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 421 LYS NZ :NH3+ -178:sc= 0.0269 (180deg=0) USER MOD Set 1.2: A 439 THR OG1 : rot 150:sc= 0.0279 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -2.89! C(o=-2.9!,f=-1.6!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -1.74 K(o=-1.7,f=-0.32) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.023) USER MOD Single : A 437 LYS NZ :NH3+ -126:sc= -0.195 (180deg=-0.974) 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= -0.426 X(o=-0.43,f=-0.1) USER MOD Single : A 447 HIS : no HE2:sc= -14.2! C(o=-14!,f=-13!) USER MOD Single : A 449 LYS NZ :NH3+ -154:sc= 1.25 (180deg=0.578) USER MOD Single : A 450 ASN : amide:sc= -4.16! C(o=-4.2!,f=-13!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -124:sc= -3.63! (180deg=-7.05!) USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 466 CYS SG : rot 54:sc= 1.51 USER MOD Single : A 469 TYR OH : rot 30:sc= -2.08! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.193 -4.809 8.674 1.00 10.00 N ATOM 112 CA LYS A 421 -1.050 -4.954 7.500 1.00 10.00 C ATOM 113 C LYS A 421 -0.221 -5.091 6.230 1.00 10.00 C ATOM 114 O LYS A 421 0.293 -4.107 5.701 1.00 10.00 O ATOM 115 CB LYS A 421 -2.003 -3.765 7.367 1.00 10.00 C ATOM 116 CG LYS A 421 -2.668 -3.676 6.000 1.00 10.00 C ATOM 117 CD LYS A 421 -3.969 -4.454 5.945 1.00 10.00 C ATOM 118 CE LYS A 421 -4.954 -3.986 7.005 1.00 10.00 C ATOM 119 NZ LYS A 421 -6.351 -3.958 6.492 1.00 10.00 N ATOM 0 HA LYS A 421 -1.637 -5.863 7.635 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.774 -3.839 8.134 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.452 -2.844 7.556 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -2.861 -2.631 5.759 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -1.986 -4.058 5.240 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.418 -4.342 4.958 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -3.764 -5.515 6.083 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.898 -4.647 7.870 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -4.673 -2.990 7.347 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -6.986 -3.601 7.234 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.404 -3.334 5.662 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -6.641 -4.919 6.221 1.00 10.00 H new ATOM 133 N VAL A 422 -0.113 -6.320 5.746 1.00 10.00 N ATOM 134 CA VAL A 422 0.636 -6.609 4.535 1.00 10.00 C ATOM 135 C VAL A 422 0.671 -8.116 4.298 1.00 10.00 C ATOM 136 O VAL A 422 0.326 -8.606 3.225 1.00 10.00 O ATOM 137 CB VAL A 422 2.064 -6.020 4.612 1.00 10.00 C ATOM 138 CG1 VAL A 422 3.023 -6.927 5.374 1.00 10.00 C ATOM 139 CG2 VAL A 422 2.591 -5.716 3.222 1.00 10.00 C ATOM 0 H VAL A 422 -0.540 -7.139 6.179 1.00 10.00 H new ATOM 0 HA VAL A 422 0.136 -6.136 3.690 1.00 10.00 H new ATOM 0 HB VAL A 422 2.000 -5.087 5.172 1.00 10.00 H new ATOM 0 HG11 VAL A 422 4.012 -6.470 5.401 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.660 -7.067 6.392 1.00 10.00 H new ATOM 0 HG13 VAL A 422 3.083 -7.894 4.875 1.00 10.00 H new ATOM 0 HG21 VAL A 422 3.597 -5.302 3.297 1.00 10.00 H new ATOM 0 HG22 VAL A 422 2.619 -6.634 2.635 1.00 10.00 H new ATOM 0 HG23 VAL A 422 1.937 -4.993 2.735 1.00 10.00 H new ATOM 149 N TYR A 423 1.050 -8.831 5.343 1.00 10.00 N ATOM 150 CA TYR A 423 1.104 -10.284 5.351 1.00 10.00 C ATOM 151 C TYR A 423 -0.153 -10.874 4.718 1.00 10.00 C ATOM 152 O TYR A 423 -0.120 -11.965 4.147 1.00 10.00 O ATOM 153 CB TYR A 423 1.210 -10.757 6.807 1.00 10.00 C ATOM 154 CG TYR A 423 0.118 -10.181 7.690 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.027 -8.807 7.820 1.00 10.00 C ATOM 156 CD2 TYR A 423 -0.773 -10.996 8.376 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.008 -8.254 8.593 1.00 10.00 C ATOM 158 CE2 TYR A 423 -1.773 -10.449 9.163 1.00 10.00 C ATOM 159 CZ TYR A 423 -1.888 -9.076 9.267 1.00 10.00 C ATOM 160 OH TYR A 423 -2.878 -8.526 10.047 1.00 10.00 O ATOM 0 H TYR A 423 1.335 -8.410 6.228 1.00 10.00 H new ATOM 0 HA TYR A 423 1.967 -10.616 4.775 1.00 10.00 H new ATOM 0 HB2 TYR A 423 1.159 -11.845 6.836 1.00 10.00 H new ATOM 0 HB3 TYR A 423 2.183 -10.473 7.207 1.00 10.00 H new ATOM 0 HD1 TYR A 423 0.656 -8.156 7.295 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -0.685 -12.069 8.295 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -1.094 -7.181 8.676 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -2.460 -11.093 9.693 1.00 10.00 H new ATOM 0 HH TYR A 423 -3.412 -9.242 10.451 1.00 10.00 H new ATOM 170 N LYS A 424 -1.264 -10.147 4.828 1.00 10.00 N ATOM 171 CA LYS A 424 -2.531 -10.604 4.270 1.00 10.00 C ATOM 172 C LYS A 424 -2.509 -10.540 2.749 1.00 10.00 C ATOM 173 O LYS A 424 -3.166 -11.335 2.074 1.00 10.00 O ATOM 174 CB LYS A 424 -3.685 -9.760 4.812 1.00 10.00 C ATOM 175 CG LYS A 424 -4.260 -10.282 6.119 1.00 10.00 C ATOM 176 CD LYS A 424 -5.686 -9.802 6.330 1.00 10.00 C ATOM 177 CE LYS A 424 -5.725 -8.506 7.123 1.00 10.00 C ATOM 178 NZ LYS A 424 -6.954 -8.402 7.958 1.00 10.00 N ATOM 0 H LYS A 424 -1.310 -9.242 5.297 1.00 10.00 H new ATOM 0 HA LYS A 424 -2.678 -11.642 4.569 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.338 -8.738 4.960 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -4.478 -9.722 4.065 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -4.238 -11.372 6.118 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.637 -9.951 6.950 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -6.168 -9.653 5.364 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -6.255 -10.569 6.855 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -4.845 -8.446 7.763 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -5.679 -7.660 6.438 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -6.942 -7.504 8.483 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -7.794 -8.434 7.345 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -6.985 -9.195 8.630 1.00 10.00 H new ATOM 192 N ASP A 425 -1.758 -9.586 2.213 1.00 10.00 N ATOM 193 CA ASP A 425 -1.662 -9.415 0.770 1.00 10.00 C ATOM 194 C ASP A 425 -0.241 -9.095 0.331 1.00 10.00 C ATOM 195 O ASP A 425 0.040 -8.010 -0.176 1.00 10.00 O ATOM 196 CB ASP A 425 -2.623 -8.326 0.311 1.00 10.00 C ATOM 197 CG ASP A 425 -3.934 -8.902 -0.192 1.00 10.00 C ATOM 198 OD1 ASP A 425 -4.262 -10.047 0.184 1.00 10.00 O ATOM 199 OD2 ASP A 425 -4.634 -8.209 -0.960 1.00 10.00 O ATOM 0 H ASP A 425 -1.208 -8.920 2.755 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.939 -10.359 0.301 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -2.820 -7.644 1.138 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -2.156 -7.740 -0.481 1.00 10.00 H new ATOM 204 N ARG A 426 0.646 -10.066 0.503 1.00 10.00 N ATOM 205 CA ARG A 426 2.033 -9.911 0.094 1.00 10.00 C ATOM 206 C ARG A 426 2.160 -10.158 -1.406 1.00 10.00 C ATOM 207 O ARG A 426 3.176 -9.826 -2.019 1.00 10.00 O ATOM 208 CB ARG A 426 2.934 -10.875 0.868 1.00 10.00 C ATOM 209 CG ARG A 426 4.408 -10.743 0.518 1.00 10.00 C ATOM 210 CD ARG A 426 4.835 -11.788 -0.501 1.00 10.00 C ATOM 211 NE ARG A 426 6.229 -12.188 -0.324 1.00 10.00 N ATOM 212 CZ ARG A 426 7.267 -11.449 -0.712 1.00 10.00 C ATOM 213 NH1 ARG A 426 7.072 -10.274 -1.298 1.00 10.00 N ATOM 214 NH2 ARG A 426 8.502 -11.888 -0.513 1.00 10.00 N ATOM 0 H ARG A 426 0.428 -10.969 0.923 1.00 10.00 H new ATOM 0 HA ARG A 426 2.352 -8.893 0.316 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.806 -10.701 1.936 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.612 -11.898 0.671 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.601 -9.746 0.121 1.00 10.00 H new ATOM 0 HG3 ARG A 426 5.008 -10.848 1.422 1.00 10.00 H new ATOM 0 HD2 ARG A 426 4.193 -12.664 -0.413 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.697 -11.391 -1.507 1.00 10.00 H new ATOM 0 HE ARG A 426 6.418 -13.085 0.123 1.00 10.00 H new ATOM 0 HH11 ARG A 426 6.123 -9.933 -1.453 1.00 10.00 H new ATOM 0 HH12 ARG A 426 7.871 -9.712 -1.593 1.00 10.00 H new ATOM 0 HH21 ARG A 426 8.656 -12.790 -0.063 1.00 10.00 H new ATOM 0 HH22 ARG A 426 9.298 -11.323 -0.810 1.00 10.00 H new ATOM 228 N GLN A 427 1.107 -10.730 -1.997 1.00 10.00 N ATOM 229 CA GLN A 427 1.090 -11.003 -3.430 1.00 10.00 C ATOM 230 C GLN A 427 0.297 -9.928 -4.163 1.00 10.00 C ATOM 231 O GLN A 427 -0.103 -10.095 -5.315 1.00 10.00 O ATOM 232 CB GLN A 427 0.524 -12.401 -3.729 1.00 10.00 C ATOM 233 CG GLN A 427 -0.202 -13.052 -2.557 1.00 10.00 C ATOM 234 CD GLN A 427 0.728 -13.406 -1.410 1.00 10.00 C ATOM 235 OE1 GLN A 427 1.734 -14.090 -1.597 1.00 10.00 O ATOM 236 NE2 GLN A 427 0.393 -12.939 -0.210 1.00 10.00 N ATOM 0 H GLN A 427 0.259 -11.011 -1.504 1.00 10.00 H new ATOM 0 HA GLN A 427 2.119 -10.984 -3.790 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -0.164 -12.328 -4.571 1.00 10.00 H new ATOM 0 HB3 GLN A 427 1.341 -13.051 -4.040 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -0.977 -12.376 -2.195 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -0.704 -13.955 -2.903 1.00 10.00 H new ATOM 0 HE21 GLN A 427 -0.450 -12.375 -0.099 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.979 -13.144 0.599 1.00 10.00 H new ATOM 245 N VAL A 428 0.110 -8.817 -3.475 1.00 10.00 N ATOM 246 CA VAL A 428 -0.597 -7.659 -4.011 1.00 10.00 C ATOM 247 C VAL A 428 0.399 -6.719 -4.663 1.00 10.00 C ATOM 248 O VAL A 428 0.083 -6.037 -5.634 1.00 10.00 O ATOM 249 CB VAL A 428 -1.364 -6.936 -2.890 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.374 -5.422 -3.080 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.779 -7.483 -2.790 1.00 10.00 C ATOM 0 H VAL A 428 0.446 -8.688 -2.520 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.318 -7.991 -4.758 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.842 -7.129 -1.953 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.927 -4.957 -2.264 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.350 -5.049 -3.083 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -1.852 -5.177 -4.028 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -3.314 -6.965 -1.994 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.297 -7.327 -3.736 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -2.742 -8.550 -2.568 1.00 10.00 H new ATOM 261 N MET A 429 1.611 -6.703 -4.127 1.00 10.00 N ATOM 262 CA MET A 429 2.679 -5.862 -4.672 1.00 10.00 C ATOM 263 C MET A 429 2.661 -5.903 -6.203 1.00 10.00 C ATOM 264 O MET A 429 3.002 -4.923 -6.867 1.00 10.00 O ATOM 265 CB MET A 429 4.040 -6.330 -4.151 1.00 10.00 C ATOM 266 CG MET A 429 4.432 -7.719 -4.629 1.00 10.00 C ATOM 267 SD MET A 429 5.697 -7.684 -5.914 1.00 10.00 S ATOM 268 CE MET A 429 6.724 -9.065 -5.416 1.00 10.00 C ATOM 0 H MET A 429 1.884 -7.260 -3.317 1.00 10.00 H new ATOM 0 HA MET A 429 2.511 -4.835 -4.347 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.804 -5.618 -4.465 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.025 -6.321 -3.061 1.00 10.00 H new ATOM 0 HG2 MET A 429 4.797 -8.300 -3.782 1.00 10.00 H new ATOM 0 HG3 MET A 429 3.548 -8.230 -5.010 1.00 10.00 H new ATOM 0 HE1 MET A 429 7.553 -9.173 -6.115 1.00 10.00 H new ATOM 0 HE2 MET A 429 7.115 -8.885 -4.415 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.130 -9.979 -5.415 1.00 10.00 H new ATOM 278 N ASN A 430 2.239 -7.043 -6.748 1.00 10.00 N ATOM 279 CA ASN A 430 2.146 -7.228 -8.193 1.00 10.00 C ATOM 280 C ASN A 430 0.713 -7.588 -8.590 1.00 10.00 C ATOM 281 O ASN A 430 0.485 -8.277 -9.585 1.00 10.00 O ATOM 282 CB ASN A 430 3.108 -8.329 -8.647 1.00 10.00 C ATOM 283 CG ASN A 430 4.376 -7.772 -9.267 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.871 -8.290 -10.266 1.00 10.00 O ATOM 285 ND2 ASN A 430 4.906 -6.709 -8.673 1.00 10.00 N ATOM 0 H ASN A 430 1.954 -7.858 -6.204 1.00 10.00 H new ATOM 0 HA ASN A 430 2.422 -6.294 -8.683 1.00 10.00 H new ATOM 0 HB2 ASN A 430 3.369 -8.954 -7.793 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.605 -8.971 -9.370 1.00 10.00 H new ATOM 0 HD21 ASN A 430 5.758 -6.289 -9.044 1.00 10.00 H new ATOM 0 HD22 ASN A 430 4.461 -6.312 -7.846 1.00 10.00 H new ATOM 292 N MET A 431 -0.246 -7.113 -7.794 1.00 10.00 N ATOM 293 CA MET A 431 -1.668 -7.366 -8.023 1.00 10.00 C ATOM 294 C MET A 431 -2.483 -7.018 -6.776 1.00 10.00 C ATOM 295 O MET A 431 -3.010 -7.900 -6.097 1.00 10.00 O ATOM 296 CB MET A 431 -1.910 -8.827 -8.398 1.00 10.00 C ATOM 297 CG MET A 431 -2.110 -9.051 -9.888 1.00 10.00 C ATOM 298 SD MET A 431 -3.851 -9.095 -10.356 1.00 10.00 S ATOM 299 CE MET A 431 -3.930 -10.664 -11.217 1.00 10.00 C ATOM 0 H MET A 431 -0.057 -6.541 -6.971 1.00 10.00 H new ATOM 0 HA MET A 431 -1.988 -6.733 -8.850 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.063 -9.424 -8.060 1.00 10.00 H new ATOM 0 HB3 MET A 431 -2.789 -9.189 -7.864 1.00 10.00 H new ATOM 0 HG2 MET A 431 -1.609 -8.257 -10.441 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.636 -9.989 -10.177 1.00 10.00 H new ATOM 0 HE1 MET A 431 -4.947 -10.835 -11.569 1.00 10.00 H new ATOM 0 HE2 MET A 431 -3.250 -10.646 -12.069 1.00 10.00 H new ATOM 0 HE3 MET A 431 -3.641 -11.466 -10.538 1.00 10.00 H new ATOM 309 N TRP A 432 -2.586 -5.729 -6.490 1.00 10.00 N ATOM 310 CA TRP A 432 -3.340 -5.249 -5.334 1.00 10.00 C ATOM 311 C TRP A 432 -4.812 -5.492 -5.541 1.00 10.00 C ATOM 312 O TRP A 432 -5.396 -5.096 -6.551 1.00 10.00 O ATOM 313 CB TRP A 432 -3.059 -3.767 -5.058 1.00 10.00 C ATOM 314 CG TRP A 432 -1.655 -3.336 -5.388 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.073 -3.348 -6.615 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.655 -2.836 -4.482 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.208 -2.873 -6.539 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.489 -2.551 -5.245 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.618 -2.593 -3.109 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.653 -2.035 -4.687 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.540 -2.084 -2.550 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.662 -1.806 -3.340 1.00 10.00 C ATOM 0 H TRP A 432 -2.155 -4.989 -7.045 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.014 -5.808 -4.457 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.758 -3.162 -5.635 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.253 -3.561 -4.005 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.553 -3.685 -7.522 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.850 -2.775 -7.325 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.480 -2.799 -2.492 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.519 -1.823 -5.296 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.579 -1.898 -1.487 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.550 -1.403 -2.876 1.00 10.00 H new ATOM 333 N SER A 433 -5.399 -6.170 -4.575 1.00 10.00 N ATOM 334 CA SER A 433 -6.811 -6.504 -4.634 1.00 10.00 C ATOM 335 C SER A 433 -7.664 -5.261 -4.470 1.00 10.00 C ATOM 336 O SER A 433 -7.323 -4.363 -3.700 1.00 10.00 O ATOM 337 CB SER A 433 -7.161 -7.531 -3.555 1.00 10.00 C ATOM 338 OG SER A 433 -7.958 -8.576 -4.085 1.00 10.00 O ATOM 0 H SER A 433 -4.920 -6.502 -3.738 1.00 10.00 H new ATOM 0 HA SER A 433 -7.018 -6.938 -5.612 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.246 -7.946 -3.133 1.00 10.00 H new ATOM 0 HB3 SER A 433 -7.694 -7.040 -2.741 1.00 10.00 H new ATOM 0 HG SER A 433 -8.167 -9.220 -3.376 1.00 10.00 H new ATOM 344 N GLU A 434 -8.789 -5.215 -5.181 1.00 10.00 N ATOM 345 CA GLU A 434 -9.696 -4.080 -5.085 1.00 10.00 C ATOM 346 C GLU A 434 -9.979 -3.768 -3.618 1.00 10.00 C ATOM 347 O GLU A 434 -10.300 -2.636 -3.258 1.00 10.00 O ATOM 348 CB GLU A 434 -11.005 -4.375 -5.822 1.00 10.00 C ATOM 349 CG GLU A 434 -11.606 -3.158 -6.504 1.00 10.00 C ATOM 350 CD GLU A 434 -12.559 -2.395 -5.603 1.00 10.00 C ATOM 351 OE1 GLU A 434 -13.704 -2.860 -5.421 1.00 10.00 O ATOM 352 OE2 GLU A 434 -12.159 -1.333 -5.081 1.00 10.00 O ATOM 0 H GLU A 434 -9.090 -5.947 -5.825 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.225 -3.215 -5.551 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -10.825 -5.148 -6.569 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.728 -4.778 -5.113 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -10.804 -2.493 -6.825 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -12.136 -3.474 -7.402 1.00 10.00 H new ATOM 359 N GLN A 435 -9.842 -4.792 -2.778 1.00 10.00 N ATOM 360 CA GLN A 435 -10.065 -4.653 -1.351 1.00 10.00 C ATOM 361 C GLN A 435 -8.779 -4.260 -0.632 1.00 10.00 C ATOM 362 O GLN A 435 -8.826 -3.576 0.390 1.00 10.00 O ATOM 363 CB GLN A 435 -10.602 -5.960 -0.771 1.00 10.00 C ATOM 364 CG GLN A 435 -11.862 -6.459 -1.458 1.00 10.00 C ATOM 365 CD GLN A 435 -13.037 -5.520 -1.273 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.857 -5.701 -0.373 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.126 -4.508 -2.130 1.00 10.00 N ATOM 0 H GLN A 435 -9.575 -5.732 -3.070 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.800 -3.863 -1.200 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -9.830 -6.726 -0.847 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.808 -5.819 0.290 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.666 -6.584 -2.523 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -12.121 -7.442 -1.064 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.424 -4.396 -2.861 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -13.896 -3.844 -2.056 1.00 10.00 H new ATOM 376 N GLU A 436 -7.625 -4.682 -1.159 1.00 10.00 N ATOM 377 CA GLU A 436 -6.366 -4.341 -0.530 1.00 10.00 C ATOM 378 C GLU A 436 -6.027 -2.884 -0.803 1.00 10.00 C ATOM 379 O GLU A 436 -5.620 -2.153 0.100 1.00 10.00 O ATOM 380 CB GLU A 436 -5.265 -5.279 -1.008 1.00 10.00 C ATOM 381 CG GLU A 436 -4.341 -5.722 0.113 1.00 10.00 C ATOM 382 CD GLU A 436 -5.056 -6.549 1.164 1.00 10.00 C ATOM 383 OE1 GLU A 436 -6.081 -7.179 0.827 1.00 10.00 O ATOM 384 OE2 GLU A 436 -4.593 -6.565 2.324 1.00 10.00 O ATOM 0 H GLU A 436 -7.546 -5.249 -2.003 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.455 -4.465 0.549 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.717 -6.157 -1.469 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.679 -4.780 -1.780 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -3.520 -6.304 -0.306 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -3.900 -4.844 0.585 1.00 10.00 H new ATOM 391 N LYS A 437 -6.252 -2.450 -2.038 1.00 10.00 N ATOM 392 CA LYS A 437 -6.026 -1.055 -2.409 1.00 10.00 C ATOM 393 C LYS A 437 -6.845 -0.154 -1.497 1.00 10.00 C ATOM 394 O LYS A 437 -6.568 1.031 -1.362 1.00 10.00 O ATOM 395 CB LYS A 437 -6.426 -0.828 -3.869 1.00 10.00 C ATOM 396 CG LYS A 437 -5.803 0.412 -4.490 1.00 10.00 C ATOM 397 CD LYS A 437 -6.839 1.257 -5.214 1.00 10.00 C ATOM 398 CE LYS A 437 -7.521 0.476 -6.327 1.00 10.00 C ATOM 399 NZ LYS A 437 -8.905 0.069 -5.955 1.00 10.00 N ATOM 0 H LYS A 437 -6.590 -3.040 -2.798 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.968 -0.818 -2.298 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -6.137 -1.701 -4.455 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.511 -0.748 -3.930 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -5.326 1.008 -3.712 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -5.021 0.116 -5.189 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -7.587 1.605 -4.502 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -6.360 2.143 -5.631 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -7.553 1.085 -7.231 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -6.932 -0.411 -6.561 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -9.010 -0.958 -6.078 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -9.085 0.319 -4.962 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -9.588 0.562 -6.565 1.00 10.00 H new ATOM 413 N GLU A 438 -7.852 -0.742 -0.863 1.00 10.00 N ATOM 414 CA GLU A 438 -8.717 -0.008 0.045 1.00 10.00 C ATOM 415 C GLU A 438 -7.960 0.472 1.274 1.00 10.00 C ATOM 416 O GLU A 438 -8.384 1.416 1.932 1.00 10.00 O ATOM 417 CB GLU A 438 -9.888 -0.886 0.476 1.00 10.00 C ATOM 418 CG GLU A 438 -11.190 -0.125 0.654 1.00 10.00 C ATOM 419 CD GLU A 438 -12.043 -0.683 1.777 1.00 10.00 C ATOM 420 OE1 GLU A 438 -12.642 -1.763 1.588 1.00 10.00 O ATOM 421 OE2 GLU A 438 -12.112 -0.041 2.846 1.00 10.00 O ATOM 0 H GLU A 438 -8.088 -1.729 -0.963 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.089 0.867 -0.488 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.035 -1.670 -0.267 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.635 -1.379 1.415 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.969 0.923 0.857 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.756 -0.157 -0.277 1.00 10.00 H new ATOM 428 N THR A 439 -6.849 -0.185 1.591 1.00 10.00 N ATOM 429 CA THR A 439 -6.060 0.197 2.757 1.00 10.00 C ATOM 430 C THR A 439 -4.991 1.218 2.387 1.00 10.00 C ATOM 431 O THR A 439 -4.851 2.248 3.046 1.00 10.00 O ATOM 432 CB THR A 439 -5.419 -1.037 3.395 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.411 -1.962 3.803 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.567 -0.718 4.606 1.00 10.00 C ATOM 0 H THR A 439 -6.478 -0.975 1.064 1.00 10.00 H new ATOM 0 HA THR A 439 -6.731 0.659 3.481 1.00 10.00 H new ATOM 0 HB THR A 439 -4.776 -1.457 2.621 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.051 -2.872 3.751 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.144 -1.639 5.007 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.760 -0.045 4.316 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.182 -0.240 5.368 1.00 10.00 H new ATOM 442 N PHE A 440 -4.245 0.934 1.329 1.00 10.00 N ATOM 443 CA PHE A 440 -3.199 1.836 0.875 1.00 10.00 C ATOM 444 C PHE A 440 -3.815 3.058 0.216 1.00 10.00 C ATOM 445 O PHE A 440 -3.348 4.181 0.405 1.00 10.00 O ATOM 446 CB PHE A 440 -2.265 1.133 -0.113 1.00 10.00 C ATOM 447 CG PHE A 440 -2.577 -0.304 -0.333 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.494 -1.230 0.689 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.965 -0.719 -1.577 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.794 -2.552 0.452 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.266 -2.025 -1.822 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.179 -2.944 -0.811 1.00 10.00 C ATOM 0 H PHE A 440 -4.345 0.087 0.770 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.617 2.147 1.742 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.309 1.653 -1.070 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.241 1.219 0.249 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -2.193 -0.915 1.677 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.034 0.001 -2.379 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.728 -3.277 1.250 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.572 -2.334 -2.810 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.413 -3.980 -1.005 1.00 10.00 H new ATOM 462 N ARG A 441 -4.871 2.833 -0.560 1.00 10.00 N ATOM 463 CA ARG A 441 -5.547 3.926 -1.240 1.00 10.00 C ATOM 464 C ARG A 441 -6.271 4.814 -0.231 1.00 10.00 C ATOM 465 O ARG A 441 -6.491 5.998 -0.481 1.00 10.00 O ATOM 466 CB ARG A 441 -6.543 3.404 -2.277 1.00 10.00 C ATOM 467 CG ARG A 441 -7.001 4.464 -3.267 1.00 10.00 C ATOM 468 CD ARG A 441 -8.291 5.127 -2.814 1.00 10.00 C ATOM 469 NE ARG A 441 -9.042 5.686 -3.937 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.712 4.950 -4.819 1.00 10.00 C ATOM 471 NH1 ARG A 441 -9.727 3.627 -4.715 1.00 10.00 N ATOM 472 NH2 ARG A 441 -10.369 5.538 -5.810 1.00 10.00 N ATOM 0 H ARG A 441 -5.272 1.911 -0.731 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.789 4.513 -1.758 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -6.086 2.580 -2.825 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.414 3.000 -1.761 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -6.223 5.219 -3.380 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -7.149 4.009 -4.247 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.910 4.398 -2.291 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -8.061 5.919 -2.101 1.00 10.00 H new ATOM 0 HE ARG A 441 -9.053 6.700 -4.051 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.223 3.169 -3.956 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -10.243 3.068 -5.395 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -10.360 6.554 -5.895 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -10.883 4.974 -6.487 1.00 10.00 H new ATOM 486 N GLU A 442 -6.642 4.233 0.914 1.00 10.00 N ATOM 487 CA GLU A 442 -7.340 4.982 1.952 1.00 10.00 C ATOM 488 C GLU A 442 -6.357 5.735 2.832 1.00 10.00 C ATOM 489 O GLU A 442 -6.607 6.873 3.223 1.00 10.00 O ATOM 490 CB GLU A 442 -8.190 4.049 2.815 1.00 10.00 C ATOM 491 CG GLU A 442 -9.655 4.017 2.415 1.00 10.00 C ATOM 492 CD GLU A 442 -10.410 2.868 3.056 1.00 10.00 C ATOM 493 OE1 GLU A 442 -9.928 2.340 4.080 1.00 10.00 O ATOM 494 OE2 GLU A 442 -11.482 2.498 2.535 1.00 10.00 O ATOM 0 H GLU A 442 -6.470 3.253 1.141 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.993 5.701 1.458 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -7.783 3.040 2.753 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -8.113 4.361 3.857 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -10.126 4.959 2.698 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.730 3.936 1.331 1.00 10.00 H new ATOM 501 N LYS A 443 -5.233 5.097 3.139 1.00 10.00 N ATOM 502 CA LYS A 443 -4.221 5.718 3.967 1.00 10.00 C ATOM 503 C LYS A 443 -3.571 6.864 3.212 1.00 10.00 C ATOM 504 O LYS A 443 -3.358 7.939 3.763 1.00 10.00 O ATOM 505 CB LYS A 443 -3.174 4.685 4.385 1.00 10.00 C ATOM 506 CG LYS A 443 -3.697 3.660 5.378 1.00 10.00 C ATOM 507 CD LYS A 443 -3.400 4.067 6.812 1.00 10.00 C ATOM 508 CE LYS A 443 -3.764 2.964 7.791 1.00 10.00 C ATOM 509 NZ LYS A 443 -5.238 2.813 7.935 1.00 10.00 N ATOM 0 H LYS A 443 -5.005 4.153 2.825 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.689 6.114 4.868 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.811 4.167 3.497 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.320 5.202 4.824 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -4.773 3.543 5.248 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.244 2.690 5.173 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -2.342 4.308 6.911 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.957 4.971 7.057 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -3.334 2.021 7.452 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -3.325 3.183 8.764 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -5.444 2.051 8.611 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -5.646 3.704 8.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -5.655 2.579 7.011 1.00 10.00 H new ATOM 523 N PHE A 444 -3.285 6.641 1.935 1.00 10.00 N ATOM 524 CA PHE A 444 -2.688 7.671 1.106 1.00 10.00 C ATOM 525 C PHE A 444 -3.681 8.802 0.939 1.00 10.00 C ATOM 526 O PHE A 444 -3.306 9.970 0.837 1.00 10.00 O ATOM 527 CB PHE A 444 -2.262 7.089 -0.239 1.00 10.00 C ATOM 528 CG PHE A 444 -1.559 8.071 -1.127 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.240 9.143 -1.682 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.212 7.919 -1.407 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.588 10.047 -2.500 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.446 8.819 -2.224 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.243 9.884 -2.771 1.00 10.00 C ATOM 0 H PHE A 444 -3.458 5.757 1.456 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.791 8.063 1.584 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.606 6.237 -0.064 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -3.144 6.711 -0.757 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.292 9.274 -1.473 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.331 7.088 -0.982 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.129 10.879 -2.926 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.497 8.690 -2.434 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.269 10.588 -3.410 1.00 10.00 H new ATOM 543 N MET A 445 -4.960 8.448 0.976 1.00 10.00 N ATOM 544 CA MET A 445 -6.014 9.436 0.897 1.00 10.00 C ATOM 545 C MET A 445 -6.159 10.084 2.270 1.00 10.00 C ATOM 546 O MET A 445 -6.566 11.239 2.399 1.00 10.00 O ATOM 547 CB MET A 445 -7.333 8.794 0.464 1.00 10.00 C ATOM 548 CG MET A 445 -7.563 8.826 -1.038 1.00 10.00 C ATOM 549 SD MET A 445 -9.307 8.958 -1.472 1.00 10.00 S ATOM 550 CE MET A 445 -9.497 10.736 -1.576 1.00 10.00 C ATOM 0 H MET A 445 -5.286 7.485 1.060 1.00 10.00 H new ATOM 0 HA MET A 445 -5.760 10.189 0.151 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.352 7.758 0.804 1.00 10.00 H new ATOM 0 HB3 MET A 445 -8.157 9.307 0.960 1.00 10.00 H new ATOM 0 HG2 MET A 445 -7.021 9.669 -1.466 1.00 10.00 H new ATOM 0 HG3 MET A 445 -7.149 7.922 -1.484 1.00 10.00 H new ATOM 0 HE1 MET A 445 -10.527 10.977 -1.838 1.00 10.00 H new ATOM 0 HE2 MET A 445 -9.252 11.185 -0.613 1.00 10.00 H new ATOM 0 HE3 MET A 445 -8.827 11.129 -2.340 1.00 10.00 H new ATOM 560 N GLN A 446 -5.787 9.312 3.293 1.00 10.00 N ATOM 561 CA GLN A 446 -5.823 9.755 4.678 1.00 10.00 C ATOM 562 C GLN A 446 -4.698 10.743 4.938 1.00 10.00 C ATOM 563 O GLN A 446 -4.915 11.852 5.427 1.00 10.00 O ATOM 564 CB GLN A 446 -5.647 8.546 5.603 1.00 10.00 C ATOM 565 CG GLN A 446 -6.109 8.795 7.029 1.00 10.00 C ATOM 566 CD GLN A 446 -6.869 7.618 7.611 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.590 7.176 8.725 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.835 7.102 6.856 1.00 10.00 N ATOM 0 H GLN A 446 -5.451 8.356 3.177 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.781 10.238 4.871 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.202 7.702 5.193 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.595 8.260 5.616 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.243 9.009 7.655 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.745 9.680 7.051 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -8.033 7.500 5.938 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.378 6.308 7.195 1.00 10.00 H new ATOM 577 N HIS A 447 -3.492 10.308 4.607 1.00 10.00 N ATOM 578 CA HIS A 447 -2.294 11.107 4.791 1.00 10.00 C ATOM 579 C HIS A 447 -1.902 11.792 3.484 1.00 10.00 C ATOM 580 O HIS A 447 -1.839 11.147 2.438 1.00 10.00 O ATOM 581 CB HIS A 447 -1.153 10.206 5.277 1.00 10.00 C ATOM 582 CG HIS A 447 -1.608 9.122 6.213 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.838 9.343 7.555 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.887 7.806 5.999 1.00 10.00 C ATOM 585 CE1 HIS A 447 -2.237 8.219 8.123 1.00 10.00 C ATOM 586 NE2 HIS A 447 -2.275 7.276 7.203 1.00 10.00 N ATOM 0 H HIS A 447 -3.318 9.388 4.202 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.491 11.878 5.536 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.666 9.751 4.414 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.404 10.819 5.779 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.719 10.235 8.034 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.816 7.279 5.059 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.490 8.094 9.166 1.00 10.00 H new ATOM 595 N PRO A 448 -1.632 13.111 3.517 1.00 10.00 N ATOM 596 CA PRO A 448 -1.246 13.863 2.321 1.00 10.00 C ATOM 597 C PRO A 448 -0.217 13.114 1.482 1.00 10.00 C ATOM 598 O PRO A 448 0.379 12.145 1.947 1.00 10.00 O ATOM 599 CB PRO A 448 -0.644 15.143 2.899 1.00 10.00 C ATOM 600 CG PRO A 448 -1.364 15.344 4.188 1.00 10.00 C ATOM 601 CD PRO A 448 -1.676 13.969 4.719 1.00 10.00 C ATOM 0 HA PRO A 448 -2.086 14.037 1.649 1.00 10.00 H new ATOM 0 HB2 PRO A 448 0.430 15.041 3.056 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -0.789 15.989 2.227 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -0.749 15.903 4.894 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -2.278 15.919 4.037 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -0.946 13.652 5.464 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -2.655 13.937 5.198 1.00 10.00 H new ATOM 609 N LYS A 449 -0.016 13.565 0.245 1.00 10.00 N ATOM 610 CA LYS A 449 0.943 12.928 -0.660 1.00 10.00 C ATOM 611 C LYS A 449 2.250 12.609 0.063 1.00 10.00 C ATOM 612 O LYS A 449 3.135 13.459 0.171 1.00 10.00 O ATOM 613 CB LYS A 449 1.219 13.833 -1.862 1.00 10.00 C ATOM 614 CG LYS A 449 1.730 15.213 -1.479 1.00 10.00 C ATOM 615 CD LYS A 449 3.201 15.380 -1.824 1.00 10.00 C ATOM 616 CE LYS A 449 3.898 16.319 -0.850 1.00 10.00 C ATOM 617 NZ LYS A 449 4.639 15.574 0.205 1.00 10.00 N ATOM 0 H LYS A 449 -0.503 14.368 -0.154 1.00 10.00 H new ATOM 0 HA LYS A 449 0.507 11.992 -1.010 1.00 10.00 H new ATOM 0 HB2 LYS A 449 1.951 13.350 -2.509 1.00 10.00 H new ATOM 0 HB3 LYS A 449 0.303 13.942 -2.442 1.00 10.00 H new ATOM 0 HG2 LYS A 449 1.146 15.974 -1.996 1.00 10.00 H new ATOM 0 HG3 LYS A 449 1.586 15.371 -0.410 1.00 10.00 H new ATOM 0 HD2 LYS A 449 3.692 14.407 -1.808 1.00 10.00 H new ATOM 0 HD3 LYS A 449 3.296 15.769 -2.838 1.00 10.00 H new ATOM 0 HE2 LYS A 449 4.590 16.960 -1.396 1.00 10.00 H new ATOM 0 HE3 LYS A 449 3.160 16.971 -0.383 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 4.720 16.166 1.056 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 4.126 14.700 0.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 5.590 15.335 -0.142 1.00 10.00 H new ATOM 631 N ASN A 450 2.360 11.381 0.564 1.00 10.00 N ATOM 632 CA ASN A 450 3.554 10.958 1.285 1.00 10.00 C ATOM 633 C ASN A 450 4.129 9.670 0.709 1.00 10.00 C ATOM 634 O ASN A 450 5.281 9.632 0.278 1.00 10.00 O ATOM 635 CB ASN A 450 3.245 10.775 2.776 1.00 10.00 C ATOM 636 CG ASN A 450 1.994 9.952 3.025 1.00 10.00 C ATOM 637 OD1 ASN A 450 1.135 9.828 2.152 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.884 9.378 4.219 1.00 10.00 N ATOM 0 H ASN A 450 1.638 10.665 0.484 1.00 10.00 H new ATOM 0 HA ASN A 450 4.302 11.742 1.169 1.00 10.00 H new ATOM 0 HB2 ASN A 450 4.094 10.292 3.261 1.00 10.00 H new ATOM 0 HB3 ASN A 450 3.128 11.754 3.240 1.00 10.00 H new ATOM 0 HD21 ASN A 450 1.065 8.810 4.439 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.618 9.505 4.916 1.00 10.00 H new ATOM 645 N PHE A 451 3.329 8.609 0.722 1.00 10.00 N ATOM 646 CA PHE A 451 3.766 7.310 0.219 1.00 10.00 C ATOM 647 C PHE A 451 4.761 6.662 1.184 1.00 10.00 C ATOM 648 O PHE A 451 5.217 5.542 0.956 1.00 10.00 O ATOM 649 CB PHE A 451 4.385 7.455 -1.179 1.00 10.00 C ATOM 650 CG PHE A 451 3.722 6.621 -2.247 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.411 6.192 -2.107 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.412 6.277 -3.399 1.00 10.00 C ATOM 653 CE1 PHE A 451 1.802 5.438 -3.090 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.809 5.520 -4.387 1.00 10.00 C ATOM 655 CZ PHE A 451 2.502 5.100 -4.232 1.00 10.00 C ATOM 0 H PHE A 451 2.372 8.623 1.076 1.00 10.00 H new ATOM 0 HA PHE A 451 2.893 6.661 0.144 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.341 8.503 -1.475 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.439 7.183 -1.126 1.00 10.00 H new ATOM 0 HD1 PHE A 451 1.858 6.451 -1.216 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.433 6.604 -3.527 1.00 10.00 H new ATOM 0 HE1 PHE A 451 0.780 5.113 -2.966 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.359 5.258 -5.279 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.029 4.509 -5.002 1.00 10.00 H new ATOM 665 N GLY A 452 5.074 7.363 2.274 1.00 10.00 N ATOM 666 CA GLY A 452 5.986 6.834 3.265 1.00 10.00 C ATOM 667 C GLY A 452 5.244 6.088 4.352 1.00 10.00 C ATOM 668 O GLY A 452 5.632 4.984 4.732 1.00 10.00 O ATOM 0 H GLY A 452 4.708 8.291 2.484 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.700 6.165 2.785 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.559 7.649 3.707 1.00 10.00 H new ATOM 672 N LEU A 453 4.157 6.685 4.839 1.00 10.00 N ATOM 673 CA LEU A 453 3.346 6.055 5.873 1.00 10.00 C ATOM 674 C LEU A 453 2.756 4.764 5.344 1.00 10.00 C ATOM 675 O LEU A 453 2.936 3.695 5.928 1.00 10.00 O ATOM 676 CB LEU A 453 2.216 6.976 6.334 1.00 10.00 C ATOM 677 CG LEU A 453 1.173 6.306 7.233 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.552 7.321 8.175 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.102 5.611 6.395 1.00 10.00 C ATOM 0 H LEU A 453 3.821 7.599 4.535 1.00 10.00 H new ATOM 0 HA LEU A 453 3.991 5.849 6.727 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.649 7.821 6.870 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.713 7.380 5.455 1.00 10.00 H new ATOM 0 HG LEU A 453 1.674 5.547 7.834 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.187 6.827 8.806 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.329 7.760 8.801 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.067 8.106 7.595 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.628 5.142 7.054 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.398 6.345 5.763 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.567 4.850 5.769 1.00 10.00 H new ATOM 691 N ILE A 454 2.054 4.868 4.223 1.00 10.00 N ATOM 692 CA ILE A 454 1.446 3.710 3.603 1.00 10.00 C ATOM 693 C ILE A 454 2.497 2.640 3.371 1.00 10.00 C ATOM 694 O ILE A 454 2.341 1.499 3.795 1.00 10.00 O ATOM 695 CB ILE A 454 0.749 4.105 2.291 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.599 4.713 2.627 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.593 2.917 1.349 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.553 6.222 2.654 1.00 10.00 C ATOM 0 H ILE A 454 1.895 5.746 3.728 1.00 10.00 H new ATOM 0 HA ILE A 454 0.685 3.304 4.270 1.00 10.00 H new ATOM 0 HB ILE A 454 1.366 4.834 1.767 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.336 4.387 1.893 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.930 4.344 3.598 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.096 3.241 0.435 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.576 2.515 1.105 1.00 10.00 H new ATOM 0 HG23 ILE A 454 -0.005 2.145 1.833 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.541 6.612 2.899 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.164 6.551 3.407 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.248 6.594 1.676 1.00 10.00 H new ATOM 710 N ALA A 455 3.593 3.039 2.743 1.00 10.00 N ATOM 711 CA ALA A 455 4.702 2.132 2.495 1.00 10.00 C ATOM 712 C ALA A 455 5.363 1.719 3.809 1.00 10.00 C ATOM 713 O ALA A 455 6.314 0.937 3.816 1.00 10.00 O ATOM 714 CB ALA A 455 5.722 2.787 1.576 1.00 10.00 C ATOM 0 H ALA A 455 3.738 3.987 2.395 1.00 10.00 H new ATOM 0 HA ALA A 455 4.314 1.237 2.008 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.547 2.097 1.398 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.248 3.038 0.627 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.102 3.695 2.043 1.00 10.00 H new ATOM 720 N SER A 456 4.856 2.252 4.924 1.00 10.00 N ATOM 721 CA SER A 456 5.402 1.939 6.237 1.00 10.00 C ATOM 722 C SER A 456 4.537 0.916 6.966 1.00 10.00 C ATOM 723 O SER A 456 5.054 0.082 7.710 1.00 10.00 O ATOM 724 CB SER A 456 5.532 3.211 7.080 1.00 10.00 C ATOM 725 OG SER A 456 6.889 3.595 7.216 1.00 10.00 O ATOM 0 H SER A 456 4.069 2.901 4.938 1.00 10.00 H new ATOM 0 HA SER A 456 6.392 1.506 6.091 1.00 10.00 H new ATOM 0 HB2 SER A 456 4.967 4.019 6.615 1.00 10.00 H new ATOM 0 HB3 SER A 456 5.097 3.044 8.066 1.00 10.00 H new ATOM 0 HG SER A 456 6.946 4.410 7.757 1.00 10.00 H new ATOM 731 N PHE A 457 3.222 0.970 6.753 1.00 10.00 N ATOM 732 CA PHE A 457 2.326 0.025 7.409 1.00 10.00 C ATOM 733 C PHE A 457 2.275 -1.291 6.634 1.00 10.00 C ATOM 734 O PHE A 457 2.021 -2.350 7.209 1.00 10.00 O ATOM 735 CB PHE A 457 0.925 0.631 7.595 1.00 10.00 C ATOM 736 CG PHE A 457 0.036 0.547 6.386 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.508 -0.666 5.991 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.262 1.685 5.651 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.332 -0.744 4.887 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.083 1.612 4.545 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.619 0.400 4.164 1.00 10.00 C ATOM 0 H PHE A 457 2.762 1.646 6.143 1.00 10.00 H new ATOM 0 HA PHE A 457 2.718 -0.190 8.403 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.433 0.125 8.426 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.032 1.678 7.878 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.284 -1.560 6.554 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.153 2.637 5.947 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.751 -1.694 4.589 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.306 2.504 3.978 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.264 0.344 3.300 1.00 10.00 H new ATOM 751 N LEU A 458 2.551 -1.222 5.332 1.00 10.00 N ATOM 752 CA LEU A 458 2.569 -2.414 4.491 1.00 10.00 C ATOM 753 C LEU A 458 3.975 -2.628 3.931 1.00 10.00 C ATOM 754 O LEU A 458 4.152 -2.924 2.754 1.00 10.00 O ATOM 755 CB LEU A 458 1.542 -2.309 3.355 1.00 10.00 C ATOM 756 CG LEU A 458 1.333 -0.910 2.767 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.566 -0.459 1.999 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.110 -0.893 1.858 1.00 10.00 C ATOM 0 H LEU A 458 2.764 -0.355 4.840 1.00 10.00 H new ATOM 0 HA LEU A 458 2.294 -3.274 5.102 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.849 -2.977 2.551 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.583 -2.674 3.724 1.00 10.00 H new ATOM 0 HG LEU A 458 1.167 -0.215 3.590 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.396 0.537 1.590 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.424 -0.434 2.671 1.00 10.00 H new ATOM 0 HD13 LEU A 458 2.763 -1.157 1.185 1.00 10.00 H new ATOM 0 HD21 LEU A 458 -0.025 0.108 1.448 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.253 -1.603 1.043 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.774 -1.172 2.432 1.00 10.00 H new ATOM 770 N GLU A 459 4.962 -2.452 4.810 1.00 10.00 N ATOM 771 CA GLU A 459 6.391 -2.588 4.489 1.00 10.00 C ATOM 772 C GLU A 459 6.683 -3.379 3.207 1.00 10.00 C ATOM 773 O GLU A 459 7.459 -2.926 2.365 1.00 10.00 O ATOM 774 CB GLU A 459 7.121 -3.244 5.663 1.00 10.00 C ATOM 775 CG GLU A 459 8.591 -2.872 5.749 1.00 10.00 C ATOM 776 CD GLU A 459 9.190 -3.177 7.109 1.00 10.00 C ATOM 777 OE1 GLU A 459 9.440 -4.367 7.394 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.409 -2.225 7.887 1.00 10.00 O ATOM 0 H GLU A 459 4.792 -2.206 5.785 1.00 10.00 H new ATOM 0 HA GLU A 459 6.753 -1.575 4.311 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.628 -2.959 6.592 1.00 10.00 H new ATOM 0 HB3 GLU A 459 7.033 -4.327 5.575 1.00 10.00 H new ATOM 0 HG2 GLU A 459 9.145 -3.414 4.982 1.00 10.00 H new ATOM 0 HG3 GLU A 459 8.706 -1.809 5.535 1.00 10.00 H new ATOM 785 N ARG A 460 6.090 -4.563 3.067 1.00 10.00 N ATOM 786 CA ARG A 460 6.332 -5.398 1.888 1.00 10.00 C ATOM 787 C ARG A 460 6.207 -4.590 0.598 1.00 10.00 C ATOM 788 O ARG A 460 6.835 -4.913 -0.410 1.00 10.00 O ATOM 789 CB ARG A 460 5.381 -6.596 1.861 1.00 10.00 C ATOM 790 CG ARG A 460 5.387 -7.407 3.146 1.00 10.00 C ATOM 791 CD ARG A 460 6.198 -8.685 2.997 1.00 10.00 C ATOM 792 NE ARG A 460 6.940 -9.006 4.215 1.00 10.00 N ATOM 793 CZ ARG A 460 8.110 -8.458 4.538 1.00 10.00 C ATOM 794 NH1 ARG A 460 8.675 -7.560 3.740 1.00 10.00 N ATOM 795 NH2 ARG A 460 8.716 -8.809 5.664 1.00 10.00 N ATOM 0 H ARG A 460 5.444 -4.965 3.747 1.00 10.00 H new ATOM 0 HA ARG A 460 7.354 -5.770 1.956 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.368 -6.241 1.670 1.00 10.00 H new ATOM 0 HB3 ARG A 460 5.653 -7.246 1.030 1.00 10.00 H new ATOM 0 HG2 ARG A 460 5.801 -6.805 3.955 1.00 10.00 H new ATOM 0 HG3 ARG A 460 4.363 -7.655 3.425 1.00 10.00 H new ATOM 0 HD2 ARG A 460 5.531 -9.511 2.750 1.00 10.00 H new ATOM 0 HD3 ARG A 460 6.894 -8.578 2.165 1.00 10.00 H new ATOM 0 HE ARG A 460 6.538 -9.690 4.855 1.00 10.00 H new ATOM 0 HH11 ARG A 460 8.213 -7.286 2.873 1.00 10.00 H new ATOM 0 HH12 ARG A 460 9.571 -7.144 3.994 1.00 10.00 H new ATOM 0 HH21 ARG A 460 8.286 -9.498 6.281 1.00 10.00 H new ATOM 0 HH22 ARG A 460 9.612 -8.390 5.913 1.00 10.00 H new ATOM 809 N LYS A 461 5.405 -3.530 0.640 1.00 10.00 N ATOM 810 CA LYS A 461 5.215 -2.670 -0.522 1.00 10.00 C ATOM 811 C LYS A 461 5.728 -1.267 -0.218 1.00 10.00 C ATOM 812 O LYS A 461 4.948 -0.337 -0.016 1.00 10.00 O ATOM 813 CB LYS A 461 3.739 -2.617 -0.948 1.00 10.00 C ATOM 814 CG LYS A 461 2.754 -3.163 0.082 1.00 10.00 C ATOM 815 CD LYS A 461 2.857 -4.673 0.255 1.00 10.00 C ATOM 816 CE LYS A 461 2.834 -5.404 -1.074 1.00 10.00 C ATOM 817 NZ LYS A 461 1.515 -5.275 -1.751 1.00 10.00 N ATOM 0 H LYS A 461 4.877 -3.247 1.466 1.00 10.00 H new ATOM 0 HA LYS A 461 5.784 -3.091 -1.351 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.476 -1.582 -1.168 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.623 -3.179 -1.874 1.00 10.00 H new ATOM 0 HG2 LYS A 461 2.934 -2.679 1.042 1.00 10.00 H new ATOM 0 HG3 LYS A 461 1.739 -2.905 -0.220 1.00 10.00 H new ATOM 0 HD2 LYS A 461 3.778 -4.914 0.785 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.032 -5.023 0.875 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.616 -5.006 -1.721 1.00 10.00 H new ATOM 0 HE3 LYS A 461 3.059 -6.458 -0.913 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 1.134 -6.222 -1.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 0.856 -4.760 -1.132 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.632 -4.753 -2.643 1.00 10.00 H new ATOM 831 N THR A 462 7.049 -1.132 -0.172 1.00 10.00 N ATOM 832 CA THR A 462 7.689 0.148 0.123 1.00 10.00 C ATOM 833 C THR A 462 7.149 1.264 -0.768 1.00 10.00 C ATOM 834 O THR A 462 6.288 1.036 -1.617 1.00 10.00 O ATOM 835 CB THR A 462 9.204 0.033 -0.052 1.00 10.00 C ATOM 836 OG1 THR A 462 9.523 -0.500 -1.326 1.00 10.00 O ATOM 837 CG2 THR A 462 9.862 -0.844 0.991 1.00 10.00 C ATOM 0 H THR A 462 7.702 -1.898 -0.336 1.00 10.00 H new ATOM 0 HA THR A 462 7.460 0.401 1.158 1.00 10.00 H new ATOM 0 HB THR A 462 9.585 1.048 0.058 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.496 -0.564 -1.419 1.00 10.00 H new ATOM 0 HG21 THR A 462 10.936 -0.883 0.809 1.00 10.00 H new ATOM 0 HG22 THR A 462 9.677 -0.431 1.983 1.00 10.00 H new ATOM 0 HG23 THR A 462 9.448 -1.851 0.934 1.00 10.00 H new ATOM 845 N VAL A 463 7.666 2.474 -0.563 1.00 10.00 N ATOM 846 CA VAL A 463 7.244 3.633 -1.340 1.00 10.00 C ATOM 847 C VAL A 463 7.369 3.365 -2.838 1.00 10.00 C ATOM 848 O VAL A 463 6.398 3.496 -3.585 1.00 10.00 O ATOM 849 CB VAL A 463 8.074 4.882 -0.979 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.572 6.101 -1.737 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.040 5.130 0.524 1.00 10.00 C ATOM 0 H VAL A 463 8.380 2.675 0.137 1.00 10.00 H new ATOM 0 HA VAL A 463 6.198 3.818 -1.094 1.00 10.00 H new ATOM 0 HB VAL A 463 9.108 4.702 -1.274 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.172 6.970 -1.467 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.655 5.922 -2.809 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.529 6.286 -1.479 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.631 6.015 0.760 1.00 10.00 H new ATOM 0 HG22 VAL A 463 7.010 5.286 0.844 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.455 4.267 1.045 1.00 10.00 H new ATOM 861 N ALA A 464 8.567 2.985 -3.269 1.00 10.00 N ATOM 862 CA ALA A 464 8.813 2.695 -4.676 1.00 10.00 C ATOM 863 C ALA A 464 7.965 1.518 -5.145 1.00 10.00 C ATOM 864 O ALA A 464 7.592 1.436 -6.316 1.00 10.00 O ATOM 865 CB ALA A 464 10.290 2.410 -4.905 1.00 10.00 C ATOM 0 H ALA A 464 9.381 2.871 -2.665 1.00 10.00 H new ATOM 0 HA ALA A 464 8.530 3.571 -5.260 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.460 2.195 -5.960 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.878 3.280 -4.613 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.592 1.551 -4.306 1.00 10.00 H new ATOM 871 N GLU A 465 7.664 0.609 -4.224 1.00 10.00 N ATOM 872 CA GLU A 465 6.857 -0.564 -4.541 1.00 10.00 C ATOM 873 C GLU A 465 5.373 -0.209 -4.605 1.00 10.00 C ATOM 874 O GLU A 465 4.582 -0.925 -5.219 1.00 10.00 O ATOM 875 CB GLU A 465 7.086 -1.661 -3.498 1.00 10.00 C ATOM 876 CG GLU A 465 6.595 -3.030 -3.939 1.00 10.00 C ATOM 877 CD GLU A 465 7.488 -3.658 -4.991 1.00 10.00 C ATOM 878 OE1 GLU A 465 8.220 -2.910 -5.673 1.00 10.00 O ATOM 879 OE2 GLU A 465 7.457 -4.899 -5.133 1.00 10.00 O ATOM 0 H GLU A 465 7.967 0.662 -3.251 1.00 10.00 H new ATOM 0 HA GLU A 465 7.164 -0.930 -5.521 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.151 -1.721 -3.273 1.00 10.00 H new ATOM 0 HB3 GLU A 465 6.580 -1.383 -2.573 1.00 10.00 H new ATOM 0 HG2 GLU A 465 6.541 -3.689 -3.073 1.00 10.00 H new ATOM 0 HG3 GLU A 465 5.583 -2.939 -4.334 1.00 10.00 H new ATOM 886 N CYS A 466 5.001 0.900 -3.970 1.00 10.00 N ATOM 887 CA CYS A 466 3.613 1.344 -3.962 1.00 10.00 C ATOM 888 C CYS A 466 3.215 1.889 -5.328 1.00 10.00 C ATOM 889 O CYS A 466 2.059 1.782 -5.737 1.00 10.00 O ATOM 890 CB CYS A 466 3.398 2.411 -2.888 1.00 10.00 C ATOM 891 SG CYS A 466 3.330 1.761 -1.202 1.00 10.00 S ATOM 0 H CYS A 466 5.641 1.505 -3.456 1.00 10.00 H new ATOM 0 HA CYS A 466 2.983 0.485 -3.733 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.204 3.142 -2.951 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.469 2.941 -3.099 1.00 10.00 H new ATOM 0 HG CYS A 466 4.391 1.048 -0.969 1.00 10.00 H new ATOM 897 N VAL A 467 4.183 2.466 -6.037 1.00 10.00 N ATOM 898 CA VAL A 467 3.932 3.017 -7.364 1.00 10.00 C ATOM 899 C VAL A 467 3.273 1.980 -8.267 1.00 10.00 C ATOM 900 O VAL A 467 2.594 2.322 -9.232 1.00 10.00 O ATOM 901 CB VAL A 467 5.234 3.508 -8.029 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.958 4.049 -9.427 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.907 4.563 -7.165 1.00 10.00 C ATOM 0 H VAL A 467 5.146 2.563 -5.714 1.00 10.00 H new ATOM 0 HA VAL A 467 3.261 3.866 -7.234 1.00 10.00 H new ATOM 0 HB VAL A 467 5.911 2.659 -8.124 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.891 4.389 -9.876 1.00 10.00 H new ATOM 0 HG12 VAL A 467 4.525 3.261 -10.043 1.00 10.00 H new ATOM 0 HG13 VAL A 467 4.260 4.884 -9.363 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.824 4.899 -7.649 1.00 10.00 H new ATOM 0 HG22 VAL A 467 5.234 5.411 -7.035 1.00 10.00 H new ATOM 0 HG23 VAL A 467 6.146 4.137 -6.191 1.00 10.00 H new ATOM 913 N LEU A 468 3.477 0.707 -7.945 1.00 10.00 N ATOM 914 CA LEU A 468 2.900 -0.377 -8.727 1.00 10.00 C ATOM 915 C LEU A 468 1.398 -0.512 -8.478 1.00 10.00 C ATOM 916 O LEU A 468 0.741 -1.366 -9.070 1.00 10.00 O ATOM 917 CB LEU A 468 3.611 -1.692 -8.398 1.00 10.00 C ATOM 918 CG LEU A 468 4.503 -2.243 -9.512 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.669 -3.023 -8.925 1.00 10.00 C ATOM 920 CD2 LEU A 468 3.694 -3.119 -10.457 1.00 10.00 C ATOM 0 H LEU A 468 4.037 0.402 -7.149 1.00 10.00 H new ATOM 0 HA LEU A 468 3.041 -0.143 -9.782 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.219 -1.545 -7.506 1.00 10.00 H new ATOM 0 HB3 LEU A 468 2.859 -2.442 -8.151 1.00 10.00 H new ATOM 0 HG LEU A 468 4.904 -1.404 -10.080 1.00 10.00 H new ATOM 0 HD11 LEU A 468 6.293 -3.407 -9.732 1.00 10.00 H new ATOM 0 HD12 LEU A 468 6.263 -2.366 -8.289 1.00 10.00 H new ATOM 0 HD13 LEU A 468 5.289 -3.855 -8.333 1.00 10.00 H new ATOM 0 HD21 LEU A 468 4.344 -3.503 -11.243 1.00 10.00 H new ATOM 0 HD22 LEU A 468 3.265 -3.953 -9.902 1.00 10.00 H new ATOM 0 HD23 LEU A 468 2.893 -2.530 -10.904 1.00 10.00 H new ATOM 932 N TYR A 469 0.858 0.329 -7.598 1.00 10.00 N ATOM 933 CA TYR A 469 -0.563 0.294 -7.282 1.00 10.00 C ATOM 934 C TYR A 469 -1.261 1.576 -7.730 1.00 10.00 C ATOM 935 O TYR A 469 -2.474 1.589 -7.932 1.00 10.00 O ATOM 936 CB TYR A 469 -0.759 0.057 -5.772 1.00 10.00 C ATOM 937 CG TYR A 469 -1.371 1.210 -4.997 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.833 2.487 -5.062 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.479 1.012 -4.184 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.381 3.533 -4.346 1.00 10.00 C ATOM 941 CE2 TYR A 469 -3.032 2.047 -3.464 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.480 3.308 -3.548 1.00 10.00 C ATOM 943 OH TYR A 469 -3.025 4.346 -2.832 1.00 10.00 O ATOM 0 H TYR A 469 1.385 1.041 -7.093 1.00 10.00 H new ATOM 0 HA TYR A 469 -1.019 -0.532 -7.828 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.391 -0.821 -5.640 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.210 -0.179 -5.331 1.00 10.00 H new ATOM 0 HD1 TYR A 469 0.031 2.667 -5.685 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.916 0.027 -4.115 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.950 4.521 -4.412 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.894 1.872 -2.837 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.878 5.187 -3.312 1.00 10.00 H new ATOM 953 N TYR A 470 -0.495 2.658 -7.866 1.00 10.00 N ATOM 954 CA TYR A 470 -1.057 3.940 -8.266 1.00 10.00 C ATOM 955 C TYR A 470 -1.261 4.021 -9.776 1.00 10.00 C ATOM 956 O TYR A 470 -2.165 4.712 -10.243 1.00 10.00 O ATOM 957 CB TYR A 470 -0.164 5.089 -7.762 1.00 10.00 C ATOM 958 CG TYR A 470 0.552 5.862 -8.851 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.466 5.235 -9.685 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.314 7.217 -9.040 1.00 10.00 C ATOM 961 CE1 TYR A 470 2.123 5.933 -10.676 1.00 10.00 C ATOM 962 CE2 TYR A 470 0.967 7.924 -10.031 1.00 10.00 C ATOM 963 CZ TYR A 470 1.872 7.277 -10.847 1.00 10.00 C ATOM 964 OH TYR A 470 2.525 7.976 -11.835 1.00 10.00 O ATOM 0 H TYR A 470 0.512 2.669 -7.705 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.041 4.036 -7.808 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.778 5.782 -7.187 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.579 4.679 -7.078 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.666 4.182 -9.556 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -0.393 7.726 -8.402 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.832 5.428 -11.316 1.00 10.00 H new ATOM 0 HE2 TYR A 470 0.770 8.977 -10.166 1.00 10.00 H new ATOM 0 HH TYR A 470 2.233 8.911 -11.821 1.00 10.00 H new ATOM 974 N TYR A 471 -0.426 3.320 -10.541 1.00 10.00 N ATOM 975 CA TYR A 471 -0.555 3.346 -11.993 1.00 10.00 C ATOM 976 C TYR A 471 -1.644 2.384 -12.471 1.00 10.00 C ATOM 977 O TYR A 471 -1.967 2.343 -13.657 1.00 10.00 O ATOM 978 CB TYR A 471 0.795 3.051 -12.670 1.00 10.00 C ATOM 979 CG TYR A 471 1.109 1.582 -12.860 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.497 0.846 -13.868 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.022 0.935 -12.036 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.785 -0.493 -14.048 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.316 -0.404 -12.211 1.00 10.00 C ATOM 984 CZ TYR A 471 1.695 -1.113 -13.217 1.00 10.00 C ATOM 985 OH TYR A 471 1.984 -2.447 -13.394 1.00 10.00 O ATOM 0 H TYR A 471 0.333 2.738 -10.187 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.859 4.351 -12.285 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.810 3.539 -13.644 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.589 3.503 -12.075 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.215 1.329 -14.521 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.510 1.487 -11.246 1.00 10.00 H new ATOM 0 HE1 TYR A 471 0.300 -1.051 -14.835 1.00 10.00 H new ATOM 0 HE2 TYR A 471 3.029 -0.892 -11.563 1.00 10.00 H new ATOM 0 HH TYR A 471 2.906 -2.622 -13.113 1.00 10.00 H new