USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 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 443 LYS NZ :NH3+ -165:sc=0.000477 (180deg=0) USER MOD Set 1.2: A 446 GLN : amide:sc= -0.326 X(o=-0.33,f=-0.081) USER MOD Set 2.1: A 421 LYS NZ :NH3+ 158:sc= 1.14 (180deg=0) USER MOD Set 2.2: A 439 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 423 TYR OH : rot -54:sc= 0.0114 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -3.67 X(o=-3.7,f=-3.4!) USER MOD Single : A 429 MET CE :methyl 174:sc= 0 (180deg=-0.0665) USER MOD Single : A 430 ASN : amide:sc= -0.0628 X(o=-0.063,f=0) 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 :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 437 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 447 HIS :FLIP no HE2:sc= -14.6! C(o=-16!,f=-15!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -8.34! C(o=-8.3!,f=-14!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -123:sc= -2.23 (180deg=-3.81!) USER MOD Single : A 462 THR OG1 : rot 180:sc= 0 USER MOD Single : A 466 CYS SG : rot -132:sc= -0.99! USER MOD Single : A 469 TYR OH : rot 30:sc= -4.43! 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 -1.087 -4.920 8.562 1.00 10.00 N ATOM 112 CA LYS A 421 -1.557 -4.963 7.181 1.00 10.00 C ATOM 113 C LYS A 421 -0.380 -5.027 6.228 1.00 10.00 C ATOM 114 O LYS A 421 0.204 -4.008 5.862 1.00 10.00 O ATOM 115 CB LYS A 421 -2.433 -3.759 6.866 1.00 10.00 C ATOM 116 CG LYS A 421 -2.880 -3.703 5.415 1.00 10.00 C ATOM 117 CD LYS A 421 -4.118 -4.547 5.165 1.00 10.00 C ATOM 118 CE LYS A 421 -5.267 -4.155 6.082 1.00 10.00 C ATOM 119 NZ LYS A 421 -6.572 -4.145 5.365 1.00 10.00 N ATOM 0 HA LYS A 421 -2.161 -5.862 7.053 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -3.313 -3.781 7.509 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.885 -2.848 7.105 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -3.085 -2.669 5.139 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -2.070 -4.049 4.773 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.429 -4.437 4.126 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -3.876 -5.599 5.315 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -5.318 -4.852 6.918 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -5.076 -3.167 6.501 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -7.346 -4.246 6.052 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.679 -3.247 4.852 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -6.603 -4.935 4.690 1.00 10.00 H new ATOM 133 N VAL A 422 -0.028 -6.247 5.862 1.00 10.00 N ATOM 134 CA VAL A 422 1.095 -6.497 4.986 1.00 10.00 C ATOM 135 C VAL A 422 1.240 -7.997 4.765 1.00 10.00 C ATOM 136 O VAL A 422 1.434 -8.467 3.645 1.00 10.00 O ATOM 137 CB VAL A 422 2.374 -5.909 5.607 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.979 -6.849 6.643 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.385 -5.558 4.529 1.00 10.00 C ATOM 0 H VAL A 422 -0.515 -7.090 6.166 1.00 10.00 H new ATOM 0 HA VAL A 422 0.928 -6.017 4.022 1.00 10.00 H new ATOM 0 HB VAL A 422 2.098 -4.991 6.125 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.881 -6.400 7.059 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.258 -7.023 7.442 1.00 10.00 H new ATOM 0 HG13 VAL A 422 3.232 -7.798 6.170 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.281 -5.144 4.991 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.647 -6.456 3.970 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.953 -4.822 3.851 1.00 10.00 H new ATOM 149 N TYR A 423 1.103 -8.733 5.860 1.00 10.00 N ATOM 150 CA TYR A 423 1.168 -10.191 5.847 1.00 10.00 C ATOM 151 C TYR A 423 0.322 -10.768 4.708 1.00 10.00 C ATOM 152 O TYR A 423 0.581 -11.874 4.233 1.00 10.00 O ATOM 153 CB TYR A 423 0.702 -10.769 7.202 1.00 10.00 C ATOM 154 CG TYR A 423 -0.199 -9.858 8.022 1.00 10.00 C ATOM 155 CD1 TYR A 423 -1.026 -8.918 7.419 1.00 10.00 C ATOM 156 CD2 TYR A 423 -0.207 -9.934 9.409 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.822 -8.084 8.162 1.00 10.00 C ATOM 158 CE2 TYR A 423 -1.010 -9.101 10.164 1.00 10.00 C ATOM 159 CZ TYR A 423 -1.813 -8.174 9.536 1.00 10.00 C ATOM 160 OH TYR A 423 -2.615 -7.343 10.283 1.00 10.00 O ATOM 0 H TYR A 423 0.943 -8.336 6.786 1.00 10.00 H new ATOM 0 HA TYR A 423 2.207 -10.478 5.683 1.00 10.00 H new ATOM 0 HB2 TYR A 423 0.174 -11.704 7.017 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.583 -11.013 7.797 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -1.042 -8.843 6.342 1.00 10.00 H new ATOM 0 HD2 TYR A 423 0.425 -10.656 9.905 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -2.454 -7.359 7.671 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -1.008 -9.176 11.241 1.00 10.00 H new ATOM 0 HH TYR A 423 -2.439 -6.411 10.037 1.00 10.00 H new ATOM 170 N LYS A 424 -0.678 -10.007 4.264 1.00 10.00 N ATOM 171 CA LYS A 424 -1.543 -10.440 3.172 1.00 10.00 C ATOM 172 C LYS A 424 -1.258 -9.624 1.912 1.00 10.00 C ATOM 173 O LYS A 424 -1.593 -10.035 0.802 1.00 10.00 O ATOM 174 CB LYS A 424 -3.014 -10.296 3.568 1.00 10.00 C ATOM 175 CG LYS A 424 -3.595 -11.544 4.211 1.00 10.00 C ATOM 176 CD LYS A 424 -5.096 -11.639 3.985 1.00 10.00 C ATOM 177 CE LYS A 424 -5.870 -10.916 5.075 1.00 10.00 C ATOM 178 NZ LYS A 424 -7.077 -10.229 4.537 1.00 10.00 N ATOM 0 H LYS A 424 -0.907 -9.089 4.645 1.00 10.00 H new ATOM 0 HA LYS A 424 -1.337 -11.490 2.965 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.115 -9.460 4.260 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -3.598 -10.049 2.681 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.107 -12.428 3.799 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.387 -11.534 5.281 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.347 -11.211 3.014 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -5.395 -12.687 3.958 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -6.170 -11.630 5.842 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -5.221 -10.185 5.557 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -7.577 -9.748 5.312 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -6.789 -9.529 3.824 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -7.709 -10.929 4.099 1.00 10.00 H new ATOM 192 N ASP A 425 -0.636 -8.462 2.099 1.00 10.00 N ATOM 193 CA ASP A 425 -0.298 -7.577 0.992 1.00 10.00 C ATOM 194 C ASP A 425 0.838 -8.149 0.142 1.00 10.00 C ATOM 195 O ASP A 425 1.157 -7.614 -0.917 1.00 10.00 O ATOM 196 CB ASP A 425 0.092 -6.199 1.532 1.00 10.00 C ATOM 197 CG ASP A 425 -0.457 -5.062 0.693 1.00 10.00 C ATOM 198 OD1 ASP A 425 -1.321 -5.321 -0.169 1.00 10.00 O ATOM 199 OD2 ASP A 425 -0.023 -3.909 0.901 1.00 10.00 O ATOM 0 H ASP A 425 -0.355 -8.112 3.015 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.176 -7.484 0.353 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -0.272 -6.098 2.555 1.00 10.00 H new ATOM 0 HB3 ASP A 425 1.179 -6.124 1.571 1.00 10.00 H new ATOM 204 N ARG A 426 1.451 -9.238 0.603 1.00 10.00 N ATOM 205 CA ARG A 426 2.542 -9.861 -0.138 1.00 10.00 C ATOM 206 C ARG A 426 2.071 -10.296 -1.522 1.00 10.00 C ATOM 207 O ARG A 426 2.853 -10.342 -2.471 1.00 10.00 O ATOM 208 CB ARG A 426 3.099 -11.060 0.633 1.00 10.00 C ATOM 209 CG ARG A 426 4.616 -11.139 0.619 1.00 10.00 C ATOM 210 CD ARG A 426 5.119 -12.384 1.333 1.00 10.00 C ATOM 211 NE ARG A 426 4.550 -13.608 0.771 1.00 10.00 N ATOM 212 CZ ARG A 426 3.401 -14.150 1.173 1.00 10.00 C ATOM 213 NH1 ARG A 426 2.688 -13.580 2.137 1.00 10.00 N ATOM 214 NH2 ARG A 426 2.963 -15.266 0.607 1.00 10.00 N ATOM 0 H ARG A 426 1.212 -9.703 1.479 1.00 10.00 H new ATOM 0 HA ARG A 426 3.337 -9.125 -0.258 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.755 -11.009 1.666 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.692 -11.977 0.207 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.971 -11.142 -0.412 1.00 10.00 H new ATOM 0 HG3 ARG A 426 5.031 -10.252 1.097 1.00 10.00 H new ATOM 0 HD2 ARG A 426 6.206 -12.426 1.265 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.868 -12.321 2.392 1.00 10.00 H new ATOM 0 HE ARG A 426 5.065 -14.076 0.025 1.00 10.00 H new ATOM 0 HH11 ARG A 426 3.019 -12.721 2.576 1.00 10.00 H new ATOM 0 HH12 ARG A 426 1.810 -14.001 2.439 1.00 10.00 H new ATOM 0 HH21 ARG A 426 3.505 -15.708 -0.135 1.00 10.00 H new ATOM 0 HH22 ARG A 426 2.084 -15.682 0.914 1.00 10.00 H new ATOM 228 N GLN A 427 0.781 -10.598 -1.631 1.00 10.00 N ATOM 229 CA GLN A 427 0.192 -11.011 -2.901 1.00 10.00 C ATOM 230 C GLN A 427 -0.555 -9.840 -3.529 1.00 10.00 C ATOM 231 O GLN A 427 -1.574 -10.013 -4.194 1.00 10.00 O ATOM 232 CB GLN A 427 -0.758 -12.196 -2.695 1.00 10.00 C ATOM 233 CG GLN A 427 -0.300 -13.171 -1.619 1.00 10.00 C ATOM 234 CD GLN A 427 -0.704 -12.735 -0.222 1.00 10.00 C ATOM 235 OE1 GLN A 427 -1.855 -12.368 0.017 1.00 10.00 O ATOM 236 NE2 GLN A 427 0.244 -12.775 0.709 1.00 10.00 N ATOM 0 H GLN A 427 0.122 -10.564 -0.853 1.00 10.00 H new ATOM 0 HA GLN A 427 0.992 -11.326 -3.572 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.745 -11.817 -2.432 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.864 -12.733 -3.638 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -0.721 -14.155 -1.824 1.00 10.00 H new ATOM 0 HG3 GLN A 427 0.784 -13.272 -1.664 1.00 10.00 H new ATOM 0 HE21 GLN A 427 1.185 -13.086 0.466 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.031 -12.495 1.666 1.00 10.00 H new ATOM 245 N VAL A 428 -0.024 -8.647 -3.295 1.00 10.00 N ATOM 246 CA VAL A 428 -0.606 -7.417 -3.813 1.00 10.00 C ATOM 247 C VAL A 428 0.392 -6.680 -4.690 1.00 10.00 C ATOM 248 O VAL A 428 0.009 -6.007 -5.646 1.00 10.00 O ATOM 249 CB VAL A 428 -1.057 -6.506 -2.663 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.315 -5.092 -3.148 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.292 -7.082 -1.992 1.00 10.00 C ATOM 0 H VAL A 428 0.821 -8.505 -2.742 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.475 -7.683 -4.414 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.252 -6.459 -1.930 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.633 -4.472 -2.310 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.401 -4.682 -3.577 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.097 -5.105 -3.907 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.603 -6.427 -1.178 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.098 -7.162 -2.721 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -2.063 -8.071 -1.595 1.00 10.00 H new ATOM 261 N MET A 429 1.673 -6.824 -4.374 1.00 10.00 N ATOM 262 CA MET A 429 2.722 -6.184 -5.163 1.00 10.00 C ATOM 263 C MET A 429 2.476 -6.421 -6.654 1.00 10.00 C ATOM 264 O MET A 429 2.882 -5.623 -7.500 1.00 10.00 O ATOM 265 CB MET A 429 4.095 -6.726 -4.765 1.00 10.00 C ATOM 266 CG MET A 429 4.267 -8.211 -5.045 1.00 10.00 C ATOM 267 SD MET A 429 5.974 -8.760 -4.854 1.00 10.00 S ATOM 268 CE MET A 429 5.727 -10.453 -4.324 1.00 10.00 C ATOM 0 H MET A 429 2.010 -7.373 -3.584 1.00 10.00 H new ATOM 0 HA MET A 429 2.701 -5.112 -4.966 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.865 -6.172 -5.302 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.254 -6.544 -3.702 1.00 10.00 H new ATOM 0 HG2 MET A 429 3.628 -8.781 -4.370 1.00 10.00 H new ATOM 0 HG3 MET A 429 3.931 -8.427 -6.059 1.00 10.00 H new ATOM 0 HE1 MET A 429 6.690 -10.960 -4.267 1.00 10.00 H new ATOM 0 HE2 MET A 429 5.253 -10.462 -3.342 1.00 10.00 H new ATOM 0 HE3 MET A 429 5.087 -10.969 -5.040 1.00 10.00 H new ATOM 278 N ASN A 430 1.794 -7.525 -6.959 1.00 10.00 N ATOM 279 CA ASN A 430 1.469 -7.881 -8.333 1.00 10.00 C ATOM 280 C ASN A 430 -0.044 -8.027 -8.515 1.00 10.00 C ATOM 281 O ASN A 430 -0.505 -8.673 -9.456 1.00 10.00 O ATOM 282 CB ASN A 430 2.164 -9.191 -8.709 1.00 10.00 C ATOM 283 CG ASN A 430 3.592 -8.976 -9.170 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.540 -9.432 -8.530 1.00 10.00 O ATOM 285 ND2 ASN A 430 3.754 -8.277 -10.287 1.00 10.00 N ATOM 0 H ASN A 430 1.455 -8.190 -6.264 1.00 10.00 H new ATOM 0 HA ASN A 430 1.820 -7.083 -8.987 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.160 -9.861 -7.849 1.00 10.00 H new ATOM 0 HB3 ASN A 430 1.600 -9.684 -9.501 1.00 10.00 H new ATOM 0 HD21 ASN A 430 4.692 -8.100 -10.646 1.00 10.00 H new ATOM 0 HD22 ASN A 430 2.940 -7.917 -10.786 1.00 10.00 H new ATOM 292 N MET A 431 -0.813 -7.420 -7.610 1.00 10.00 N ATOM 293 CA MET A 431 -2.273 -7.477 -7.668 1.00 10.00 C ATOM 294 C MET A 431 -2.909 -6.857 -6.427 1.00 10.00 C ATOM 295 O MET A 431 -3.291 -7.566 -5.496 1.00 10.00 O ATOM 296 CB MET A 431 -2.767 -8.921 -7.805 1.00 10.00 C ATOM 297 CG MET A 431 -1.851 -9.953 -7.164 1.00 10.00 C ATOM 298 SD MET A 431 -2.755 -11.366 -6.502 1.00 10.00 S ATOM 299 CE MET A 431 -2.219 -12.662 -7.615 1.00 10.00 C ATOM 0 H MET A 431 -0.446 -6.881 -6.825 1.00 10.00 H new ATOM 0 HA MET A 431 -2.571 -6.905 -8.547 1.00 10.00 H new ATOM 0 HB2 MET A 431 -3.757 -9.000 -7.355 1.00 10.00 H new ATOM 0 HB3 MET A 431 -2.878 -9.157 -8.863 1.00 10.00 H new ATOM 0 HG2 MET A 431 -1.129 -10.302 -7.903 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.283 -9.481 -6.362 1.00 10.00 H new ATOM 0 HE1 MET A 431 -2.694 -13.602 -7.334 1.00 10.00 H new ATOM 0 HE2 MET A 431 -2.500 -12.404 -8.636 1.00 10.00 H new ATOM 0 HE3 MET A 431 -1.136 -12.770 -7.553 1.00 10.00 H new ATOM 309 N TRP A 432 -3.057 -5.541 -6.435 1.00 10.00 N ATOM 310 CA TRP A 432 -3.688 -4.845 -5.320 1.00 10.00 C ATOM 311 C TRP A 432 -5.197 -4.942 -5.473 1.00 10.00 C ATOM 312 O TRP A 432 -5.809 -4.219 -6.259 1.00 10.00 O ATOM 313 CB TRP A 432 -3.245 -3.379 -5.254 1.00 10.00 C ATOM 314 CG TRP A 432 -1.797 -3.144 -5.596 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.195 -3.362 -6.797 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.771 -2.629 -4.730 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.122 -2.985 -6.742 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.408 -2.543 -5.487 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.737 -2.224 -3.397 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.605 -2.066 -4.958 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.449 -1.756 -2.867 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.607 -1.677 -3.647 1.00 10.00 C ATOM 0 H TRP A 432 -2.751 -4.935 -7.196 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.380 -5.316 -4.387 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.865 -2.795 -5.935 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.433 -3.002 -4.249 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.684 -3.773 -7.668 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.782 -3.029 -7.518 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.626 -2.276 -2.787 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.499 -2.006 -5.561 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.483 -1.446 -1.833 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.519 -1.302 -3.206 1.00 10.00 H new ATOM 333 N SER A 433 -5.776 -5.871 -4.732 1.00 10.00 N ATOM 334 CA SER A 433 -7.215 -6.120 -4.785 1.00 10.00 C ATOM 335 C SER A 433 -8.012 -4.884 -4.393 1.00 10.00 C ATOM 336 O SER A 433 -7.565 -4.076 -3.583 1.00 10.00 O ATOM 337 CB SER A 433 -7.583 -7.286 -3.867 1.00 10.00 C ATOM 338 OG SER A 433 -6.694 -8.376 -4.046 1.00 10.00 O ATOM 0 H SER A 433 -5.271 -6.472 -4.080 1.00 10.00 H new ATOM 0 HA SER A 433 -7.469 -6.373 -5.814 1.00 10.00 H new ATOM 0 HB2 SER A 433 -7.556 -6.958 -2.828 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.604 -7.607 -4.073 1.00 10.00 H new ATOM 0 HG SER A 433 -6.949 -9.108 -3.447 1.00 10.00 H new ATOM 344 N GLU A 434 -9.209 -4.753 -4.963 1.00 10.00 N ATOM 345 CA GLU A 434 -10.077 -3.622 -4.657 1.00 10.00 C ATOM 346 C GLU A 434 -10.201 -3.451 -3.147 1.00 10.00 C ATOM 347 O GLU A 434 -10.380 -2.341 -2.646 1.00 10.00 O ATOM 348 CB GLU A 434 -11.460 -3.826 -5.278 1.00 10.00 C ATOM 349 CG GLU A 434 -11.574 -3.296 -6.697 1.00 10.00 C ATOM 350 CD GLU A 434 -12.469 -4.154 -7.570 1.00 10.00 C ATOM 351 OE1 GLU A 434 -12.337 -5.395 -7.516 1.00 10.00 O ATOM 352 OE2 GLU A 434 -13.302 -3.585 -8.308 1.00 10.00 O ATOM 0 H GLU A 434 -9.597 -5.414 -5.636 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.635 -2.720 -5.081 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.696 -4.890 -5.277 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -12.205 -3.333 -4.654 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -11.965 -2.279 -6.671 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -10.580 -3.244 -7.142 1.00 10.00 H new ATOM 359 N GLN A 435 -10.088 -4.566 -2.430 1.00 10.00 N ATOM 360 CA GLN A 435 -10.167 -4.556 -0.979 1.00 10.00 C ATOM 361 C GLN A 435 -8.798 -4.264 -0.379 1.00 10.00 C ATOM 362 O GLN A 435 -8.693 -3.651 0.684 1.00 10.00 O ATOM 363 CB GLN A 435 -10.689 -5.896 -0.462 1.00 10.00 C ATOM 364 CG GLN A 435 -11.469 -5.786 0.838 1.00 10.00 C ATOM 365 CD GLN A 435 -12.965 -5.690 0.613 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.364 -4.926 -0.397 1.00 10.00 O flip ATOM 367 NE2 GLN A 435 -13.754 -6.295 1.340 1.00 10.00 N flip ATOM 0 H GLN A 435 -9.941 -5.490 -2.836 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.861 -3.771 -0.677 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.328 -6.345 -1.222 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -9.847 -6.572 -0.314 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.254 -6.654 1.461 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.131 -4.907 1.387 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -13.403 -6.871 2.105 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.758 -6.220 1.177 1.00 10.00 H new ATOM 376 N GLU A 436 -7.747 -4.690 -1.076 1.00 10.00 N ATOM 377 CA GLU A 436 -6.396 -4.461 -0.627 1.00 10.00 C ATOM 378 C GLU A 436 -6.036 -3.005 -0.853 1.00 10.00 C ATOM 379 O GLU A 436 -5.676 -2.291 0.084 1.00 10.00 O ATOM 380 CB GLU A 436 -5.458 -5.413 -1.368 1.00 10.00 C ATOM 381 CG GLU A 436 -5.064 -6.628 -0.543 1.00 10.00 C ATOM 382 CD GLU A 436 -4.157 -6.278 0.622 1.00 10.00 C ATOM 383 OE1 GLU A 436 -4.311 -5.173 1.183 1.00 10.00 O ATOM 384 OE2 GLU A 436 -3.295 -7.109 0.973 1.00 10.00 O ATOM 0 H GLU A 436 -7.817 -5.198 -1.958 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.299 -4.662 0.440 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.941 -5.747 -2.287 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.558 -4.872 -1.659 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -5.964 -7.112 -0.164 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -4.560 -7.350 -1.186 1.00 10.00 H new ATOM 391 N LYS A 437 -6.187 -2.550 -2.090 1.00 10.00 N ATOM 392 CA LYS A 437 -5.933 -1.153 -2.425 1.00 10.00 C ATOM 393 C LYS A 437 -6.757 -0.255 -1.513 1.00 10.00 C ATOM 394 O LYS A 437 -6.455 0.919 -1.340 1.00 10.00 O ATOM 395 CB LYS A 437 -6.293 -0.885 -3.888 1.00 10.00 C ATOM 396 CG LYS A 437 -5.849 0.481 -4.385 1.00 10.00 C ATOM 397 CD LYS A 437 -5.435 0.435 -5.847 1.00 10.00 C ATOM 398 CE LYS A 437 -6.625 0.645 -6.770 1.00 10.00 C ATOM 399 NZ LYS A 437 -7.275 -0.641 -7.140 1.00 10.00 N ATOM 0 H LYS A 437 -6.484 -3.126 -2.878 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.874 -0.938 -2.283 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -5.838 -1.654 -4.512 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.373 -0.973 -4.010 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -6.661 1.197 -4.258 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -5.014 0.836 -3.780 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -4.685 1.203 -6.038 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -4.970 -0.526 -6.064 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -7.353 1.292 -6.281 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -6.297 1.159 -7.674 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -8.081 -0.454 -7.770 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -6.588 -1.249 -7.629 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -7.611 -1.120 -6.280 1.00 10.00 H new ATOM 413 N GLU A 438 -7.795 -0.831 -0.919 1.00 10.00 N ATOM 414 CA GLU A 438 -8.665 -0.096 -0.018 1.00 10.00 C ATOM 415 C GLU A 438 -7.903 0.394 1.206 1.00 10.00 C ATOM 416 O GLU A 438 -8.267 1.403 1.803 1.00 10.00 O ATOM 417 CB GLU A 438 -9.831 -0.977 0.422 1.00 10.00 C ATOM 418 CG GLU A 438 -11.079 -0.195 0.797 1.00 10.00 C ATOM 419 CD GLU A 438 -11.871 0.254 -0.415 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.328 1.039 -1.221 1.00 10.00 O ATOM 421 OE2 GLU A 438 -13.034 -0.178 -0.559 1.00 10.00 O ATOM 0 H GLU A 438 -8.053 -1.809 -1.048 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.047 0.772 -0.555 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.075 -1.670 -0.383 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.519 -1.578 1.276 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -11.713 -0.813 1.433 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -10.794 0.678 1.384 1.00 10.00 H new ATOM 428 N THR A 439 -6.855 -0.327 1.589 1.00 10.00 N ATOM 429 CA THR A 439 -6.071 0.059 2.758 1.00 10.00 C ATOM 430 C THR A 439 -4.960 1.041 2.395 1.00 10.00 C ATOM 431 O THR A 439 -4.813 2.085 3.031 1.00 10.00 O ATOM 432 CB THR A 439 -5.484 -1.179 3.437 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.517 -2.049 3.867 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.632 -0.850 4.644 1.00 10.00 C ATOM 0 H THR A 439 -6.531 -1.170 1.115 1.00 10.00 H new ATOM 0 HA THR A 439 -6.743 0.563 3.453 1.00 10.00 H new ATOM 0 HB THR A 439 -4.854 -1.653 2.684 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.840 -2.575 3.106 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.246 -1.772 5.079 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.799 -0.216 4.340 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.236 -0.325 5.384 1.00 10.00 H new ATOM 442 N PHE A 440 -4.180 0.707 1.376 1.00 10.00 N ATOM 443 CA PHE A 440 -3.087 1.562 0.939 1.00 10.00 C ATOM 444 C PHE A 440 -3.627 2.796 0.225 1.00 10.00 C ATOM 445 O PHE A 440 -3.065 3.885 0.342 1.00 10.00 O ATOM 446 CB PHE A 440 -2.139 0.787 0.017 1.00 10.00 C ATOM 447 CG PHE A 440 -2.506 -0.647 -0.160 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.416 -1.554 0.881 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.964 -1.081 -1.379 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.782 -2.866 0.692 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.326 -2.384 -1.574 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.236 -3.272 -0.544 1.00 10.00 C ATOM 0 H PHE A 440 -4.285 -0.152 0.836 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.531 1.886 1.818 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.122 1.271 -0.960 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.128 0.846 0.420 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -2.057 -1.230 1.847 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.039 -0.381 -2.198 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.714 -3.573 1.506 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.682 -2.709 -2.540 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.523 -4.302 -0.698 1.00 10.00 H new ATOM 462 N ARG A 441 -4.728 2.626 -0.506 1.00 10.00 N ATOM 463 CA ARG A 441 -5.336 3.742 -1.219 1.00 10.00 C ATOM 464 C ARG A 441 -6.098 4.640 -0.249 1.00 10.00 C ATOM 465 O ARG A 441 -6.311 5.821 -0.520 1.00 10.00 O ATOM 466 CB ARG A 441 -6.279 3.252 -2.320 1.00 10.00 C ATOM 467 CG ARG A 441 -6.608 4.315 -3.355 1.00 10.00 C ATOM 468 CD ARG A 441 -7.806 5.149 -2.935 1.00 10.00 C ATOM 469 NE ARG A 441 -8.638 5.527 -4.076 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.470 4.692 -4.695 1.00 10.00 C ATOM 471 NH1 ARG A 441 -9.585 3.435 -4.287 1.00 10.00 N ATOM 472 NH2 ARG A 441 -10.189 5.117 -5.725 1.00 10.00 N ATOM 0 H ARG A 441 -5.211 1.735 -0.618 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.533 4.314 -1.685 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.826 2.397 -2.821 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.205 2.901 -1.864 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.744 4.964 -3.499 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.813 3.839 -4.314 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.406 4.587 -2.219 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -7.461 6.048 -2.425 1.00 10.00 H new ATOM 0 HE ARG A 441 -8.578 6.486 -4.418 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.034 3.103 -3.495 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -10.224 2.800 -4.765 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -10.104 6.083 -6.042 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -10.827 4.478 -6.200 1.00 10.00 H new ATOM 486 N GLU A 442 -6.501 4.074 0.891 1.00 10.00 N ATOM 487 CA GLU A 442 -7.230 4.834 1.898 1.00 10.00 C ATOM 488 C GLU A 442 -6.261 5.569 2.809 1.00 10.00 C ATOM 489 O GLU A 442 -6.525 6.696 3.229 1.00 10.00 O ATOM 490 CB GLU A 442 -8.135 3.917 2.723 1.00 10.00 C ATOM 491 CG GLU A 442 -8.866 4.632 3.849 1.00 10.00 C ATOM 492 CD GLU A 442 -10.223 4.023 4.140 1.00 10.00 C ATOM 493 OE1 GLU A 442 -11.172 4.293 3.374 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.339 3.276 5.135 1.00 10.00 O ATOM 0 H GLU A 442 -6.334 3.098 1.135 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.856 5.564 1.385 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.868 3.454 2.062 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.534 3.112 3.146 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.256 4.600 4.752 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -8.992 5.682 3.587 1.00 10.00 H new ATOM 501 N LYS A 443 -5.128 4.937 3.099 1.00 10.00 N ATOM 502 CA LYS A 443 -4.122 5.549 3.942 1.00 10.00 C ATOM 503 C LYS A 443 -3.423 6.654 3.172 1.00 10.00 C ATOM 504 O LYS A 443 -3.222 7.750 3.683 1.00 10.00 O ATOM 505 CB LYS A 443 -3.110 4.506 4.415 1.00 10.00 C ATOM 506 CG LYS A 443 -3.667 3.542 5.451 1.00 10.00 C ATOM 507 CD LYS A 443 -3.406 4.033 6.865 1.00 10.00 C ATOM 508 CE LYS A 443 -4.325 3.356 7.868 1.00 10.00 C ATOM 509 NZ LYS A 443 -5.520 4.189 8.180 1.00 10.00 N ATOM 0 H LYS A 443 -4.889 4.005 2.761 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.605 5.974 4.822 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.758 3.937 3.554 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.244 5.017 4.835 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -4.740 3.422 5.298 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.214 2.560 5.316 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -2.367 3.839 7.133 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.550 5.113 6.909 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.648 2.393 7.472 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -3.774 3.154 8.786 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -5.983 3.825 9.037 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -5.225 5.174 8.338 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -6.187 4.151 7.383 1.00 10.00 H new ATOM 523 N PHE A 444 -3.086 6.370 1.918 1.00 10.00 N ATOM 524 CA PHE A 444 -2.443 7.354 1.068 1.00 10.00 C ATOM 525 C PHE A 444 -3.404 8.502 0.841 1.00 10.00 C ATOM 526 O PHE A 444 -2.999 9.657 0.711 1.00 10.00 O ATOM 527 CB PHE A 444 -2.006 6.709 -0.246 1.00 10.00 C ATOM 528 CG PHE A 444 -1.205 7.618 -1.132 1.00 10.00 C ATOM 529 CD1 PHE A 444 -1.797 8.704 -1.754 1.00 10.00 C ATOM 530 CD2 PHE A 444 0.142 7.380 -1.343 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.058 9.538 -2.572 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.887 8.209 -2.159 1.00 10.00 C ATOM 533 CZ PHE A 444 0.287 9.289 -2.774 1.00 10.00 C ATOM 0 H PHE A 444 -3.249 5.467 1.473 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.545 7.742 1.549 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.415 5.820 -0.024 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.891 6.376 -0.788 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -2.847 8.902 -1.598 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.616 6.536 -0.864 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -1.530 10.382 -3.052 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.937 8.012 -2.315 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.867 9.939 -3.412 1.00 10.00 H new ATOM 543 N MET A 445 -4.693 8.178 0.864 1.00 10.00 N ATOM 544 CA MET A 445 -5.721 9.187 0.736 1.00 10.00 C ATOM 545 C MET A 445 -5.841 9.905 2.076 1.00 10.00 C ATOM 546 O MET A 445 -6.134 11.098 2.147 1.00 10.00 O ATOM 547 CB MET A 445 -7.059 8.558 0.340 1.00 10.00 C ATOM 548 CG MET A 445 -8.184 9.569 0.189 1.00 10.00 C ATOM 549 SD MET A 445 -8.347 10.181 -1.499 1.00 10.00 S ATOM 550 CE MET A 445 -9.223 11.717 -1.219 1.00 10.00 C ATOM 0 H MET A 445 -5.043 7.226 0.970 1.00 10.00 H new ATOM 0 HA MET A 445 -5.453 9.894 -0.049 1.00 10.00 H new ATOM 0 HB2 MET A 445 -6.935 8.022 -0.601 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.342 7.821 1.092 1.00 10.00 H new ATOM 0 HG2 MET A 445 -9.123 9.110 0.497 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.005 10.409 0.860 1.00 10.00 H new ATOM 0 HE1 MET A 445 -9.399 12.215 -2.173 1.00 10.00 H new ATOM 0 HE2 MET A 445 -10.178 11.508 -0.737 1.00 10.00 H new ATOM 0 HE3 MET A 445 -8.626 12.364 -0.577 1.00 10.00 H new ATOM 560 N GLN A 446 -5.567 9.144 3.139 1.00 10.00 N ATOM 561 CA GLN A 446 -5.586 9.651 4.503 1.00 10.00 C ATOM 562 C GLN A 446 -4.407 10.584 4.718 1.00 10.00 C ATOM 563 O GLN A 446 -4.499 11.589 5.421 1.00 10.00 O ATOM 564 CB GLN A 446 -5.473 8.480 5.484 1.00 10.00 C ATOM 565 CG GLN A 446 -5.893 8.824 6.903 1.00 10.00 C ATOM 566 CD GLN A 446 -6.604 7.677 7.594 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.251 7.294 8.709 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.612 7.121 6.931 1.00 10.00 N ATOM 0 H GLN A 446 -5.325 8.155 3.071 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.519 10.190 4.671 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.088 7.656 5.123 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.442 8.127 5.496 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.012 9.102 7.482 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.549 9.694 6.883 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.870 7.471 6.008 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.128 6.344 7.345 1.00 10.00 H new ATOM 577 N HIS A 447 -3.292 10.210 4.109 1.00 10.00 N ATOM 578 CA HIS A 447 -2.054 10.957 4.210 1.00 10.00 C ATOM 579 C HIS A 447 -1.734 11.642 2.879 1.00 10.00 C ATOM 580 O HIS A 447 -1.125 11.041 1.995 1.00 10.00 O ATOM 581 CB HIS A 447 -0.939 9.994 4.624 1.00 10.00 C ATOM 582 CG HIS A 447 -1.338 9.109 5.770 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.665 7.786 5.821 1.00 10.00 N flip ATOM 584 CD2 HIS A 447 -1.485 9.581 7.057 1.00 10.00 C flip ATOM 585 CE1 HIS A 447 -2.000 7.502 7.121 1.00 10.00 C flip ATOM 586 NE2 HIS A 447 -1.882 8.600 7.844 1.00 10.00 N flip ATOM 0 H HIS A 447 -3.223 9.374 3.528 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.148 11.741 4.962 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.663 9.375 3.770 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.054 10.566 4.902 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.661 7.131 5.039 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.303 10.598 7.372 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.310 6.536 7.492 1.00 10.00 H new ATOM 595 N PRO A 448 -2.165 12.910 2.716 1.00 10.00 N ATOM 596 CA PRO A 448 -1.953 13.685 1.493 1.00 10.00 C ATOM 597 C PRO A 448 -0.586 13.453 0.856 1.00 10.00 C ATOM 598 O PRO A 448 0.409 14.057 1.257 1.00 10.00 O ATOM 599 CB PRO A 448 -2.090 15.146 1.954 1.00 10.00 C ATOM 600 CG PRO A 448 -2.462 15.100 3.407 1.00 10.00 C ATOM 601 CD PRO A 448 -2.911 13.696 3.701 1.00 10.00 C ATOM 0 HA PRO A 448 -2.665 13.396 0.720 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -1.155 15.688 1.810 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.853 15.666 1.374 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -1.611 15.372 4.032 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -3.257 15.813 3.624 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.672 13.399 4.722 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.988 13.581 3.580 1.00 10.00 H new ATOM 609 N LYS A 449 -0.555 12.582 -0.151 1.00 10.00 N ATOM 610 CA LYS A 449 0.677 12.263 -0.873 1.00 10.00 C ATOM 611 C LYS A 449 1.861 12.091 0.074 1.00 10.00 C ATOM 612 O LYS A 449 2.503 13.065 0.465 1.00 10.00 O ATOM 613 CB LYS A 449 0.987 13.360 -1.894 1.00 10.00 C ATOM 614 CG LYS A 449 0.000 13.413 -3.048 1.00 10.00 C ATOM 615 CD LYS A 449 0.111 14.720 -3.816 1.00 10.00 C ATOM 616 CE LYS A 449 1.459 14.847 -4.508 1.00 10.00 C ATOM 617 NZ LYS A 449 1.973 16.244 -4.470 1.00 10.00 N ATOM 0 H LYS A 449 -1.377 12.080 -0.488 1.00 10.00 H new ATOM 0 HA LYS A 449 0.520 11.315 -1.388 1.00 10.00 H new ATOM 0 HB2 LYS A 449 0.993 14.325 -1.387 1.00 10.00 H new ATOM 0 HB3 LYS A 449 1.990 13.202 -2.291 1.00 10.00 H new ATOM 0 HG2 LYS A 449 0.182 12.577 -3.723 1.00 10.00 H new ATOM 0 HG3 LYS A 449 -1.015 13.299 -2.666 1.00 10.00 H new ATOM 0 HD2 LYS A 449 -0.686 14.777 -4.557 1.00 10.00 H new ATOM 0 HD3 LYS A 449 -0.029 15.558 -3.133 1.00 10.00 H new ATOM 0 HE2 LYS A 449 2.178 14.183 -4.028 1.00 10.00 H new ATOM 0 HE3 LYS A 449 1.367 14.522 -5.544 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 2.893 16.288 -4.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 1.300 16.875 -4.950 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 2.085 16.546 -3.481 1.00 10.00 H new ATOM 631 N ASN A 450 2.153 10.845 0.432 1.00 10.00 N ATOM 632 CA ASN A 450 3.267 10.558 1.325 1.00 10.00 C ATOM 633 C ASN A 450 3.992 9.284 0.913 1.00 10.00 C ATOM 634 O ASN A 450 5.202 9.293 0.686 1.00 10.00 O ATOM 635 CB ASN A 450 2.782 10.442 2.775 1.00 10.00 C ATOM 636 CG ASN A 450 1.611 9.490 2.928 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.743 9.414 2.058 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.581 8.755 4.035 1.00 10.00 N ATOM 0 H ASN A 450 1.637 10.023 0.119 1.00 10.00 H new ATOM 0 HA ASN A 450 3.969 11.388 1.253 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.606 10.102 3.403 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.492 11.429 3.137 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.818 8.096 4.189 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.321 8.850 4.730 1.00 10.00 H new ATOM 645 N PHE A 451 3.251 8.184 0.837 1.00 10.00 N ATOM 646 CA PHE A 451 3.828 6.895 0.472 1.00 10.00 C ATOM 647 C PHE A 451 4.800 6.409 1.550 1.00 10.00 C ATOM 648 O PHE A 451 5.373 5.327 1.434 1.00 10.00 O ATOM 649 CB PHE A 451 4.544 6.987 -0.885 1.00 10.00 C ATOM 650 CG PHE A 451 3.835 6.307 -2.035 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.647 5.613 -1.850 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.369 6.373 -3.314 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.010 5.003 -2.912 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.735 5.762 -4.379 1.00 10.00 C ATOM 655 CZ PHE A 451 2.554 5.077 -4.178 1.00 10.00 C ATOM 0 H PHE A 451 2.248 8.159 1.023 1.00 10.00 H new ATOM 0 HA PHE A 451 3.015 6.173 0.389 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.681 8.039 -1.135 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.538 6.551 -0.783 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.215 5.549 -0.862 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.292 6.909 -3.479 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.086 4.468 -2.752 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.164 5.821 -5.369 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.057 4.600 -5.010 1.00 10.00 H new ATOM 665 N GLY A 452 4.971 7.207 2.605 1.00 10.00 N ATOM 666 CA GLY A 452 5.857 6.832 3.687 1.00 10.00 C ATOM 667 C GLY A 452 5.127 6.054 4.758 1.00 10.00 C ATOM 668 O GLY A 452 5.573 4.983 5.168 1.00 10.00 O ATOM 0 H GLY A 452 4.508 8.108 2.725 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.677 6.231 3.295 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.299 7.728 4.124 1.00 10.00 H new ATOM 672 N LEU A 453 3.989 6.584 5.203 1.00 10.00 N ATOM 673 CA LEU A 453 3.196 5.909 6.220 1.00 10.00 C ATOM 674 C LEU A 453 2.698 4.580 5.688 1.00 10.00 C ATOM 675 O LEU A 453 2.921 3.533 6.295 1.00 10.00 O ATOM 676 CB LEU A 453 2.004 6.757 6.660 1.00 10.00 C ATOM 677 CG LEU A 453 1.010 6.020 7.560 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.406 6.964 8.583 1.00 10.00 C ATOM 679 CD2 LEU A 453 -0.073 5.346 6.722 1.00 10.00 C ATOM 0 H LEU A 453 3.601 7.469 4.877 1.00 10.00 H new ATOM 0 HA LEU A 453 3.838 5.747 7.086 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.373 7.636 7.188 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.479 7.114 5.774 1.00 10.00 H new ATOM 0 HG LEU A 453 1.547 5.243 8.103 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.297 6.418 9.211 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.198 7.383 9.204 1.00 10.00 H new ATOM 0 HD13 LEU A 453 -0.117 7.771 8.069 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.771 4.827 7.379 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.609 6.100 6.146 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.387 4.629 6.042 1.00 10.00 H new ATOM 691 N ILE A 454 2.035 4.623 4.539 1.00 10.00 N ATOM 692 CA ILE A 454 1.527 3.415 3.920 1.00 10.00 C ATOM 693 C ILE A 454 2.652 2.409 3.770 1.00 10.00 C ATOM 694 O ILE A 454 2.556 1.276 4.235 1.00 10.00 O ATOM 695 CB ILE A 454 0.877 3.725 2.559 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.454 4.413 2.799 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.695 2.464 1.724 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.361 5.913 2.653 1.00 10.00 C ATOM 0 H ILE A 454 1.839 5.480 4.022 1.00 10.00 H new ATOM 0 HA ILE A 454 0.755 2.987 4.560 1.00 10.00 H new ATOM 0 HB ILE A 454 1.535 4.384 1.993 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.191 4.027 2.095 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.811 4.169 3.800 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.234 2.722 0.771 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.666 2.003 1.544 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.055 1.763 2.259 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.340 6.358 2.835 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.355 6.305 3.375 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.032 6.161 1.644 1.00 10.00 H new ATOM 710 N ALA A 455 3.741 2.860 3.167 1.00 10.00 N ATOM 711 CA ALA A 455 4.924 2.029 2.995 1.00 10.00 C ATOM 712 C ALA A 455 5.453 1.567 4.351 1.00 10.00 C ATOM 713 O ALA A 455 6.326 0.702 4.425 1.00 10.00 O ATOM 714 CB ALA A 455 6.002 2.794 2.241 1.00 10.00 C ATOM 0 H ALA A 455 3.831 3.802 2.786 1.00 10.00 H new ATOM 0 HA ALA A 455 4.648 1.150 2.413 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.881 2.160 2.120 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.625 3.083 1.260 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.274 3.688 2.802 1.00 10.00 H new ATOM 720 N SER A 456 4.916 2.152 5.422 1.00 10.00 N ATOM 721 CA SER A 456 5.330 1.805 6.774 1.00 10.00 C ATOM 722 C SER A 456 4.465 0.683 7.338 1.00 10.00 C ATOM 723 O SER A 456 4.966 -0.210 8.021 1.00 10.00 O ATOM 724 CB SER A 456 5.252 3.030 7.686 1.00 10.00 C ATOM 725 OG SER A 456 6.138 2.906 8.785 1.00 10.00 O ATOM 0 H SER A 456 4.192 2.869 5.375 1.00 10.00 H new ATOM 0 HA SER A 456 6.362 1.458 6.731 1.00 10.00 H new ATOM 0 HB2 SER A 456 5.497 3.927 7.117 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.232 3.152 8.050 1.00 10.00 H new ATOM 0 HG SER A 456 6.070 3.703 9.352 1.00 10.00 H new ATOM 731 N PHE A 457 3.166 0.727 7.048 1.00 10.00 N ATOM 732 CA PHE A 457 2.256 -0.301 7.536 1.00 10.00 C ATOM 733 C PHE A 457 2.282 -1.519 6.609 1.00 10.00 C ATOM 734 O PHE A 457 2.064 -2.647 7.048 1.00 10.00 O ATOM 735 CB PHE A 457 0.832 0.262 7.698 1.00 10.00 C ATOM 736 CG PHE A 457 0.003 0.250 6.446 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.477 -0.945 5.934 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.296 1.431 5.779 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.236 -0.965 4.785 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.058 1.414 4.630 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.527 0.219 4.132 1.00 10.00 C ATOM 0 H PHE A 457 2.726 1.455 6.485 1.00 10.00 H new ATOM 0 HA PHE A 457 2.590 -0.626 8.521 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.314 -0.314 8.465 1.00 10.00 H new ATOM 0 HB3 PHE A 457 0.901 1.287 8.061 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.253 -1.871 6.442 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.072 2.371 6.164 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.603 -1.903 4.395 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.287 2.338 4.120 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.122 0.206 3.231 1.00 10.00 H new ATOM 751 N LEU A 458 2.581 -1.283 5.331 1.00 10.00 N ATOM 752 CA LEU A 458 2.670 -2.366 4.352 1.00 10.00 C ATOM 753 C LEU A 458 4.076 -2.414 3.752 1.00 10.00 C ATOM 754 O LEU A 458 4.249 -2.402 2.536 1.00 10.00 O ATOM 755 CB LEU A 458 1.616 -2.208 3.246 1.00 10.00 C ATOM 756 CG LEU A 458 1.402 -0.786 2.717 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.696 -0.221 2.153 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.309 -0.771 1.655 1.00 10.00 C ATOM 0 H LEU A 458 2.765 -0.355 4.951 1.00 10.00 H new ATOM 0 HA LEU A 458 2.470 -3.307 4.865 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.899 -2.847 2.409 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.664 -2.580 3.624 1.00 10.00 H new ATOM 0 HG LEU A 458 1.087 -0.156 3.549 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.521 0.789 1.783 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.453 -0.195 2.936 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.042 -0.852 1.335 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.170 0.247 1.290 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.598 -1.417 0.826 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.624 -1.132 2.088 1.00 10.00 H new ATOM 770 N GLU A 459 5.073 -2.448 4.634 1.00 10.00 N ATOM 771 CA GLU A 459 6.488 -2.475 4.245 1.00 10.00 C ATOM 772 C GLU A 459 6.738 -3.269 2.962 1.00 10.00 C ATOM 773 O GLU A 459 7.547 -2.864 2.127 1.00 10.00 O ATOM 774 CB GLU A 459 7.329 -3.060 5.380 1.00 10.00 C ATOM 775 CG GLU A 459 8.825 -2.875 5.187 1.00 10.00 C ATOM 776 CD GLU A 459 9.600 -3.006 6.484 1.00 10.00 C ATOM 777 OE1 GLU A 459 9.278 -3.914 7.279 1.00 10.00 O ATOM 778 OE2 GLU A 459 10.530 -2.201 6.704 1.00 10.00 O ATOM 0 H GLU A 459 4.925 -2.458 5.643 1.00 10.00 H new ATOM 0 HA GLU A 459 6.781 -1.444 4.048 1.00 10.00 H new ATOM 0 HB2 GLU A 459 7.032 -2.593 6.319 1.00 10.00 H new ATOM 0 HB3 GLU A 459 7.112 -4.124 5.471 1.00 10.00 H new ATOM 0 HG2 GLU A 459 9.190 -3.614 4.474 1.00 10.00 H new ATOM 0 HG3 GLU A 459 9.013 -1.893 4.753 1.00 10.00 H new ATOM 785 N ARG A 460 6.054 -4.399 2.808 1.00 10.00 N ATOM 786 CA ARG A 460 6.224 -5.237 1.623 1.00 10.00 C ATOM 787 C ARG A 460 6.147 -4.403 0.345 1.00 10.00 C ATOM 788 O ARG A 460 6.743 -4.754 -0.675 1.00 10.00 O ATOM 789 CB ARG A 460 5.167 -6.345 1.597 1.00 10.00 C ATOM 790 CG ARG A 460 5.719 -7.719 1.949 1.00 10.00 C ATOM 791 CD ARG A 460 4.952 -8.355 3.097 1.00 10.00 C ATOM 792 NE ARG A 460 5.622 -8.156 4.379 1.00 10.00 N ATOM 793 CZ ARG A 460 5.387 -8.893 5.462 1.00 10.00 C ATOM 794 NH1 ARG A 460 4.498 -9.878 5.423 1.00 10.00 N ATOM 795 NH2 ARG A 460 6.043 -8.645 6.587 1.00 10.00 N ATOM 0 H ARG A 460 5.379 -4.755 3.485 1.00 10.00 H new ATOM 0 HA ARG A 460 7.213 -5.694 1.672 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.370 -6.092 2.296 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.719 -6.386 0.604 1.00 10.00 H new ATOM 0 HG2 ARG A 460 5.668 -8.367 1.074 1.00 10.00 H new ATOM 0 HG3 ARG A 460 6.771 -7.630 2.219 1.00 10.00 H new ATOM 0 HD2 ARG A 460 3.949 -7.930 3.142 1.00 10.00 H new ATOM 0 HD3 ARG A 460 4.838 -9.423 2.909 1.00 10.00 H new ATOM 0 HE ARG A 460 6.311 -7.407 4.449 1.00 10.00 H new ATOM 0 HH11 ARG A 460 3.991 -10.073 4.560 1.00 10.00 H new ATOM 0 HH12 ARG A 460 4.322 -10.440 6.256 1.00 10.00 H new ATOM 0 HH21 ARG A 460 6.727 -7.890 6.622 1.00 10.00 H new ATOM 0 HH22 ARG A 460 5.863 -9.210 7.417 1.00 10.00 H new ATOM 809 N LYS A 461 5.416 -3.295 0.412 1.00 10.00 N ATOM 810 CA LYS A 461 5.264 -2.404 -0.733 1.00 10.00 C ATOM 811 C LYS A 461 5.740 -0.999 -0.381 1.00 10.00 C ATOM 812 O LYS A 461 4.933 -0.092 -0.172 1.00 10.00 O ATOM 813 CB LYS A 461 3.805 -2.363 -1.209 1.00 10.00 C ATOM 814 CG LYS A 461 2.797 -2.917 -0.204 1.00 10.00 C ATOM 815 CD LYS A 461 2.853 -4.437 -0.097 1.00 10.00 C ATOM 816 CE LYS A 461 2.946 -5.108 -1.458 1.00 10.00 C ATOM 817 NZ LYS A 461 1.879 -4.638 -2.385 1.00 10.00 N ATOM 0 H LYS A 461 4.918 -2.992 1.249 1.00 10.00 H new ATOM 0 HA LYS A 461 5.878 -2.792 -1.545 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.540 -1.331 -1.440 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.722 -2.929 -2.137 1.00 10.00 H new ATOM 0 HG2 LYS A 461 2.988 -2.480 0.776 1.00 10.00 H new ATOM 0 HG3 LYS A 461 1.792 -2.614 -0.498 1.00 10.00 H new ATOM 0 HD2 LYS A 461 3.713 -4.725 0.507 1.00 10.00 H new ATOM 0 HD3 LYS A 461 1.964 -4.795 0.422 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.923 -4.905 -1.897 1.00 10.00 H new ATOM 0 HE3 LYS A 461 2.870 -6.188 -1.336 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 1.326 -5.453 -2.719 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 1.252 -3.975 -1.885 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 2.313 -4.157 -3.199 1.00 10.00 H new ATOM 831 N THR A 462 7.056 -0.827 -0.312 1.00 10.00 N ATOM 832 CA THR A 462 7.647 0.466 0.021 1.00 10.00 C ATOM 833 C THR A 462 7.138 1.563 -0.910 1.00 10.00 C ATOM 834 O THR A 462 6.307 1.314 -1.784 1.00 10.00 O ATOM 835 CB THR A 462 9.173 0.386 -0.055 1.00 10.00 C ATOM 836 OG1 THR A 462 9.588 -0.076 -1.327 1.00 10.00 O ATOM 837 CG2 THR A 462 9.776 -0.531 0.988 1.00 10.00 C ATOM 0 H THR A 462 7.736 -1.568 -0.483 1.00 10.00 H new ATOM 0 HA THR A 462 7.350 0.717 1.039 1.00 10.00 H new ATOM 0 HB THR A 462 9.526 1.401 0.130 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.567 -0.119 -1.356 1.00 10.00 H new ATOM 0 HG21 THR A 462 10.860 -0.543 0.879 1.00 10.00 H new ATOM 0 HG22 THR A 462 9.515 -0.171 1.983 1.00 10.00 H new ATOM 0 HG23 THR A 462 9.387 -1.540 0.854 1.00 10.00 H new ATOM 845 N VAL A 463 7.645 2.777 -0.716 1.00 10.00 N ATOM 846 CA VAL A 463 7.245 3.916 -1.537 1.00 10.00 C ATOM 847 C VAL A 463 7.440 3.617 -3.021 1.00 10.00 C ATOM 848 O VAL A 463 6.489 3.654 -3.802 1.00 10.00 O ATOM 849 CB VAL A 463 8.045 5.183 -1.162 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.655 6.357 -2.051 1.00 10.00 C ATOM 851 CG2 VAL A 463 7.841 5.526 0.308 1.00 10.00 C ATOM 0 H VAL A 463 8.334 2.998 0.003 1.00 10.00 H new ATOM 0 HA VAL A 463 6.187 4.095 -1.345 1.00 10.00 H new ATOM 0 HB VAL A 463 9.103 4.978 -1.324 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.233 7.237 -1.766 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.861 6.109 -3.092 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.592 6.567 -1.931 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.412 6.421 0.555 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.783 5.707 0.496 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.183 4.696 0.926 1.00 10.00 H new ATOM 861 N ALA A 464 8.676 3.316 -3.403 1.00 10.00 N ATOM 862 CA ALA A 464 8.991 3.007 -4.792 1.00 10.00 C ATOM 863 C ALA A 464 8.296 1.725 -5.240 1.00 10.00 C ATOM 864 O ALA A 464 8.066 1.516 -6.431 1.00 10.00 O ATOM 865 CB ALA A 464 10.496 2.886 -4.978 1.00 10.00 C ATOM 0 H ALA A 464 9.475 3.279 -2.771 1.00 10.00 H new ATOM 0 HA ALA A 464 8.624 3.825 -5.412 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.716 2.655 -6.020 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.973 3.828 -4.706 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.878 2.088 -4.341 1.00 10.00 H new ATOM 871 N GLU A 465 7.964 0.868 -4.278 1.00 10.00 N ATOM 872 CA GLU A 465 7.297 -0.394 -4.575 1.00 10.00 C ATOM 873 C GLU A 465 5.776 -0.232 -4.584 1.00 10.00 C ATOM 874 O GLU A 465 5.054 -1.141 -4.995 1.00 10.00 O ATOM 875 CB GLU A 465 7.699 -1.459 -3.555 1.00 10.00 C ATOM 876 CG GLU A 465 7.315 -2.872 -3.966 1.00 10.00 C ATOM 877 CD GLU A 465 8.182 -3.408 -5.088 1.00 10.00 C ATOM 878 OE1 GLU A 465 8.815 -2.592 -5.792 1.00 10.00 O ATOM 879 OE2 GLU A 465 8.229 -4.644 -5.264 1.00 10.00 O ATOM 0 H GLU A 465 8.146 1.025 -3.287 1.00 10.00 H new ATOM 0 HA GLU A 465 7.612 -0.710 -5.570 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.777 -1.415 -3.402 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.231 -1.228 -2.598 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.395 -3.532 -3.102 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.271 -2.884 -4.281 1.00 10.00 H new ATOM 886 N CYS A 466 5.291 0.924 -4.135 1.00 10.00 N ATOM 887 CA CYS A 466 3.859 1.183 -4.102 1.00 10.00 C ATOM 888 C CYS A 466 3.397 1.831 -5.404 1.00 10.00 C ATOM 889 O CYS A 466 2.225 1.740 -5.768 1.00 10.00 O ATOM 890 CB CYS A 466 3.500 2.072 -2.911 1.00 10.00 C ATOM 891 SG CYS A 466 1.793 1.893 -2.345 1.00 10.00 S ATOM 0 H CYS A 466 5.868 1.691 -3.791 1.00 10.00 H new ATOM 0 HA CYS A 466 3.345 0.228 -3.990 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.172 1.842 -2.084 1.00 10.00 H new ATOM 0 HB3 CYS A 466 3.674 3.113 -3.183 1.00 10.00 H new ATOM 0 HG CYS A 466 1.263 3.069 -2.185 1.00 10.00 H new ATOM 897 N VAL A 467 4.327 2.468 -6.113 1.00 10.00 N ATOM 898 CA VAL A 467 4.007 3.108 -7.385 1.00 10.00 C ATOM 899 C VAL A 467 3.313 2.118 -8.314 1.00 10.00 C ATOM 900 O VAL A 467 2.571 2.506 -9.214 1.00 10.00 O ATOM 901 CB VAL A 467 5.271 3.655 -8.080 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.933 4.223 -9.454 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.942 4.708 -7.212 1.00 10.00 C ATOM 0 H VAL A 467 5.303 2.554 -5.829 1.00 10.00 H new ATOM 0 HA VAL A 467 3.342 3.944 -7.170 1.00 10.00 H new ATOM 0 HB VAL A 467 5.968 2.829 -8.220 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.840 4.602 -9.924 1.00 10.00 H new ATOM 0 HG12 VAL A 467 4.503 3.438 -10.076 1.00 10.00 H new ATOM 0 HG13 VAL A 467 4.214 5.035 -9.345 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.832 5.083 -7.717 1.00 10.00 H new ATOM 0 HG22 VAL A 467 5.249 5.531 -7.038 1.00 10.00 H new ATOM 0 HG23 VAL A 467 6.226 4.265 -6.257 1.00 10.00 H new ATOM 913 N LEU A 468 3.556 0.833 -8.082 1.00 10.00 N ATOM 914 CA LEU A 468 2.953 -0.213 -8.890 1.00 10.00 C ATOM 915 C LEU A 468 1.445 -0.296 -8.654 1.00 10.00 C ATOM 916 O LEU A 468 0.745 -1.042 -9.336 1.00 10.00 O ATOM 917 CB LEU A 468 3.614 -1.558 -8.580 1.00 10.00 C ATOM 918 CG LEU A 468 4.344 -2.208 -9.757 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.444 -1.292 -10.273 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.920 -3.555 -9.347 1.00 10.00 C ATOM 0 H LEU A 468 4.167 0.493 -7.340 1.00 10.00 H new ATOM 0 HA LEU A 468 3.113 0.032 -9.940 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.324 -1.417 -7.765 1.00 10.00 H new ATOM 0 HB3 LEU A 468 2.849 -2.247 -8.221 1.00 10.00 H new ATOM 0 HG LEU A 468 3.626 -2.371 -10.561 1.00 10.00 H new ATOM 0 HD11 LEU A 468 5.953 -1.770 -11.110 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.007 -0.350 -10.604 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.161 -1.099 -9.475 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.436 -4.004 -10.196 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.624 -3.415 -8.527 1.00 10.00 H new ATOM 0 HD23 LEU A 468 4.113 -4.213 -9.024 1.00 10.00 H new ATOM 932 N TYR A 469 0.948 0.470 -7.682 1.00 10.00 N ATOM 933 CA TYR A 469 -0.473 0.478 -7.367 1.00 10.00 C ATOM 934 C TYR A 469 -1.100 1.836 -7.677 1.00 10.00 C ATOM 935 O TYR A 469 -2.321 1.961 -7.719 1.00 10.00 O ATOM 936 CB TYR A 469 -0.685 0.075 -5.893 1.00 10.00 C ATOM 937 CG TYR A 469 -1.279 1.121 -4.967 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.872 2.448 -5.018 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.245 0.769 -4.023 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.402 3.394 -4.169 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.777 1.715 -3.169 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.351 3.025 -3.249 1.00 10.00 C ATOM 943 OH TYR A 469 -2.871 3.968 -2.398 1.00 10.00 O ATOM 0 H TYR A 469 1.512 1.091 -7.102 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.977 -0.254 -7.998 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.332 -0.802 -5.872 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.278 -0.230 -5.484 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.124 2.744 -5.739 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.580 -0.256 -3.960 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -1.072 4.421 -4.227 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.523 1.431 -2.442 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.863 4.844 -2.837 1.00 10.00 H new ATOM 953 N TYR A 470 -0.261 2.854 -7.875 1.00 10.00 N ATOM 954 CA TYR A 470 -0.750 4.197 -8.154 1.00 10.00 C ATOM 955 C TYR A 470 -0.965 4.410 -9.649 1.00 10.00 C ATOM 956 O TYR A 470 -1.836 5.182 -10.049 1.00 10.00 O ATOM 957 CB TYR A 470 0.217 5.245 -7.576 1.00 10.00 C ATOM 958 CG TYR A 470 0.920 6.102 -8.610 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.786 5.535 -9.532 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.715 7.475 -8.660 1.00 10.00 C ATOM 961 CE1 TYR A 470 2.432 6.307 -10.475 1.00 10.00 C ATOM 962 CE2 TYR A 470 1.356 8.257 -9.603 1.00 10.00 C ATOM 963 CZ TYR A 470 2.213 7.668 -10.508 1.00 10.00 C ATOM 964 OH TYR A 470 2.855 8.442 -11.447 1.00 10.00 O ATOM 0 H TYR A 470 0.755 2.771 -7.847 1.00 10.00 H new ATOM 0 HA TYR A 470 -1.718 4.316 -7.668 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.338 5.897 -6.901 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.970 4.733 -6.977 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.958 4.469 -9.512 1.00 10.00 H new ATOM 0 HD2 TYR A 470 0.045 7.939 -7.951 1.00 10.00 H new ATOM 0 HE1 TYR A 470 3.106 5.848 -11.184 1.00 10.00 H new ATOM 0 HE2 TYR A 470 1.186 9.323 -9.630 1.00 10.00 H new ATOM 0 HH TYR A 470 2.590 9.379 -11.335 1.00 10.00 H new ATOM 974 N TYR A 471 -0.179 3.724 -10.475 1.00 10.00 N ATOM 975 CA TYR A 471 -0.318 3.860 -11.919 1.00 10.00 C ATOM 976 C TYR A 471 -1.536 3.084 -12.426 1.00 10.00 C ATOM 977 O TYR A 471 -1.885 3.162 -13.604 1.00 10.00 O ATOM 978 CB TYR A 471 0.965 3.419 -12.638 1.00 10.00 C ATOM 979 CG TYR A 471 1.091 1.926 -12.851 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.377 1.287 -13.857 1.00 10.00 C ATOM 981 CD2 TYR A 471 1.931 1.160 -12.053 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.494 -0.074 -14.060 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.053 -0.203 -12.250 1.00 10.00 C ATOM 984 CZ TYR A 471 1.332 -0.815 -13.254 1.00 10.00 C ATOM 985 OH TYR A 471 1.452 -2.171 -13.454 1.00 10.00 O ATOM 0 H TYR A 471 0.550 3.078 -10.173 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.479 4.914 -12.146 1.00 10.00 H new ATOM 0 HB2 TYR A 471 1.011 3.915 -13.607 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.824 3.764 -12.063 1.00 10.00 H new ATOM 0 HD1 TYR A 471 -0.280 1.864 -14.491 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.498 1.636 -11.267 1.00 10.00 H new ATOM 0 HE1 TYR A 471 -0.068 -0.556 -14.846 1.00 10.00 H new ATOM 0 HE2 TYR A 471 2.710 -0.786 -11.621 1.00 10.00 H new ATOM 0 HH TYR A 471 2.083 -2.543 -12.803 1.00 10.00 H new