATOM 0 HG21 VAL A 467 5.759 6.223 -7.353 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.197 6.297 -6.503 1.00 10.00 H new ATOM 0 HG23 VAL A 467 5.419 5.097 -6.017 1.00 10.00 H new ATOM 913 N LEU A 468 3.321 1.670 -8.335 1.00 10.00 N ATOM 914 CA LEU A 468 2.871 0.665 -9.285 1.00 10.00 C ATOM 915 C LEU A 468 1.370 0.430 -9.174 1.00 10.00 C ATOM 916 O LEU A 468 0.710 0.100 -10.156 1.00 10.00 O ATOM 917 CB LEU A 468 3.626 -0.647 -9.061 1.00 10.00 C ATOM 918 CG LEU A 468 4.067 -1.368 -10.336 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.411 -2.048 -10.130 1.00 10.00 C ATOM 920 CD2 LEU A 468 3.015 -2.381 -10.765 1.00 10.00 C ATOM 0 H LEU A 468 4.131 1.392 -7.781 1.00 10.00 H new ATOM 0 HA LEU A 468 3.081 1.034 -10.289 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.508 -0.441 -8.455 1.00 10.00 H new ATOM 0 HB3 LEU A 468 2.992 -1.319 -8.483 1.00 10.00 H new ATOM 0 HG LEU A 468 4.177 -0.628 -11.129 1.00 10.00 H new ATOM 0 HD11 LEU A 468 5.707 -2.555 -11.048 1.00 10.00 H new ATOM 0 HD12 LEU A 468 6.161 -1.301 -9.870 1.00 10.00 H new ATOM 0 HD13 LEU A 468 5.330 -2.776 -9.323 1.00 10.00 H new ATOM 0 HD21 LEU A 468 3.344 -2.885 -11.674 1.00 10.00 H new ATOM 0 HD22 LEU A 468 2.874 -3.116 -9.973 1.00 10.00 H new ATOM 0 HD23 LEU A 468 2.072 -1.868 -10.956 1.00 10.00 H new ATOM 932 N TYR A 469 0.842 0.595 -7.969 1.00 10.00 N ATOM 933 CA TYR A 469 -0.578 0.390 -7.725 1.00 10.00 C ATOM 934 C TYR A 469 -1.408 1.634 -8.062 1.00 10.00 C ATOM 935 O TYR A 469 -2.634 1.599 -7.990 1.00 10.00 O ATOM 936 CB TYR A 469 -0.809 -0.059 -6.270 1.00 10.00 C ATOM 937 CG TYR A 469 -1.313 1.002 -5.314 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.852 2.305 -5.398 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.240 0.692 -4.317 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.293 3.278 -4.526 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.687 1.663 -3.444 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.211 2.954 -3.553 1.00 10.00 C ATOM 943 OH TYR A 469 -2.646 3.923 -2.683 1.00 10.00 O ATOM 0 H TYR A 469 1.376 0.870 -7.145 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.919 -0.402 -8.392 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.523 -0.882 -6.275 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.129 -0.453 -5.880 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.133 2.564 -6.161 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.611 -0.318 -4.228 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.920 4.288 -4.606 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.407 1.414 -2.678 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.260 3.764 -1.796 1.00 10.00 H new ATOM 953 N TYR A 470 -0.742 2.735 -8.426 1.00 10.00 N ATOM 954 CA TYR A 470 -1.445 3.969 -8.759 1.00 10.00 C ATOM 955 C TYR A 470 -1.946 3.930 -10.199 1.00 10.00 C ATOM 956 O TYR A 470 -3.118 4.199 -10.462 1.00 10.00 O ATOM 957 CB TYR A 470 -0.537 5.186 -8.518 1.00 10.00 C ATOM 958 CG TYR A 470 -0.130 5.929 -9.773 1.00 10.00 C ATOM 959 CD1 TYR A 470 0.952 5.503 -10.529 1.00 10.00 C ATOM 960 CD2 TYR A 470 -0.829 7.050 -10.201 1.00 10.00 C ATOM 961 CE1 TYR A 470 1.329 6.170 -11.674 1.00 10.00 C ATOM 962 CE2 TYR A 470 -0.459 7.725 -11.348 1.00 10.00 C ATOM 963 CZ TYR A 470 0.621 7.281 -12.082 1.00 10.00 C ATOM 964 OH TYR A 470 0.994 7.950 -13.225 1.00 10.00 O ATOM 0 H TYR A 470 0.274 2.793 -8.496 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.313 4.062 -8.107 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -1.051 5.879 -7.852 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.363 4.854 -8.000 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.509 4.633 -10.214 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -1.675 7.400 -9.628 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.175 5.824 -12.249 1.00 10.00 H new ATOM 0 HE2 TYR A 470 -1.012 8.595 -11.668 1.00 10.00 H new ATOM 0 HH TYR A 470 0.391 8.709 -13.372 1.00 10.00 H new ATOM 974 N TYR A 471 -1.065 3.574 -11.130 1.00 10.00 N ATOM 975 CA TYR A 471 -1.457 3.487 -12.529 1.00 10.00 C ATOM 976 C TYR A 471 -2.237 2.196 -12.774 1.00 10.00 C ATOM 977 O TYR A 471 -2.813 1.997 -13.843 1.00 10.00 O ATOM 978 CB TYR A 471 -0.240 3.586 -13.455 1.00 10.00 C ATOM 979 CG TYR A 471 0.694 2.399 -13.403 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.470 1.281 -14.198 1.00 10.00 C ATOM 981 CD2 TYR A 471 1.810 2.403 -12.575 1.00 10.00 C ATOM 982 CE1 TYR A 471 1.331 0.201 -14.169 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.672 1.325 -12.539 1.00 10.00 C ATOM 984 CZ TYR A 471 2.429 0.227 -13.337 1.00 10.00 C ATOM 985 OH TYR A 471 3.289 -0.846 -13.305 1.00 10.00 O ATOM 0 H TYR A 471 -0.089 3.344 -10.943 1.00 10.00 H new ATOM 0 HA TYR A 471 -2.106 4.332 -12.760 1.00 10.00 H new ATOM 0 HB2 TYR A 471 -0.590 3.711 -14.480 1.00 10.00 H new ATOM 0 HB3 TYR A 471 0.322 4.484 -13.199 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.391 1.256 -14.849 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.006 3.262 -11.950 1.00 10.00 H new ATOM 0 HE1 TYR A 471 1.144 -0.659 -14.795 1.00 10.00 H new ATOM 0 HE2 TYR A 471 3.534 1.342 -11.888 1.00 10.00 H new ATOM 0 HH TYR A 471 4.211 -0.530 -13.410 1.00 10.00 H new