USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 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 Single : A 421 LYS NZ :NH3+ -109:sc= -0.542 (180deg=-1.6!) USER MOD Single : A 423 TYR OH : rot -55:sc= 0.0214 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -2.05! C(o=-2!,f=-1.5!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= 0 X(o=0,f=-0.061) 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= -0.209 X(o=-0.21,f=0) USER MOD Single : A 437 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 439 THR OG1 : rot 150:sc= -0.136 USER MOD Single : A 443 LYS NZ :NH3+ -159:sc= -0.0327 (180deg=-0.221) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.1) USER MOD Single : A 447 HIS : no HD1:sc= -13.9! C(o=-14!,f=-13!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -6.72 K(o=-6.7,f=-15!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -174:sc= -1.16 (180deg=-1.32) USER MOD Single : A 462 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 466 CYS SG : rot -109:sc= -0.249 USER MOD Single : A 469 TYR OH : rot 60:sc= -4.01! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.255 -4.698 8.890 1.00 10.00 N ATOM 112 CA LYS A 421 -1.140 -4.715 7.730 1.00 10.00 C ATOM 113 C LYS A 421 -0.332 -4.903 6.460 1.00 10.00 C ATOM 114 O LYS A 421 0.199 -3.948 5.894 1.00 10.00 O ATOM 115 CB LYS A 421 -1.965 -3.436 7.660 1.00 10.00 C ATOM 116 CG LYS A 421 -2.712 -3.262 6.349 1.00 10.00 C ATOM 117 CD LYS A 421 -4.130 -3.799 6.431 1.00 10.00 C ATOM 118 CE LYS A 421 -4.938 -3.091 7.506 1.00 10.00 C ATOM 119 NZ LYS A 421 -5.060 -3.913 8.742 1.00 10.00 N ATOM 0 HA LYS A 421 -1.829 -5.553 7.832 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.683 -3.432 8.480 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.306 -2.581 7.809 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -2.739 -2.205 6.084 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -2.174 -3.777 5.553 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.622 -3.676 5.466 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -4.103 -4.868 6.641 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.465 -2.140 7.748 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -5.932 -2.864 7.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -6.037 -4.256 8.835 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -4.412 -4.724 8.685 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -4.816 -3.333 9.570 1.00 10.00 H new ATOM 133 N VAL A 422 -0.228 -6.152 6.043 1.00 10.00 N ATOM 134 CA VAL A 422 0.535 -6.513 4.868 1.00 10.00 C ATOM 135 C VAL A 422 0.493 -8.021 4.678 1.00 10.00 C ATOM 136 O VAL A 422 0.306 -8.527 3.572 1.00 10.00 O ATOM 137 CB VAL A 422 1.987 -6.031 5.027 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.825 -7.025 5.823 1.00 10.00 C ATOM 139 CG2 VAL A 422 2.610 -5.745 3.672 1.00 10.00 C ATOM 0 H VAL A 422 -0.671 -6.943 6.511 1.00 10.00 H new ATOM 0 HA VAL A 422 0.102 -6.036 3.989 1.00 10.00 H new ATOM 0 HB VAL A 422 1.968 -5.100 5.594 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.844 -6.650 5.914 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.394 -7.151 6.816 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.836 -7.986 5.308 1.00 10.00 H new ATOM 0 HG21 VAL A 422 3.637 -5.405 3.808 1.00 10.00 H new ATOM 0 HG22 VAL A 422 2.605 -6.654 3.070 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.036 -4.970 3.164 1.00 10.00 H new ATOM 149 N TYR A 423 0.645 -8.723 5.793 1.00 10.00 N ATOM 150 CA TYR A 423 0.604 -10.180 5.822 1.00 10.00 C ATOM 151 C TYR A 423 -0.585 -10.712 5.019 1.00 10.00 C ATOM 152 O TYR A 423 -0.564 -11.851 4.552 1.00 10.00 O ATOM 153 CB TYR A 423 0.532 -10.695 7.276 1.00 10.00 C ATOM 154 CG TYR A 423 0.012 -9.694 8.294 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.892 -8.701 7.942 1.00 10.00 C ATOM 156 CD2 TYR A 423 0.445 -9.738 9.613 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.344 -7.787 8.858 1.00 10.00 C ATOM 158 CE2 TYR A 423 -0.008 -8.824 10.544 1.00 10.00 C ATOM 159 CZ TYR A 423 -0.900 -7.847 10.161 1.00 10.00 C ATOM 160 OH TYR A 423 -1.357 -6.936 11.084 1.00 10.00 O ATOM 0 H TYR A 423 0.801 -8.297 6.707 1.00 10.00 H new ATOM 0 HA TYR A 423 1.522 -10.547 5.364 1.00 10.00 H new ATOM 0 HB2 TYR A 423 -0.107 -11.578 7.300 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.529 -11.014 7.581 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -1.247 -8.647 6.923 1.00 10.00 H new ATOM 0 HD2 TYR A 423 1.148 -10.500 9.916 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -2.046 -7.022 8.559 1.00 10.00 H new ATOM 0 HE2 TYR A 423 0.335 -8.875 11.567 1.00 10.00 H new ATOM 0 HH TYR A 423 -1.190 -6.027 10.757 1.00 10.00 H new ATOM 170 N LYS A 424 -1.615 -9.882 4.850 1.00 10.00 N ATOM 171 CA LYS A 424 -2.793 -10.278 4.090 1.00 10.00 C ATOM 172 C LYS A 424 -2.710 -9.744 2.664 1.00 10.00 C ATOM 173 O LYS A 424 -3.292 -10.312 1.740 1.00 10.00 O ATOM 174 CB LYS A 424 -4.064 -9.764 4.770 1.00 10.00 C ATOM 175 CG LYS A 424 -4.362 -10.443 6.096 1.00 10.00 C ATOM 176 CD LYS A 424 -5.848 -10.417 6.414 1.00 10.00 C ATOM 177 CE LYS A 424 -6.280 -11.668 7.161 1.00 10.00 C ATOM 178 NZ LYS A 424 -6.840 -12.698 6.243 1.00 10.00 N ATOM 0 H LYS A 424 -1.654 -8.936 5.229 1.00 10.00 H new ATOM 0 HA LYS A 424 -2.830 -11.367 4.055 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.969 -8.691 4.934 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -4.910 -9.910 4.098 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -4.014 -11.475 6.064 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.810 -9.945 6.893 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -6.077 -9.536 7.014 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -6.418 -10.330 5.489 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -5.426 -12.084 7.696 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -7.027 -11.404 7.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -7.123 -13.535 6.792 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -7.670 -12.310 5.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -6.119 -12.969 5.544 1.00 10.00 H new ATOM 192 N ASP A 425 -1.981 -8.645 2.497 1.00 10.00 N ATOM 193 CA ASP A 425 -1.812 -8.023 1.189 1.00 10.00 C ATOM 194 C ASP A 425 -0.433 -8.322 0.606 1.00 10.00 C ATOM 195 O ASP A 425 0.075 -7.567 -0.222 1.00 10.00 O ATOM 196 CB ASP A 425 -2.016 -6.511 1.297 1.00 10.00 C ATOM 197 CG ASP A 425 -3.483 -6.126 1.295 1.00 10.00 C ATOM 198 OD1 ASP A 425 -4.276 -6.811 0.616 1.00 10.00 O ATOM 199 OD2 ASP A 425 -3.838 -5.139 1.973 1.00 10.00 O ATOM 0 H ASP A 425 -1.496 -8.165 3.255 1.00 10.00 H new ATOM 0 HA ASP A 425 -2.561 -8.443 0.518 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -1.549 -6.148 2.213 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -1.512 -6.018 0.465 1.00 10.00 H new ATOM 204 N ARG A 426 0.166 -9.431 1.032 1.00 10.00 N ATOM 205 CA ARG A 426 1.482 -9.823 0.535 1.00 10.00 C ATOM 206 C ARG A 426 1.413 -10.178 -0.945 1.00 10.00 C ATOM 207 O ARG A 426 2.422 -10.141 -1.649 1.00 10.00 O ATOM 208 CB ARG A 426 2.029 -11.005 1.337 1.00 10.00 C ATOM 209 CG ARG A 426 3.484 -11.324 1.036 1.00 10.00 C ATOM 210 CD ARG A 426 3.872 -12.699 1.555 1.00 10.00 C ATOM 211 NE ARG A 426 4.849 -13.355 0.690 1.00 10.00 N ATOM 212 CZ ARG A 426 6.128 -12.996 0.610 1.00 10.00 C ATOM 213 NH1 ARG A 426 6.589 -11.988 1.340 1.00 10.00 N ATOM 214 NH2 ARG A 426 6.950 -13.647 -0.202 1.00 10.00 N ATOM 0 H ARG A 426 -0.236 -10.071 1.717 1.00 10.00 H new ATOM 0 HA ARG A 426 2.158 -8.977 0.658 1.00 10.00 H new ATOM 0 HB2 ARG A 426 1.925 -10.790 2.401 1.00 10.00 H new ATOM 0 HB3 ARG A 426 1.422 -11.886 1.129 1.00 10.00 H new ATOM 0 HG2 ARG A 426 3.652 -11.279 -0.040 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.125 -10.568 1.490 1.00 10.00 H new ATOM 0 HD2 ARG A 426 4.283 -12.604 2.560 1.00 10.00 H new ATOM 0 HD3 ARG A 426 2.981 -13.322 1.633 1.00 10.00 H new ATOM 0 HE ARG A 426 4.532 -14.134 0.113 1.00 10.00 H new ATOM 0 HH11 ARG A 426 5.962 -11.484 1.967 1.00 10.00 H new ATOM 0 HH12 ARG A 426 7.570 -11.718 1.274 1.00 10.00 H new ATOM 0 HH21 ARG A 426 6.602 -14.423 -0.765 1.00 10.00 H new ATOM 0 HH22 ARG A 426 7.930 -13.372 -0.263 1.00 10.00 H new ATOM 228 N GLN A 427 0.212 -10.496 -1.417 1.00 10.00 N ATOM 229 CA GLN A 427 0.009 -10.827 -2.822 1.00 10.00 C ATOM 230 C GLN A 427 -0.545 -9.616 -3.557 1.00 10.00 C ATOM 231 O GLN A 427 -1.247 -9.739 -4.560 1.00 10.00 O ATOM 232 CB GLN A 427 -0.928 -12.034 -2.983 1.00 10.00 C ATOM 233 CG GLN A 427 -1.791 -12.325 -1.761 1.00 10.00 C ATOM 234 CD GLN A 427 -0.997 -12.925 -0.614 1.00 10.00 C ATOM 235 OE1 GLN A 427 -0.333 -13.949 -0.773 1.00 10.00 O ATOM 236 NE2 GLN A 427 -1.064 -12.287 0.551 1.00 10.00 N ATOM 0 H GLN A 427 -0.634 -10.531 -0.848 1.00 10.00 H new ATOM 0 HA GLN A 427 0.971 -11.101 -3.255 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.579 -11.862 -3.840 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.329 -12.916 -3.209 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -2.264 -11.402 -1.427 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -2.592 -13.010 -2.041 1.00 10.00 H new ATOM 0 HE21 GLN A 427 -1.627 -11.441 0.637 1.00 10.00 H new ATOM 0 HE22 GLN A 427 -0.552 -12.644 1.358 1.00 10.00 H new ATOM 245 N VAL A 428 -0.203 -8.445 -3.038 1.00 10.00 N ATOM 246 CA VAL A 428 -0.629 -7.181 -3.611 1.00 10.00 C ATOM 247 C VAL A 428 0.529 -6.521 -4.340 1.00 10.00 C ATOM 248 O VAL A 428 0.332 -5.828 -5.338 1.00 10.00 O ATOM 249 CB VAL A 428 -1.159 -6.232 -2.525 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.553 -4.887 -3.117 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.332 -6.867 -1.795 1.00 10.00 C ATOM 0 H VAL A 428 0.379 -8.347 -2.206 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.435 -7.387 -4.316 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.359 -6.056 -1.806 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.924 -4.236 -2.326 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.683 -4.427 -3.587 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.334 -5.033 -3.863 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.697 -6.183 -1.029 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.132 -7.077 -2.505 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -2.009 -7.797 -1.327 1.00 10.00 H new ATOM 261 N MET A 429 1.742 -6.752 -3.844 1.00 10.00 N ATOM 262 CA MET A 429 2.938 -6.188 -4.465 1.00 10.00 C ATOM 263 C MET A 429 2.895 -6.373 -5.982 1.00 10.00 C ATOM 264 O MET A 429 3.488 -5.598 -6.731 1.00 10.00 O ATOM 265 CB MET A 429 4.197 -6.847 -3.897 1.00 10.00 C ATOM 266 CG MET A 429 4.131 -8.365 -3.869 1.00 10.00 C ATOM 267 SD MET A 429 5.021 -9.074 -2.470 1.00 10.00 S ATOM 268 CE MET A 429 5.789 -10.496 -3.243 1.00 10.00 C ATOM 0 H MET A 429 1.923 -7.323 -3.018 1.00 10.00 H new ATOM 0 HA MET A 429 2.965 -5.121 -4.242 1.00 10.00 H new ATOM 0 HB2 MET A 429 5.057 -6.540 -4.492 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.363 -6.480 -2.884 1.00 10.00 H new ATOM 0 HG2 MET A 429 3.088 -8.679 -3.828 1.00 10.00 H new ATOM 0 HG3 MET A 429 4.546 -8.760 -4.796 1.00 10.00 H new ATOM 0 HE1 MET A 429 6.377 -11.039 -2.503 1.00 10.00 H new ATOM 0 HE2 MET A 429 5.017 -11.152 -3.646 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.441 -10.163 -4.051 1.00 10.00 H new ATOM 278 N ASN A 430 2.181 -7.408 -6.424 1.00 10.00 N ATOM 279 CA ASN A 430 2.050 -7.701 -7.845 1.00 10.00 C ATOM 280 C ASN A 430 0.583 -7.850 -8.244 1.00 10.00 C ATOM 281 O ASN A 430 0.266 -8.511 -9.232 1.00 10.00 O ATOM 282 CB ASN A 430 2.813 -8.982 -8.183 1.00 10.00 C ATOM 283 CG ASN A 430 4.269 -8.720 -8.513 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.583 -7.945 -9.417 1.00 10.00 O ATOM 285 ND2 ASN A 430 5.168 -9.367 -7.780 1.00 10.00 N ATOM 0 H ASN A 430 1.684 -8.057 -5.814 1.00 10.00 H new ATOM 0 HA ASN A 430 2.472 -6.867 -8.405 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.753 -9.670 -7.340 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.334 -9.473 -9.030 1.00 10.00 H new ATOM 0 HD21 ASN A 430 6.163 -9.231 -7.956 1.00 10.00 H new ATOM 0 HD22 ASN A 430 4.863 -10.000 -7.041 1.00 10.00 H new ATOM 292 N MET A 431 -0.308 -7.228 -7.474 1.00 10.00 N ATOM 293 CA MET A 431 -1.742 -7.289 -7.751 1.00 10.00 C ATOM 294 C MET A 431 -2.549 -6.685 -6.610 1.00 10.00 C ATOM 295 O MET A 431 -2.990 -7.396 -5.708 1.00 10.00 O ATOM 296 CB MET A 431 -2.195 -8.733 -7.971 1.00 10.00 C ATOM 297 CG MET A 431 -2.398 -9.094 -9.434 1.00 10.00 C ATOM 298 SD MET A 431 -3.918 -10.022 -9.719 1.00 10.00 S ATOM 299 CE MET A 431 -3.516 -10.871 -11.244 1.00 10.00 C ATOM 0 H MET A 431 -0.062 -6.676 -6.653 1.00 10.00 H new ATOM 0 HA MET A 431 -1.919 -6.712 -8.659 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.455 -9.406 -7.539 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.128 -8.898 -7.432 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.418 -8.181 -10.030 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.548 -9.682 -9.780 1.00 10.00 H new ATOM 0 HE1 MET A 431 -4.361 -11.488 -11.551 1.00 10.00 H new ATOM 0 HE2 MET A 431 -3.300 -10.139 -12.022 1.00 10.00 H new ATOM 0 HE3 MET A 431 -2.642 -11.504 -11.089 1.00 10.00 H new ATOM 309 N TRP A 432 -2.769 -5.380 -6.667 1.00 10.00 N ATOM 310 CA TRP A 432 -3.553 -4.707 -5.644 1.00 10.00 C ATOM 311 C TRP A 432 -5.021 -4.709 -6.051 1.00 10.00 C ATOM 312 O TRP A 432 -5.454 -3.888 -6.860 1.00 10.00 O ATOM 313 CB TRP A 432 -3.080 -3.264 -5.411 1.00 10.00 C ATOM 314 CG TRP A 432 -1.616 -3.005 -5.653 1.00 10.00 C ATOM 315 CD1 TRP A 432 -0.919 -3.223 -6.801 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.672 -2.447 -4.722 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.377 -2.809 -6.652 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.558 -2.338 -5.390 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.746 -2.021 -3.397 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.699 -1.818 -4.782 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.385 -1.510 -2.790 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.593 -1.409 -3.484 1.00 10.00 C ATOM 0 H TRP A 432 -2.418 -4.770 -7.405 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.420 -5.250 -4.708 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.658 -2.604 -6.058 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.313 -2.987 -4.383 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.329 -3.660 -7.700 1.00 10.00 H new ATOM 0 HE1 TRP A 432 1.095 -2.848 -7.375 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.676 -2.089 -2.852 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.633 -1.741 -5.318 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.334 -1.183 -1.762 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.459 -1.000 -2.985 1.00 10.00 H new ATOM 333 N SER A 433 -5.777 -5.651 -5.501 1.00 10.00 N ATOM 334 CA SER A 433 -7.196 -5.778 -5.824 1.00 10.00 C ATOM 335 C SER A 433 -8.009 -4.637 -5.222 1.00 10.00 C ATOM 336 O SER A 433 -7.507 -3.863 -4.408 1.00 10.00 O ATOM 337 CB SER A 433 -7.738 -7.122 -5.335 1.00 10.00 C ATOM 338 OG SER A 433 -8.592 -7.711 -6.301 1.00 10.00 O ATOM 0 H SER A 433 -5.434 -6.338 -4.830 1.00 10.00 H new ATOM 0 HA SER A 433 -7.293 -5.728 -6.908 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.908 -7.795 -5.120 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.283 -6.980 -4.402 1.00 10.00 H new ATOM 0 HG SER A 433 -8.923 -8.570 -5.964 1.00 10.00 H new ATOM 344 N GLU A 434 -9.271 -4.540 -5.634 1.00 10.00 N ATOM 345 CA GLU A 434 -10.163 -3.495 -5.144 1.00 10.00 C ATOM 346 C GLU A 434 -10.231 -3.499 -3.620 1.00 10.00 C ATOM 347 O GLU A 434 -10.306 -2.444 -2.991 1.00 10.00 O ATOM 348 CB GLU A 434 -11.565 -3.680 -5.727 1.00 10.00 C ATOM 349 CG GLU A 434 -12.283 -2.371 -6.012 1.00 10.00 C ATOM 350 CD GLU A 434 -13.450 -2.542 -6.965 1.00 10.00 C ATOM 351 OE1 GLU A 434 -14.089 -3.614 -6.935 1.00 10.00 O ATOM 352 OE2 GLU A 434 -13.725 -1.602 -7.741 1.00 10.00 O ATOM 0 H GLU A 434 -9.699 -5.175 -6.308 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.763 -2.534 -5.467 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.492 -4.254 -6.651 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -12.163 -4.269 -5.032 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -12.643 -1.947 -5.075 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -11.576 -1.657 -6.434 1.00 10.00 H new ATOM 359 N GLN A 435 -10.204 -4.690 -3.033 1.00 10.00 N ATOM 360 CA GLN A 435 -10.261 -4.823 -1.582 1.00 10.00 C ATOM 361 C GLN A 435 -8.905 -4.529 -0.962 1.00 10.00 C ATOM 362 O GLN A 435 -8.820 -3.936 0.114 1.00 10.00 O ATOM 363 CB GLN A 435 -10.733 -6.225 -1.189 1.00 10.00 C ATOM 364 CG GLN A 435 -11.786 -6.227 -0.093 1.00 10.00 C ATOM 365 CD GLN A 435 -13.185 -6.000 -0.630 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.942 -6.947 -0.844 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.537 -4.738 -0.851 1.00 10.00 N ATOM 0 H GLN A 435 -10.143 -5.575 -3.537 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.978 -4.096 -1.202 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.137 -6.724 -2.070 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -9.874 -6.809 -0.858 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.754 -7.180 0.435 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.549 -5.451 0.635 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.878 -3.984 -0.660 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.467 -4.524 -1.212 1.00 10.00 H new ATOM 376 N GLU A 436 -7.843 -4.928 -1.651 1.00 10.00 N ATOM 377 CA GLU A 436 -6.500 -4.681 -1.166 1.00 10.00 C ATOM 378 C GLU A 436 -6.215 -3.191 -1.237 1.00 10.00 C ATOM 379 O GLU A 436 -5.848 -2.571 -0.239 1.00 10.00 O ATOM 380 CB GLU A 436 -5.480 -5.490 -1.974 1.00 10.00 C ATOM 381 CG GLU A 436 -5.993 -6.845 -2.439 1.00 10.00 C ATOM 382 CD GLU A 436 -6.570 -7.671 -1.306 1.00 10.00 C ATOM 383 OE1 GLU A 436 -7.728 -7.414 -0.914 1.00 10.00 O ATOM 384 OE2 GLU A 436 -5.865 -8.575 -0.812 1.00 10.00 O ATOM 0 H GLU A 436 -7.890 -5.421 -2.543 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.416 -5.004 -0.128 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.179 -4.909 -2.845 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.587 -5.640 -1.367 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -6.757 -6.697 -3.202 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -5.178 -7.397 -2.907 1.00 10.00 H new ATOM 391 N LYS A 437 -6.429 -2.608 -2.415 1.00 10.00 N ATOM 392 CA LYS A 437 -6.241 -1.173 -2.610 1.00 10.00 C ATOM 393 C LYS A 437 -6.938 -0.394 -1.503 1.00 10.00 C ATOM 394 O LYS A 437 -6.610 0.757 -1.240 1.00 10.00 O ATOM 395 CB LYS A 437 -6.792 -0.750 -3.973 1.00 10.00 C ATOM 396 CG LYS A 437 -5.984 -1.283 -5.145 1.00 10.00 C ATOM 397 CD LYS A 437 -6.538 -0.795 -6.473 1.00 10.00 C ATOM 398 CE LYS A 437 -7.574 -1.757 -7.032 1.00 10.00 C ATOM 399 NZ LYS A 437 -8.710 -1.039 -7.674 1.00 10.00 N ATOM 0 H LYS A 437 -6.733 -3.109 -3.250 1.00 10.00 H new ATOM 0 HA LYS A 437 -5.174 -0.954 -2.576 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -7.821 -1.097 -4.064 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -6.817 0.339 -4.024 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -4.945 -0.968 -5.045 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -5.989 -2.373 -5.126 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -6.988 0.189 -6.341 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -5.723 -0.680 -7.188 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -7.102 -2.415 -7.761 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -7.952 -2.390 -6.229 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -9.394 -1.730 -8.042 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -9.177 -0.430 -6.972 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -8.353 -0.454 -8.457 1.00 10.00 H new ATOM 413 N GLU A 438 -7.900 -1.036 -0.852 1.00 10.00 N ATOM 414 CA GLU A 438 -8.641 -0.400 0.226 1.00 10.00 C ATOM 415 C GLU A 438 -7.730 -0.027 1.389 1.00 10.00 C ATOM 416 O GLU A 438 -7.987 0.945 2.098 1.00 10.00 O ATOM 417 CB GLU A 438 -9.747 -1.330 0.720 1.00 10.00 C ATOM 418 CG GLU A 438 -11.006 -0.601 1.160 1.00 10.00 C ATOM 419 CD GLU A 438 -12.093 -1.547 1.630 1.00 10.00 C ATOM 420 OE1 GLU A 438 -12.287 -2.597 0.982 1.00 10.00 O ATOM 421 OE2 GLU A 438 -12.752 -1.238 2.646 1.00 10.00 O ATOM 0 H GLU A 438 -8.184 -1.995 -1.052 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.079 0.516 -0.169 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.002 -2.031 -0.075 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.368 -1.919 1.555 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.758 0.091 1.965 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.384 -0.003 0.331 1.00 10.00 H new ATOM 428 N THR A 439 -6.674 -0.806 1.595 1.00 10.00 N ATOM 429 CA THR A 439 -5.750 -0.543 2.692 1.00 10.00 C ATOM 430 C THR A 439 -4.700 0.494 2.305 1.00 10.00 C ATOM 431 O THR A 439 -4.522 1.498 2.996 1.00 10.00 O ATOM 432 CB THR A 439 -5.073 -1.845 3.131 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.023 -2.738 3.684 1.00 10.00 O ATOM 434 CG2 THR A 439 -3.978 -1.649 4.161 1.00 10.00 C ATOM 0 H THR A 439 -6.438 -1.617 1.023 1.00 10.00 H new ATOM 0 HA THR A 439 -6.325 -0.137 3.525 1.00 10.00 H new ATOM 0 HB THR A 439 -4.621 -2.248 2.225 1.00 10.00 H new ATOM 0 HG1 THR A 439 -5.739 -3.661 3.519 1.00 10.00 H new ATOM 0 HG21 THR A 439 -3.547 -2.615 4.422 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.202 -1.004 3.749 1.00 10.00 H new ATOM 0 HG23 THR A 439 -4.397 -1.186 5.054 1.00 10.00 H new ATOM 442 N PHE A 440 -4.004 0.241 1.210 1.00 10.00 N ATOM 443 CA PHE A 440 -2.964 1.147 0.739 1.00 10.00 C ATOM 444 C PHE A 440 -3.563 2.468 0.281 1.00 10.00 C ATOM 445 O PHE A 440 -2.964 3.528 0.463 1.00 10.00 O ATOM 446 CB PHE A 440 -2.175 0.507 -0.405 1.00 10.00 C ATOM 447 CG PHE A 440 -2.557 -0.906 -0.668 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.245 -1.914 0.226 1.00 10.00 C ATOM 449 CD2 PHE A 440 -3.255 -1.217 -1.806 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.631 -3.209 -0.024 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.639 -2.507 -2.063 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.329 -3.497 -1.175 1.00 10.00 C ATOM 0 H PHE A 440 -4.139 -0.585 0.628 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.286 1.343 1.570 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.327 1.091 -1.312 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.111 0.551 -0.172 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.695 -1.682 1.126 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.505 -0.436 -2.509 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.389 -3.994 0.677 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -4.185 -2.740 -2.965 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.634 -4.513 -1.377 1.00 10.00 H new ATOM 462 N ARG A 441 -4.751 2.404 -0.312 1.00 10.00 N ATOM 463 CA ARG A 441 -5.415 3.608 -0.785 1.00 10.00 C ATOM 464 C ARG A 441 -5.926 4.429 0.395 1.00 10.00 C ATOM 465 O ARG A 441 -5.995 5.655 0.327 1.00 10.00 O ATOM 466 CB ARG A 441 -6.587 3.264 -1.706 1.00 10.00 C ATOM 467 CG ARG A 441 -7.141 4.463 -2.458 1.00 10.00 C ATOM 468 CD ARG A 441 -7.941 4.035 -3.677 1.00 10.00 C ATOM 469 NE ARG A 441 -8.070 5.113 -4.655 1.00 10.00 N ATOM 470 CZ ARG A 441 -8.934 5.096 -5.667 1.00 10.00 C ATOM 471 NH1 ARG A 441 -9.745 4.060 -5.840 1.00 10.00 N ATOM 472 NH2 ARG A 441 -8.986 6.118 -6.510 1.00 10.00 N ATOM 0 H ARG A 441 -5.267 1.539 -0.474 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.685 4.191 -1.347 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -6.264 2.512 -2.426 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.385 2.817 -1.113 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -7.775 5.050 -1.793 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.320 5.110 -2.769 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -7.457 3.177 -4.145 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -8.933 3.710 -3.363 1.00 10.00 H new ATOM 0 HE ARG A 441 -7.462 5.926 -4.556 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.708 3.270 -5.195 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -10.405 4.053 -6.618 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -8.364 6.916 -6.383 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -9.648 6.106 -7.286 1.00 10.00 H new ATOM 486 N GLU A 442 -6.296 3.738 1.476 1.00 10.00 N ATOM 487 CA GLU A 442 -6.817 4.401 2.668 1.00 10.00 C ATOM 488 C GLU A 442 -5.734 5.194 3.388 1.00 10.00 C ATOM 489 O GLU A 442 -5.962 6.325 3.811 1.00 10.00 O ATOM 490 CB GLU A 442 -7.432 3.374 3.622 1.00 10.00 C ATOM 491 CG GLU A 442 -7.973 3.982 4.907 1.00 10.00 C ATOM 492 CD GLU A 442 -8.771 2.990 5.730 1.00 10.00 C ATOM 493 OE1 GLU A 442 -9.240 1.984 5.157 1.00 10.00 O ATOM 494 OE2 GLU A 442 -8.926 3.218 6.948 1.00 10.00 O ATOM 0 H GLU A 442 -6.244 2.722 1.548 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.588 5.100 2.344 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.240 2.852 3.109 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -6.679 2.627 3.873 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -7.143 4.359 5.504 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -8.604 4.837 4.663 1.00 10.00 H new ATOM 501 N LYS A 443 -4.557 4.599 3.526 1.00 10.00 N ATOM 502 CA LYS A 443 -3.450 5.262 4.198 1.00 10.00 C ATOM 503 C LYS A 443 -2.944 6.426 3.360 1.00 10.00 C ATOM 504 O LYS A 443 -2.686 7.513 3.875 1.00 10.00 O ATOM 505 CB LYS A 443 -2.321 4.270 4.468 1.00 10.00 C ATOM 506 CG LYS A 443 -2.261 3.796 5.910 1.00 10.00 C ATOM 507 CD LYS A 443 -3.025 2.495 6.102 1.00 10.00 C ATOM 508 CE LYS A 443 -4.427 2.745 6.632 1.00 10.00 C ATOM 509 NZ LYS A 443 -4.410 3.221 8.043 1.00 10.00 N ATOM 0 H LYS A 443 -4.345 3.662 3.183 1.00 10.00 H new ATOM 0 HA LYS A 443 -3.805 5.650 5.153 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.444 3.406 3.815 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -1.370 4.734 4.207 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -1.221 3.655 6.205 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -2.677 4.563 6.564 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -3.083 1.963 5.153 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -2.482 1.852 6.795 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.926 3.484 6.005 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -5.010 1.826 6.566 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -5.337 3.044 8.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -3.674 2.711 8.573 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -4.207 4.241 8.063 1.00 10.00 H new ATOM 523 N PHE A 444 -2.828 6.201 2.059 1.00 10.00 N ATOM 524 CA PHE A 444 -2.380 7.241 1.156 1.00 10.00 C ATOM 525 C PHE A 444 -3.453 8.312 1.052 1.00 10.00 C ATOM 526 O PHE A 444 -3.159 9.486 0.825 1.00 10.00 O ATOM 527 CB PHE A 444 -2.057 6.652 -0.214 1.00 10.00 C ATOM 528 CG PHE A 444 -1.614 7.673 -1.220 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.542 8.394 -1.953 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.268 7.910 -1.430 1.00 10.00 C ATOM 531 CE1 PHE A 444 -2.133 9.335 -2.880 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.149 8.849 -2.354 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.785 9.562 -3.080 1.00 10.00 C ATOM 0 H PHE A 444 -3.038 5.309 1.610 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.468 7.694 1.545 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.274 5.902 -0.102 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.939 6.138 -0.596 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.597 8.219 -1.799 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.466 7.355 -0.865 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.865 9.891 -3.446 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.203 9.025 -2.508 1.00 10.00 H new ATOM 0 HZ PHE A 444 -0.462 10.296 -3.803 1.00 10.00 H new ATOM 543 N MET A 445 -4.702 7.900 1.261 1.00 10.00 N ATOM 544 CA MET A 445 -5.818 8.826 1.232 1.00 10.00 C ATOM 545 C MET A 445 -5.861 9.590 2.548 1.00 10.00 C ATOM 546 O MET A 445 -6.112 10.795 2.580 1.00 10.00 O ATOM 547 CB MET A 445 -7.139 8.086 1.005 1.00 10.00 C ATOM 548 CG MET A 445 -7.445 7.824 -0.461 1.00 10.00 C ATOM 549 SD MET A 445 -8.221 9.235 -1.271 1.00 10.00 S ATOM 550 CE MET A 445 -9.192 8.411 -2.531 1.00 10.00 C ATOM 0 H MET A 445 -4.960 6.932 1.451 1.00 10.00 H new ATOM 0 HA MET A 445 -5.681 9.523 0.405 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.109 7.135 1.537 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.952 8.669 1.439 1.00 10.00 H new ATOM 0 HG2 MET A 445 -6.521 7.574 -0.982 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.101 6.957 -0.542 1.00 10.00 H new ATOM 0 HE1 MET A 445 -9.732 9.154 -3.118 1.00 10.00 H new ATOM 0 HE2 MET A 445 -8.531 7.842 -3.185 1.00 10.00 H new ATOM 0 HE3 MET A 445 -9.904 7.735 -2.058 1.00 10.00 H new ATOM 560 N GLN A 446 -5.580 8.870 3.632 1.00 10.00 N ATOM 561 CA GLN A 446 -5.546 9.458 4.963 1.00 10.00 C ATOM 562 C GLN A 446 -4.347 10.387 5.073 1.00 10.00 C ATOM 563 O GLN A 446 -4.406 11.437 5.711 1.00 10.00 O ATOM 564 CB GLN A 446 -5.447 8.359 6.024 1.00 10.00 C ATOM 565 CG GLN A 446 -6.004 8.765 7.378 1.00 10.00 C ATOM 566 CD GLN A 446 -6.671 7.610 8.101 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.369 7.332 9.262 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.583 6.931 7.416 1.00 10.00 N ATOM 0 H GLN A 446 -5.372 7.872 3.610 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.463 10.023 5.128 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -5.981 7.477 5.671 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.402 8.073 6.142 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.197 9.159 7.996 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.726 9.571 7.244 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.802 7.197 6.456 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.065 6.144 7.850 1.00 10.00 H new ATOM 577 N HIS A 447 -3.261 9.980 4.426 1.00 10.00 N ATOM 578 CA HIS A 447 -2.029 10.748 4.414 1.00 10.00 C ATOM 579 C HIS A 447 -1.848 11.417 3.051 1.00 10.00 C ATOM 580 O HIS A 447 -1.093 10.932 2.208 1.00 10.00 O ATOM 581 CB HIS A 447 -0.844 9.830 4.725 1.00 10.00 C ATOM 582 CG HIS A 447 -0.967 9.124 6.043 1.00 10.00 C ATOM 583 ND1 HIS A 447 -0.640 9.719 7.244 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.391 7.870 6.353 1.00 10.00 C ATOM 585 CE1 HIS A 447 -0.853 8.866 8.230 1.00 10.00 C ATOM 586 NE2 HIS A 447 -1.310 7.740 7.716 1.00 10.00 N ATOM 0 H HIS A 447 -3.213 9.109 3.897 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.078 11.524 5.178 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.750 9.089 3.931 1.00 10.00 H new ATOM 0 HB3 HIS A 447 0.073 10.419 4.721 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.729 7.117 5.656 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -0.682 9.058 9.279 1.00 10.00 H new ATOM 0 HE2 HIS A 447 -1.563 6.907 8.247 1.00 10.00 H new ATOM 595 N PRO A 448 -2.559 12.537 2.812 1.00 10.00 N ATOM 596 CA PRO A 448 -2.503 13.274 1.548 1.00 10.00 C ATOM 597 C PRO A 448 -1.093 13.380 0.977 1.00 10.00 C ATOM 598 O PRO A 448 -0.235 14.065 1.534 1.00 10.00 O ATOM 599 CB PRO A 448 -3.045 14.669 1.909 1.00 10.00 C ATOM 600 CG PRO A 448 -3.383 14.624 3.369 1.00 10.00 C ATOM 601 CD PRO A 448 -3.488 13.175 3.747 1.00 10.00 C ATOM 0 HA PRO A 448 -3.076 12.767 0.772 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -2.301 15.440 1.706 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -3.925 14.910 1.313 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.614 15.122 3.959 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -4.321 15.143 3.565 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -3.201 13.004 4.785 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -4.504 12.798 3.631 1.00 10.00 H new ATOM 609 N LYS A 449 -0.867 12.698 -0.146 1.00 10.00 N ATOM 610 CA LYS A 449 0.433 12.709 -0.814 1.00 10.00 C ATOM 611 C LYS A 449 1.572 12.558 0.188 1.00 10.00 C ATOM 612 O LYS A 449 2.209 13.539 0.570 1.00 10.00 O ATOM 613 CB LYS A 449 0.608 14.005 -1.608 1.00 10.00 C ATOM 614 CG LYS A 449 1.440 13.838 -2.869 1.00 10.00 C ATOM 615 CD LYS A 449 0.582 13.418 -4.051 1.00 10.00 C ATOM 616 CE LYS A 449 1.227 13.803 -5.373 1.00 10.00 C ATOM 617 NZ LYS A 449 0.985 15.232 -5.714 1.00 10.00 N ATOM 0 H LYS A 449 -1.572 12.128 -0.614 1.00 10.00 H new ATOM 0 HA LYS A 449 0.465 11.860 -1.497 1.00 10.00 H new ATOM 0 HB2 LYS A 449 -0.375 14.391 -1.879 1.00 10.00 H new ATOM 0 HB3 LYS A 449 1.078 14.752 -0.969 1.00 10.00 H new ATOM 0 HG2 LYS A 449 1.945 14.776 -3.100 1.00 10.00 H new ATOM 0 HG3 LYS A 449 2.216 13.092 -2.698 1.00 10.00 H new ATOM 0 HD2 LYS A 449 0.424 12.340 -4.022 1.00 10.00 H new ATOM 0 HD3 LYS A 449 -0.399 13.886 -3.974 1.00 10.00 H new ATOM 0 HE2 LYS A 449 2.300 13.619 -5.320 1.00 10.00 H new ATOM 0 HE3 LYS A 449 0.833 13.169 -6.167 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 1.441 15.454 -6.622 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 -0.038 15.402 -5.789 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 1.383 15.839 -4.969 1.00 10.00 H new ATOM 631 N ASN A 450 1.823 11.325 0.613 1.00 10.00 N ATOM 632 CA ASN A 450 2.885 11.058 1.573 1.00 10.00 C ATOM 633 C ASN A 450 3.842 9.990 1.060 1.00 10.00 C ATOM 634 O ASN A 450 5.059 10.175 1.085 1.00 10.00 O ATOM 635 CB ASN A 450 2.295 10.629 2.920 1.00 10.00 C ATOM 636 CG ASN A 450 1.424 9.392 2.809 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.682 9.227 1.841 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.509 8.514 3.803 1.00 10.00 N ATOM 0 H ASN A 450 1.308 10.499 0.309 1.00 10.00 H new ATOM 0 HA ASN A 450 3.448 11.982 1.708 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.106 10.436 3.622 1.00 10.00 H new ATOM 0 HB3 ASN A 450 1.705 11.448 3.331 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.946 7.664 3.782 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.137 8.690 4.587 1.00 10.00 H new ATOM 645 N PHE A 451 3.288 8.866 0.612 1.00 10.00 N ATOM 646 CA PHE A 451 4.095 7.755 0.112 1.00 10.00 C ATOM 647 C PHE A 451 5.289 7.519 1.026 1.00 10.00 C ATOM 648 O PHE A 451 6.439 7.472 0.593 1.00 10.00 O ATOM 649 CB PHE A 451 4.541 8.003 -1.332 1.00 10.00 C ATOM 650 CG PHE A 451 3.905 7.060 -2.318 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.612 6.607 -2.117 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.592 6.630 -3.444 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.012 5.747 -3.014 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.997 5.766 -4.347 1.00 10.00 C ATOM 655 CZ PHE A 451 2.705 5.325 -4.131 1.00 10.00 C ATOM 0 H PHE A 451 2.282 8.700 0.585 1.00 10.00 H new ATOM 0 HA PHE A 451 3.481 6.855 0.112 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.297 9.028 -1.610 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.625 7.906 -1.393 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.065 6.932 -1.245 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.601 6.973 -3.618 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.002 5.405 -2.843 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.542 5.437 -5.219 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.238 4.652 -4.835 1.00 10.00 H new ATOM 665 N GLY A 452 4.977 7.369 2.303 1.00 10.00 N ATOM 666 CA GLY A 452 5.978 7.131 3.321 1.00 10.00 C ATOM 667 C GLY A 452 5.412 6.250 4.406 1.00 10.00 C ATOM 668 O GLY A 452 5.986 5.218 4.750 1.00 10.00 O ATOM 0 H GLY A 452 4.022 7.409 2.659 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.854 6.658 2.877 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.308 8.079 3.746 1.00 10.00 H new ATOM 672 N LEU A 453 4.245 6.642 4.911 1.00 10.00 N ATOM 673 CA LEU A 453 3.557 5.863 5.923 1.00 10.00 C ATOM 674 C LEU A 453 2.785 4.754 5.234 1.00 10.00 C ATOM 675 O LEU A 453 2.736 3.620 5.709 1.00 10.00 O ATOM 676 CB LEU A 453 2.596 6.733 6.738 1.00 10.00 C ATOM 677 CG LEU A 453 1.627 5.952 7.632 1.00 10.00 C ATOM 678 CD1 LEU A 453 1.205 6.793 8.826 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.411 5.489 6.834 1.00 10.00 C ATOM 0 H LEU A 453 3.760 7.495 4.632 1.00 10.00 H new ATOM 0 HA LEU A 453 4.293 5.447 6.611 1.00 10.00 H new ATOM 0 HB2 LEU A 453 3.180 7.409 7.362 1.00 10.00 H new ATOM 0 HB3 LEU A 453 2.018 7.352 6.052 1.00 10.00 H new ATOM 0 HG LEU A 453 2.142 5.067 8.006 1.00 10.00 H new ATOM 0 HD11 LEU A 453 0.517 6.221 9.449 1.00 10.00 H new ATOM 0 HD12 LEU A 453 2.085 7.063 9.410 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.710 7.699 8.476 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.264 4.937 7.487 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.108 6.356 6.426 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.736 4.843 6.018 1.00 10.00 H new ATOM 691 N ILE A 454 2.194 5.097 4.092 1.00 10.00 N ATOM 692 CA ILE A 454 1.436 4.143 3.313 1.00 10.00 C ATOM 693 C ILE A 454 2.323 2.975 2.906 1.00 10.00 C ATOM 694 O ILE A 454 1.910 1.818 2.954 1.00 10.00 O ATOM 695 CB ILE A 454 0.854 4.801 2.049 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.143 3.846 1.383 1.00 10.00 C ATOM 697 CG2 ILE A 454 1.977 5.200 1.098 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.022 3.774 -0.126 1.00 10.00 C ATOM 0 H ILE A 454 2.230 6.034 3.691 1.00 10.00 H new ATOM 0 HA ILE A 454 0.615 3.783 3.933 1.00 10.00 H new ATOM 0 HB ILE A 454 0.319 5.710 2.322 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -0.003 2.847 1.795 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -1.155 4.158 1.641 1.00 10.00 H new ATOM 0 HG21 ILE A 454 1.552 5.664 0.208 1.00 10.00 H new ATOM 0 HG22 ILE A 454 2.640 5.908 1.595 1.00 10.00 H new ATOM 0 HG23 ILE A 454 2.542 4.314 0.810 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -0.763 3.077 -0.518 1.00 10.00 H new ATOM 0 HD12 ILE A 454 -0.193 4.762 -0.552 1.00 10.00 H new ATOM 0 HD13 ILE A 454 0.977 3.431 -0.395 1.00 10.00 H new ATOM 710 N ALA A 455 3.552 3.299 2.514 1.00 10.00 N ATOM 711 CA ALA A 455 4.521 2.294 2.104 1.00 10.00 C ATOM 712 C ALA A 455 5.385 1.850 3.282 1.00 10.00 C ATOM 713 O ALA A 455 6.428 1.224 3.096 1.00 10.00 O ATOM 714 CB ALA A 455 5.395 2.835 0.983 1.00 10.00 C ATOM 0 H ALA A 455 3.900 4.257 2.473 1.00 10.00 H new ATOM 0 HA ALA A 455 3.975 1.424 1.740 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.116 2.074 0.685 1.00 10.00 H new ATOM 0 HB2 ALA A 455 4.770 3.098 0.129 1.00 10.00 H new ATOM 0 HB3 ALA A 455 5.926 3.721 1.331 1.00 10.00 H new ATOM 720 N SER A 456 4.949 2.184 4.496 1.00 10.00 N ATOM 721 CA SER A 456 5.691 1.823 5.697 1.00 10.00 C ATOM 722 C SER A 456 4.897 0.863 6.578 1.00 10.00 C ATOM 723 O SER A 456 5.479 0.095 7.344 1.00 10.00 O ATOM 724 CB SER A 456 6.056 3.076 6.493 1.00 10.00 C ATOM 725 OG SER A 456 6.466 2.745 7.808 1.00 10.00 O ATOM 0 H SER A 456 4.088 2.702 4.671 1.00 10.00 H new ATOM 0 HA SER A 456 6.603 1.317 5.381 1.00 10.00 H new ATOM 0 HB2 SER A 456 6.856 3.613 5.984 1.00 10.00 H new ATOM 0 HB3 SER A 456 5.198 3.747 6.535 1.00 10.00 H new ATOM 0 HG SER A 456 6.695 3.564 8.295 1.00 10.00 H new ATOM 731 N PHE A 457 3.569 0.901 6.473 1.00 10.00 N ATOM 732 CA PHE A 457 2.734 0.015 7.277 1.00 10.00 C ATOM 733 C PHE A 457 2.581 -1.342 6.592 1.00 10.00 C ATOM 734 O PHE A 457 2.398 -2.365 7.253 1.00 10.00 O ATOM 735 CB PHE A 457 1.362 0.649 7.544 1.00 10.00 C ATOM 736 CG PHE A 457 0.424 0.587 6.375 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.243 -0.590 6.067 1.00 10.00 C ATOM 738 CD2 PHE A 457 0.216 1.702 5.578 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.099 -0.652 4.988 1.00 10.00 C ATOM 740 CE2 PHE A 457 -0.639 1.643 4.498 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.295 0.469 4.202 1.00 10.00 C ATOM 0 H PHE A 457 3.057 1.525 5.850 1.00 10.00 H new ATOM 0 HA PHE A 457 3.225 -0.139 8.238 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.900 0.147 8.394 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.504 1.692 7.828 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.090 -1.467 6.679 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.728 2.625 5.805 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.615 -1.573 4.757 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -0.794 2.518 3.884 1.00 10.00 H new ATOM 0 HZ PHE A 457 -1.963 0.424 3.355 1.00 10.00 H new ATOM 751 N LEU A 458 2.670 -1.342 5.265 1.00 10.00 N ATOM 752 CA LEU A 458 2.558 -2.572 4.489 1.00 10.00 C ATOM 753 C LEU A 458 3.926 -2.988 3.954 1.00 10.00 C ATOM 754 O LEU A 458 4.052 -3.408 2.808 1.00 10.00 O ATOM 755 CB LEU A 458 1.559 -2.400 3.339 1.00 10.00 C ATOM 756 CG LEU A 458 1.475 -0.989 2.759 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.827 -0.571 2.210 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.409 -0.913 1.673 1.00 10.00 C ATOM 0 H LEU A 458 2.819 -0.503 4.705 1.00 10.00 H new ATOM 0 HA LEU A 458 2.188 -3.360 5.145 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.828 -3.090 2.539 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.569 -2.691 3.691 1.00 10.00 H new ATOM 0 HG LEU A 458 1.192 -0.302 3.557 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.757 0.436 1.799 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.565 -0.585 3.012 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.131 -1.263 1.425 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.367 0.101 1.275 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.657 -1.608 0.871 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.560 -1.177 2.096 1.00 10.00 H new ATOM 770 N GLU A 459 4.936 -2.856 4.821 1.00 10.00 N ATOM 771 CA GLU A 459 6.342 -3.195 4.529 1.00 10.00 C ATOM 772 C GLU A 459 6.577 -3.723 3.113 1.00 10.00 C ATOM 773 O GLU A 459 7.273 -3.092 2.317 1.00 10.00 O ATOM 774 CB GLU A 459 6.845 -4.225 5.542 1.00 10.00 C ATOM 775 CG GLU A 459 8.326 -4.540 5.405 1.00 10.00 C ATOM 776 CD GLU A 459 9.178 -3.783 6.405 1.00 10.00 C ATOM 777 OE1 GLU A 459 9.099 -2.536 6.428 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.924 -4.436 7.164 1.00 10.00 O ATOM 0 H GLU A 459 4.800 -2.503 5.768 1.00 10.00 H new ATOM 0 HA GLU A 459 6.899 -2.261 4.607 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.652 -3.856 6.549 1.00 10.00 H new ATOM 0 HB3 GLU A 459 6.274 -5.146 5.425 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.480 -5.611 5.539 1.00 10.00 H new ATOM 0 HG3 GLU A 459 8.654 -4.295 4.395 1.00 10.00 H new ATOM 785 N ARG A 460 6.006 -4.888 2.810 1.00 10.00 N ATOM 786 CA ARG A 460 6.158 -5.515 1.496 1.00 10.00 C ATOM 787 C ARG A 460 6.066 -4.487 0.375 1.00 10.00 C ATOM 788 O ARG A 460 6.668 -4.652 -0.687 1.00 10.00 O ATOM 789 CB ARG A 460 5.094 -6.596 1.299 1.00 10.00 C ATOM 790 CG ARG A 460 5.510 -7.962 1.819 1.00 10.00 C ATOM 791 CD ARG A 460 5.850 -7.914 3.300 1.00 10.00 C ATOM 792 NE ARG A 460 6.232 -9.226 3.817 1.00 10.00 N ATOM 793 CZ ARG A 460 5.363 -10.193 4.101 1.00 10.00 C ATOM 794 NH1 ARG A 460 4.062 -10.000 3.920 1.00 10.00 N ATOM 795 NH2 ARG A 460 5.795 -11.357 4.566 1.00 10.00 N ATOM 0 H ARG A 460 5.430 -5.421 3.461 1.00 10.00 H new ATOM 0 HA ARG A 460 7.147 -5.971 1.458 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.178 -6.288 1.803 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.862 -6.676 0.237 1.00 10.00 H new ATOM 0 HG2 ARG A 460 4.704 -8.677 1.653 1.00 10.00 H new ATOM 0 HG3 ARG A 460 6.374 -8.319 1.258 1.00 10.00 H new ATOM 0 HD2 ARG A 460 6.665 -7.209 3.462 1.00 10.00 H new ATOM 0 HD3 ARG A 460 4.991 -7.541 3.857 1.00 10.00 H new ATOM 0 HE ARG A 460 7.223 -9.412 3.969 1.00 10.00 H new ATOM 0 HH11 ARG A 460 3.724 -9.107 3.562 1.00 10.00 H new ATOM 0 HH12 ARG A 460 3.401 -10.745 4.139 1.00 10.00 H new ATOM 0 HH21 ARG A 460 6.793 -11.511 4.706 1.00 10.00 H new ATOM 0 HH22 ARG A 460 5.129 -12.098 4.784 1.00 10.00 H new ATOM 809 N LYS A 461 5.315 -3.423 0.623 1.00 10.00 N ATOM 810 CA LYS A 461 5.148 -2.360 -0.362 1.00 10.00 C ATOM 811 C LYS A 461 5.919 -1.114 0.056 1.00 10.00 C ATOM 812 O LYS A 461 5.463 -0.344 0.902 1.00 10.00 O ATOM 813 CB LYS A 461 3.669 -2.005 -0.562 1.00 10.00 C ATOM 814 CG LYS A 461 2.690 -3.068 -0.084 1.00 10.00 C ATOM 815 CD LYS A 461 2.326 -4.021 -1.210 1.00 10.00 C ATOM 816 CE LYS A 461 2.938 -5.395 -1.001 1.00 10.00 C ATOM 817 NZ LYS A 461 2.374 -6.080 0.195 1.00 10.00 N ATOM 0 H LYS A 461 4.811 -3.272 1.497 1.00 10.00 H new ATOM 0 HA LYS A 461 5.545 -2.730 -1.308 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.459 -1.074 -0.036 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.494 -1.819 -1.622 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.130 -3.627 0.742 1.00 10.00 H new ATOM 0 HG3 LYS A 461 1.788 -2.591 0.299 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.242 -4.111 -1.274 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.669 -3.610 -2.160 1.00 10.00 H new ATOM 0 HE2 LYS A 461 2.764 -6.008 -1.886 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.018 -5.298 -0.888 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 2.889 -6.968 0.361 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.471 -5.463 1.027 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.368 -6.288 0.034 1.00 10.00 H new ATOM 831 N THR A 462 7.084 -0.918 -0.546 1.00 10.00 N ATOM 832 CA THR A 462 7.915 0.240 -0.240 1.00 10.00 C ATOM 833 C THR A 462 7.386 1.479 -0.952 1.00 10.00 C ATOM 834 O THR A 462 6.484 1.388 -1.783 1.00 10.00 O ATOM 835 CB THR A 462 9.368 -0.020 -0.647 1.00 10.00 C ATOM 836 OG1 THR A 462 9.581 -1.397 -0.904 1.00 10.00 O ATOM 837 CG2 THR A 462 10.369 0.410 0.404 1.00 10.00 C ATOM 0 H THR A 462 7.476 -1.545 -1.249 1.00 10.00 H new ATOM 0 HA THR A 462 7.879 0.412 0.836 1.00 10.00 H new ATOM 0 HB THR A 462 9.526 0.577 -1.545 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.515 -1.541 -1.164 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.379 0.198 0.053 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.266 1.479 0.589 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.184 -0.137 1.328 1.00 10.00 H new ATOM 845 N VAL A 463 7.951 2.637 -0.627 1.00 10.00 N ATOM 846 CA VAL A 463 7.528 3.887 -1.245 1.00 10.00 C ATOM 847 C VAL A 463 7.734 3.840 -2.756 1.00 10.00 C ATOM 848 O VAL A 463 6.797 4.051 -3.526 1.00 10.00 O ATOM 849 CB VAL A 463 8.290 5.093 -0.656 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.935 6.376 -1.396 1.00 10.00 C ATOM 851 CG2 VAL A 463 7.995 5.232 0.831 1.00 10.00 C ATOM 0 H VAL A 463 8.700 2.735 0.058 1.00 10.00 H new ATOM 0 HA VAL A 463 6.466 4.011 -1.032 1.00 10.00 H new ATOM 0 HB VAL A 463 9.358 4.916 -0.783 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.485 7.211 -0.962 1.00 10.00 H new ATOM 0 HG12 VAL A 463 8.201 6.275 -2.448 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.865 6.562 -1.308 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.540 6.087 1.232 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.925 5.382 0.977 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.308 4.326 1.350 1.00 10.00 H new ATOM 861 N ALA A 464 8.962 3.554 -3.173 1.00 10.00 N ATOM 862 CA ALA A 464 9.284 3.471 -4.592 1.00 10.00 C ATOM 863 C ALA A 464 8.611 2.260 -5.231 1.00 10.00 C ATOM 864 O ALA A 464 8.358 2.242 -6.436 1.00 10.00 O ATOM 865 CB ALA A 464 10.791 3.407 -4.789 1.00 10.00 C ATOM 0 H ALA A 464 9.750 3.376 -2.550 1.00 10.00 H new ATOM 0 HA ALA A 464 8.905 4.368 -5.082 1.00 10.00 H new ATOM 0 HB1 ALA A 464 11.016 3.345 -5.854 1.00 10.00 H new ATOM 0 HB2 ALA A 464 11.251 4.303 -4.372 1.00 10.00 H new ATOM 0 HB3 ALA A 464 11.187 2.527 -4.283 1.00 10.00 H new ATOM 871 N GLU A 465 8.323 1.250 -4.415 1.00 10.00 N ATOM 872 CA GLU A 465 7.678 0.035 -4.898 1.00 10.00 C ATOM 873 C GLU A 465 6.155 0.151 -4.835 1.00 10.00 C ATOM 874 O GLU A 465 5.440 -0.705 -5.356 1.00 10.00 O ATOM 875 CB GLU A 465 8.143 -1.172 -4.081 1.00 10.00 C ATOM 876 CG GLU A 465 7.538 -2.488 -4.541 1.00 10.00 C ATOM 877 CD GLU A 465 8.484 -3.659 -4.359 1.00 10.00 C ATOM 878 OE1 GLU A 465 9.079 -3.777 -3.268 1.00 10.00 O ATOM 879 OE2 GLU A 465 8.628 -4.459 -5.308 1.00 10.00 O ATOM 0 H GLU A 465 8.527 1.250 -3.416 1.00 10.00 H new ATOM 0 HA GLU A 465 7.965 -0.103 -5.940 1.00 10.00 H new ATOM 0 HB2 GLU A 465 9.229 -1.242 -4.138 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.888 -1.011 -3.034 1.00 10.00 H new ATOM 0 HG2 GLU A 465 6.621 -2.677 -3.983 1.00 10.00 H new ATOM 0 HG3 GLU A 465 7.261 -2.409 -5.592 1.00 10.00 H new ATOM 886 N CYS A 466 5.660 1.213 -4.201 1.00 10.00 N ATOM 887 CA CYS A 466 4.224 1.429 -4.087 1.00 10.00 C ATOM 888 C CYS A 466 3.667 1.991 -5.387 1.00 10.00 C ATOM 889 O CYS A 466 2.487 1.826 -5.690 1.00 10.00 O ATOM 890 CB CYS A 466 3.912 2.378 -2.928 1.00 10.00 C ATOM 891 SG CYS A 466 2.146 2.596 -2.611 1.00 10.00 S ATOM 0 H CYS A 466 6.232 1.933 -3.761 1.00 10.00 H new ATOM 0 HA CYS A 466 3.749 0.468 -3.887 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.389 2.000 -2.024 1.00 10.00 H new ATOM 0 HB3 CYS A 466 4.356 3.351 -3.139 1.00 10.00 H new ATOM 0 HG CYS A 466 1.783 3.788 -2.980 1.00 10.00 H new ATOM 897 N VAL A 467 4.530 2.638 -6.168 1.00 10.00 N ATOM 898 CA VAL A 467 4.121 3.199 -7.450 1.00 10.00 C ATOM 899 C VAL A 467 3.379 2.150 -8.276 1.00 10.00 C ATOM 900 O VAL A 467 2.572 2.480 -9.143 1.00 10.00 O ATOM 901 CB VAL A 467 5.337 3.713 -8.248 1.00 10.00 C ATOM 902 CG1 VAL A 467 6.307 2.578 -8.538 1.00 10.00 C ATOM 903 CG2 VAL A 467 4.888 4.383 -9.538 1.00 10.00 C ATOM 0 H VAL A 467 5.512 2.785 -5.935 1.00 10.00 H new ATOM 0 HA VAL A 467 3.457 4.039 -7.247 1.00 10.00 H new ATOM 0 HB VAL A 467 5.855 4.456 -7.642 1.00 10.00 H new ATOM 0 HG11 VAL A 467 7.158 2.961 -9.102 1.00 10.00 H new ATOM 0 HG12 VAL A 467 6.657 2.150 -7.599 1.00 10.00 H new ATOM 0 HG13 VAL A 467 5.802 1.808 -9.122 1.00 10.00 H new ATOM 0 HG21 VAL A 467 5.760 4.739 -10.086 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.343 3.665 -10.150 1.00 10.00 H new ATOM 0 HG23 VAL A 467 4.239 5.226 -9.303 1.00 10.00 H new ATOM 913 N LEU A 468 3.660 0.881 -7.982 1.00 10.00 N ATOM 914 CA LEU A 468 3.032 -0.240 -8.671 1.00 10.00 C ATOM 915 C LEU A 468 1.572 -0.421 -8.253 1.00 10.00 C ATOM 916 O LEU A 468 0.909 -1.362 -8.679 1.00 10.00 O ATOM 917 CB LEU A 468 3.813 -1.515 -8.374 1.00 10.00 C ATOM 918 CG LEU A 468 4.589 -2.094 -9.558 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.790 -1.222 -9.888 1.00 10.00 C ATOM 920 CD2 LEU A 468 5.030 -3.519 -9.259 1.00 10.00 C ATOM 0 H LEU A 468 4.327 0.604 -7.262 1.00 10.00 H new ATOM 0 HA LEU A 468 3.045 -0.029 -9.740 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.514 -1.312 -7.565 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.118 -2.272 -8.011 1.00 10.00 H new ATOM 0 HG LEU A 468 3.930 -2.112 -10.426 1.00 10.00 H new ATOM 0 HD11 LEU A 468 6.329 -1.650 -10.733 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.451 -0.218 -10.145 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.452 -1.171 -9.023 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.581 -3.916 -10.112 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.672 -3.524 -8.378 1.00 10.00 H new ATOM 0 HD23 LEU A 468 4.154 -4.140 -9.072 1.00 10.00 H new ATOM 932 N TYR A 469 1.079 0.477 -7.416 1.00 10.00 N ATOM 933 CA TYR A 469 -0.298 0.414 -6.949 1.00 10.00 C ATOM 934 C TYR A 469 -1.154 1.447 -7.680 1.00 10.00 C ATOM 935 O TYR A 469 -2.338 1.226 -7.929 1.00 10.00 O ATOM 936 CB TYR A 469 -0.355 0.665 -5.430 1.00 10.00 C ATOM 937 CG TYR A 469 -1.589 1.408 -4.975 1.00 10.00 C ATOM 938 CD1 TYR A 469 -1.682 2.775 -5.171 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.662 0.752 -4.372 1.00 10.00 C ATOM 940 CE1 TYR A 469 -2.795 3.481 -4.789 1.00 10.00 C ATOM 941 CE2 TYR A 469 -3.787 1.459 -3.980 1.00 10.00 C ATOM 942 CZ TYR A 469 -3.847 2.823 -4.194 1.00 10.00 C ATOM 943 OH TYR A 469 -4.962 3.530 -3.817 1.00 10.00 O ATOM 0 H TYR A 469 1.614 1.262 -7.044 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.691 -0.581 -7.159 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -0.309 -0.293 -4.912 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.528 1.231 -5.132 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.859 3.298 -5.635 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.615 -0.315 -4.210 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -2.845 4.547 -4.954 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -4.613 0.947 -3.509 1.00 10.00 H new ATOM 0 HH TYR A 469 -5.359 3.958 -4.604 1.00 10.00 H new ATOM 953 N TYR A 470 -0.548 2.590 -7.985 1.00 10.00 N ATOM 954 CA TYR A 470 -1.255 3.685 -8.646 1.00 10.00 C ATOM 955 C TYR A 470 -1.399 3.477 -10.157 1.00 10.00 C ATOM 956 O TYR A 470 -2.488 3.646 -10.704 1.00 10.00 O ATOM 957 CB TYR A 470 -0.551 5.019 -8.348 1.00 10.00 C ATOM 958 CG TYR A 470 0.204 5.608 -9.521 1.00 10.00 C ATOM 959 CD1 TYR A 470 -0.424 6.469 -10.412 1.00 10.00 C ATOM 960 CD2 TYR A 470 1.540 5.302 -9.736 1.00 10.00 C ATOM 961 CE1 TYR A 470 0.260 7.007 -11.485 1.00 10.00 C ATOM 962 CE2 TYR A 470 2.231 5.836 -10.806 1.00 10.00 C ATOM 963 CZ TYR A 470 1.587 6.688 -11.678 1.00 10.00 C ATOM 964 OH TYR A 470 2.272 7.221 -12.746 1.00 10.00 O ATOM 0 H TYR A 470 0.433 2.784 -7.785 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.266 3.706 -8.240 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -1.296 5.741 -8.012 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.145 4.871 -7.522 1.00 10.00 H new ATOM 0 HD1 TYR A 470 -1.463 6.722 -10.264 1.00 10.00 H new ATOM 0 HD2 TYR A 470 2.048 4.635 -9.055 1.00 10.00 H new ATOM 0 HE1 TYR A 470 -0.243 7.674 -12.169 1.00 10.00 H new ATOM 0 HE2 TYR A 470 3.271 5.587 -10.959 1.00 10.00 H new ATOM 0 HH TYR A 470 3.197 6.896 -12.736 1.00 10.00 H new ATOM 974 N TYR A 471 -0.306 3.140 -10.838 1.00 10.00 N ATOM 975 CA TYR A 471 -0.360 2.952 -12.287 1.00 10.00 C ATOM 976 C TYR A 471 -1.070 1.654 -12.669 1.00 10.00 C ATOM 977 O TYR A 471 -1.312 1.399 -13.848 1.00 10.00 O ATOM 978 CB TYR A 471 1.047 3.026 -12.902 1.00 10.00 C ATOM 979 CG TYR A 471 1.765 1.697 -13.020 1.00 10.00 C ATOM 980 CD1 TYR A 471 1.550 0.862 -14.110 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.666 1.287 -12.048 1.00 10.00 C ATOM 982 CE1 TYR A 471 2.213 -0.346 -14.225 1.00 10.00 C ATOM 983 CE2 TYR A 471 3.331 0.082 -12.154 1.00 10.00 C ATOM 984 CZ TYR A 471 3.101 -0.732 -13.243 1.00 10.00 C ATOM 985 OH TYR A 471 3.764 -1.933 -13.353 1.00 10.00 O ATOM 0 H TYR A 471 0.613 2.993 -10.420 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.952 3.769 -12.701 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.970 3.470 -13.895 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.656 3.699 -12.298 1.00 10.00 H new ATOM 0 HD1 TYR A 471 0.854 1.161 -14.880 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.850 1.922 -11.194 1.00 10.00 H new ATOM 0 HE1 TYR A 471 2.036 -0.983 -15.079 1.00 10.00 H new ATOM 0 HE2 TYR A 471 4.028 -0.222 -11.387 1.00 10.00 H new ATOM 0 HH TYR A 471 4.353 -2.054 -12.579 1.00 10.00 H new