USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 513 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 419 THR OG1 : rot 37:sc= 0.978 USER MOD Set 1.2: A 442 LYS NZ :NH3+ -166:sc= 1.45 (180deg=0.474) USER MOD Set 2.1: A 404 ASN : amide:sc= -0.0119 X(o=0.53,f=0.56) USER MOD Set 2.2: A 413 HIS : no HE2:sc= 0.545 K(o=0.53,f=-2.2!) USER MOD Set 3.1: A 379 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 395 GLN : amide:sc= -3.68! C(o=-3.7!,f=-4.8!) USER MOD Set 4.1: A 374 TYR OH : rot -70:sc= -0.73 USER MOD Set 4.2: A 384 GLN : amide:sc= 0.95 K(o=0.22,f=-3.5!) USER MOD Single : A 365 THR OG1 : rot 29:sc= -0.183 USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= -0.907 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 381 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 386 SER OG : rot 86:sc= 1.22 USER MOD Single : A 391 ASN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 398 ASN : amide:sc= 1.28 K(o=1.3,f=-4.5!) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 TYR OH : rot -53:sc= -1.68 USER MOD Single : A 406 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.8) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot -27:sc= 0.148 USER MOD Single : A 422 CYS SG : rot 180:sc= 0 USER MOD Single : A 426 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.72) USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= 1.17 K(o=1.2,f=-0.051) USER MOD Single : A 436 LYS NZ :NH3+ -166:sc= -0.0529 (180deg=-0.299) USER MOD Single : A 437 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 439 TYR OH : rot 72:sc= 0.00306 USER MOD Single : A 443 MET CE :methyl 156:sc= -0.319 (180deg=-2.71) USER MOD Single : A 444 LYS NZ :NH3+ -135:sc= 0.812 (180deg=-2.3!) USER MOD Single : A 445 SER OG : rot 13:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 131 N THR A 365 8.648 -2.916 -1.242 1.00 13.41 N ATOM 132 CA THR A 365 8.508 -3.257 0.134 1.00 34.40 C ATOM 133 C THR A 365 7.451 -4.322 0.230 1.00 53.31 C ATOM 134 O THR A 365 6.341 -4.152 -0.288 1.00 2.43 O ATOM 135 CB THR A 365 8.104 -2.012 0.948 1.00 34.12 C ATOM 136 OG1 THR A 365 9.123 -1.010 0.823 1.00 64.14 O ATOM 137 CG2 THR A 365 7.885 -2.344 2.413 1.00 63.33 C ATOM 0 HA THR A 365 9.450 -3.625 0.540 1.00 34.40 H new ATOM 0 HB THR A 365 7.161 -1.638 0.550 1.00 34.12 H new ATOM 0 HG1 THR A 365 9.578 -1.112 -0.039 1.00 64.14 H new ATOM 0 HG21 THR A 365 7.602 -1.440 2.952 1.00 63.33 H new ATOM 0 HG22 THR A 365 7.090 -3.085 2.503 1.00 63.33 H new ATOM 0 HG23 THR A 365 8.805 -2.746 2.837 1.00 63.33 H new ATOM 143 N LYS A 366 7.792 -5.415 0.839 1.00 15.13 N ATOM 144 CA LYS A 366 6.916 -6.543 0.903 1.00 55.41 C ATOM 145 C LYS A 366 6.856 -7.083 2.299 1.00 61.34 C ATOM 146 O LYS A 366 7.858 -7.069 3.020 1.00 50.41 O ATOM 147 CB LYS A 366 7.384 -7.610 -0.059 1.00 61.34 C ATOM 148 CG LYS A 366 7.407 -7.142 -1.491 1.00 25.35 C ATOM 149 CD LYS A 366 7.936 -8.187 -2.454 1.00 54.50 C ATOM 150 CE LYS A 366 7.017 -9.397 -2.554 1.00 13.01 C ATOM 151 NZ LYS A 366 7.534 -10.426 -3.487 1.00 40.35 N ATOM 0 H LYS A 366 8.688 -5.550 1.307 1.00 15.13 H new ATOM 0 HA LYS A 366 5.912 -6.227 0.618 1.00 55.41 H new ATOM 0 HB2 LYS A 366 8.384 -7.936 0.227 1.00 61.34 H new ATOM 0 HB3 LYS A 366 6.730 -8.478 0.023 1.00 61.34 H new ATOM 0 HG2 LYS A 366 6.398 -6.860 -1.790 1.00 25.35 H new ATOM 0 HG3 LYS A 366 8.023 -6.246 -1.563 1.00 25.35 H new ATOM 0 HD2 LYS A 366 8.055 -7.741 -3.441 1.00 54.50 H new ATOM 0 HD3 LYS A 366 8.925 -8.510 -2.129 1.00 54.50 H new ATOM 0 HE2 LYS A 366 6.893 -9.838 -1.565 1.00 13.01 H new ATOM 0 HE3 LYS A 366 6.030 -9.074 -2.885 1.00 13.01 H new ATOM 0 HZ1 LYS A 366 6.873 -11.228 -3.520 1.00 40.35 H new ATOM 0 HZ2 LYS A 366 7.628 -10.016 -4.438 1.00 40.35 H new ATOM 0 HZ3 LYS A 366 8.464 -10.757 -3.159 1.00 40.35 H new ATOM 165 N ARG A 367 5.696 -7.536 2.698 1.00 44.30 N ATOM 166 CA ARG A 367 5.508 -8.039 4.034 1.00 12.01 C ATOM 167 C ARG A 367 4.295 -8.962 4.025 1.00 50.41 C ATOM 168 O ARG A 367 3.284 -8.644 3.411 1.00 40.04 O ATOM 169 CB ARG A 367 5.338 -6.819 4.957 1.00 15.41 C ATOM 170 CG ARG A 367 5.277 -6.994 6.482 1.00 12.50 C ATOM 171 CD ARG A 367 3.976 -7.551 7.004 1.00 10.01 C ATOM 172 NE ARG A 367 3.792 -7.179 8.418 1.00 53.22 N ATOM 173 CZ ARG A 367 3.016 -7.800 9.314 1.00 13.45 C ATOM 174 NH1 ARG A 367 2.470 -8.982 9.047 1.00 0.13 N ATOM 175 NH2 ARG A 367 2.824 -7.247 10.505 1.00 11.32 N ATOM 0 H ARG A 367 4.862 -7.567 2.112 1.00 44.30 H new ATOM 0 HA ARG A 367 6.353 -8.623 4.398 1.00 12.01 H new ATOM 0 HB2 ARG A 367 6.162 -6.138 4.745 1.00 15.41 H new ATOM 0 HB3 ARG A 367 4.421 -6.313 4.655 1.00 15.41 H new ATOM 0 HG2 ARG A 367 6.088 -7.654 6.790 1.00 12.50 H new ATOM 0 HG3 ARG A 367 5.456 -6.027 6.952 1.00 12.50 H new ATOM 0 HD2 ARG A 367 3.145 -7.171 6.410 1.00 10.01 H new ATOM 0 HD3 ARG A 367 3.970 -8.636 6.903 1.00 10.01 H new ATOM 0 HE ARG A 367 4.309 -6.364 8.748 1.00 53.22 H new ATOM 0 HH11 ARG A 367 2.640 -9.431 8.147 1.00 0.13 H new ATOM 0 HH12 ARG A 367 1.881 -9.441 9.742 1.00 0.13 H new ATOM 0 HH21 ARG A 367 3.266 -6.356 10.731 1.00 11.32 H new ATOM 0 HH22 ARG A 367 2.234 -7.713 11.194 1.00 11.32 H new ATOM 187 N GLU A 368 4.400 -10.081 4.684 1.00 64.20 N ATOM 188 CA GLU A 368 3.344 -11.092 4.656 1.00 75.24 C ATOM 189 C GLU A 368 2.336 -10.820 5.735 1.00 72.25 C ATOM 190 O GLU A 368 2.694 -10.638 6.898 1.00 41.12 O ATOM 191 CB GLU A 368 3.938 -12.484 4.789 1.00 31.42 C ATOM 192 CG GLU A 368 4.956 -12.786 3.704 1.00 31.54 C ATOM 193 CD GLU A 368 5.648 -14.107 3.876 1.00 11.14 C ATOM 194 OE1 GLU A 368 6.615 -14.177 4.663 1.00 74.21 O ATOM 195 OE2 GLU A 368 5.256 -15.092 3.208 1.00 1.13 O ATOM 0 H GLU A 368 5.207 -10.331 5.256 1.00 64.20 H new ATOM 0 HA GLU A 368 2.830 -11.041 3.696 1.00 75.24 H new ATOM 0 HB2 GLU A 368 4.412 -12.582 5.766 1.00 31.42 H new ATOM 0 HB3 GLU A 368 3.138 -13.223 4.748 1.00 31.42 H new ATOM 0 HG2 GLU A 368 4.457 -12.771 2.735 1.00 31.54 H new ATOM 0 HG3 GLU A 368 5.704 -11.993 3.689 1.00 31.54 H new ATOM 202 N ILE A 369 1.081 -10.755 5.354 1.00 4.42 N ATOM 203 CA ILE A 369 0.038 -10.420 6.268 1.00 62.11 C ATOM 204 C ILE A 369 -1.097 -11.356 5.991 1.00 2.34 C ATOM 205 O ILE A 369 -1.566 -11.423 4.872 1.00 4.33 O ATOM 206 CB ILE A 369 -0.443 -8.966 6.016 1.00 1.45 C ATOM 207 CG1 ILE A 369 0.749 -8.020 5.957 1.00 20.43 C ATOM 208 CG2 ILE A 369 -1.367 -8.531 7.132 1.00 21.14 C ATOM 209 CD1 ILE A 369 0.410 -6.621 5.551 1.00 4.53 C ATOM 0 H ILE A 369 0.765 -10.934 4.401 1.00 4.42 H new ATOM 0 HA ILE A 369 0.389 -10.500 7.297 1.00 62.11 H new ATOM 0 HB ILE A 369 -0.975 -8.935 5.065 1.00 1.45 H new ATOM 0 HG12 ILE A 369 1.226 -7.995 6.937 1.00 20.43 H new ATOM 0 HG13 ILE A 369 1.481 -8.421 5.256 1.00 20.43 H new ATOM 0 HG21 ILE A 369 -1.702 -7.510 6.950 1.00 21.14 H new ATOM 0 HG22 ILE A 369 -2.231 -9.195 7.169 1.00 21.14 H new ATOM 0 HG23 ILE A 369 -0.835 -8.575 8.082 1.00 21.14 H new ATOM 0 HD11 ILE A 369 1.317 -6.017 5.535 1.00 4.53 H new ATOM 0 HD12 ILE A 369 -0.038 -6.629 4.557 1.00 4.53 H new ATOM 0 HD13 ILE A 369 -0.297 -6.196 6.264 1.00 4.53 H new ATOM 216 N GLY A 370 -1.498 -12.120 6.969 1.00 30.43 N ATOM 217 CA GLY A 370 -2.598 -13.045 6.773 1.00 23.52 C ATOM 218 C GLY A 370 -2.273 -14.162 5.788 1.00 4.43 C ATOM 219 O GLY A 370 -3.175 -14.859 5.309 1.00 45.34 O ATOM 0 H GLY A 370 -1.090 -12.127 7.904 1.00 30.43 H new ATOM 0 HA2 GLY A 370 -2.871 -13.483 7.733 1.00 23.52 H new ATOM 0 HA3 GLY A 370 -3.468 -12.495 6.415 1.00 23.52 H new ATOM 223 N GLY A 371 -1.004 -14.313 5.472 1.00 73.05 N ATOM 224 CA GLY A 371 -0.582 -15.357 4.593 1.00 42.33 C ATOM 225 C GLY A 371 -0.210 -14.864 3.234 1.00 15.04 C ATOM 226 O GLY A 371 0.476 -15.557 2.481 1.00 51.45 O ATOM 0 H GLY A 371 -0.252 -13.718 5.818 1.00 73.05 H new ATOM 0 HA2 GLY A 371 0.273 -15.871 5.033 1.00 42.33 H new ATOM 0 HA3 GLY A 371 -1.382 -16.091 4.500 1.00 42.33 H new ATOM 230 N TYR A 372 -0.639 -13.683 2.914 1.00 61.43 N ATOM 231 CA TYR A 372 -0.381 -13.119 1.634 1.00 22.42 C ATOM 232 C TYR A 372 0.655 -12.029 1.741 1.00 52.41 C ATOM 233 O TYR A 372 0.663 -11.264 2.702 1.00 4.53 O ATOM 234 CB TYR A 372 -1.686 -12.640 0.965 1.00 60.41 C ATOM 235 CG TYR A 372 -2.576 -11.788 1.839 1.00 30.21 C ATOM 236 CD1 TYR A 372 -2.278 -10.470 2.083 1.00 60.44 C ATOM 237 CD2 TYR A 372 -3.733 -12.316 2.414 1.00 50.04 C ATOM 238 CE1 TYR A 372 -3.085 -9.695 2.862 1.00 30.31 C ATOM 239 CE2 TYR A 372 -4.552 -11.538 3.204 1.00 43.42 C ATOM 240 CZ TYR A 372 -4.224 -10.226 3.423 1.00 50.34 C ATOM 241 OH TYR A 372 -5.039 -9.434 4.204 1.00 64.50 O ATOM 0 H TYR A 372 -1.180 -13.084 3.538 1.00 61.43 H new ATOM 0 HA TYR A 372 0.031 -13.890 0.983 1.00 22.42 H new ATOM 0 HB2 TYR A 372 -1.431 -12.073 0.070 1.00 60.41 H new ATOM 0 HB3 TYR A 372 -2.251 -13.513 0.639 1.00 60.41 H new ATOM 0 HD1 TYR A 372 -1.388 -10.039 1.650 1.00 60.44 H new ATOM 0 HD2 TYR A 372 -3.991 -13.350 2.237 1.00 50.04 H new ATOM 0 HE1 TYR A 372 -2.830 -8.661 3.039 1.00 30.31 H new ATOM 0 HE2 TYR A 372 -5.443 -11.958 3.646 1.00 43.42 H new ATOM 0 HH TYR A 372 -5.801 -9.962 4.522 1.00 64.50 H new ATOM 251 N THR A 373 1.538 -11.983 0.795 1.00 60.14 N ATOM 252 CA THR A 373 2.578 -11.012 0.802 1.00 1.51 C ATOM 253 C THR A 373 2.080 -9.708 0.208 1.00 43.25 C ATOM 254 O THR A 373 1.618 -9.672 -0.928 1.00 13.14 O ATOM 255 CB THR A 373 3.801 -11.510 0.003 1.00 30.12 C ATOM 256 OG1 THR A 373 4.211 -12.792 0.502 1.00 15.43 O ATOM 257 CG2 THR A 373 4.957 -10.542 0.151 1.00 61.20 C ATOM 0 H THR A 373 1.556 -12.618 -0.003 1.00 60.14 H new ATOM 0 HA THR A 373 2.880 -10.847 1.836 1.00 1.51 H new ATOM 0 HB THR A 373 3.521 -11.585 -1.048 1.00 30.12 H new ATOM 0 HG1 THR A 373 4.986 -13.108 -0.007 1.00 15.43 H new ATOM 0 HG21 THR A 373 5.812 -10.907 -0.418 1.00 61.20 H new ATOM 0 HG22 THR A 373 4.662 -9.563 -0.225 1.00 61.20 H new ATOM 0 HG23 THR A 373 5.230 -10.459 1.203 1.00 61.20 H new ATOM 263 N TYR A 374 2.159 -8.662 0.966 1.00 22.31 N ATOM 264 CA TYR A 374 1.788 -7.384 0.484 1.00 54.43 C ATOM 265 C TYR A 374 2.981 -6.716 -0.110 1.00 73.41 C ATOM 266 O TYR A 374 4.028 -6.660 0.509 1.00 41.33 O ATOM 267 CB TYR A 374 1.176 -6.536 1.572 1.00 40.11 C ATOM 268 CG TYR A 374 -0.263 -6.287 1.315 1.00 13.32 C ATOM 269 CD1 TYR A 374 -0.641 -5.415 0.312 1.00 55.53 C ATOM 270 CD2 TYR A 374 -1.246 -6.919 2.040 1.00 53.03 C ATOM 271 CE1 TYR A 374 -1.943 -5.174 0.039 1.00 1.41 C ATOM 272 CE2 TYR A 374 -2.581 -6.671 1.761 1.00 63.44 C ATOM 273 CZ TYR A 374 -2.918 -5.807 0.769 1.00 4.45 C ATOM 274 OH TYR A 374 -4.246 -5.577 0.502 1.00 52.41 O ATOM 0 H TYR A 374 2.482 -8.676 1.933 1.00 22.31 H new ATOM 0 HA TYR A 374 1.026 -7.508 -0.285 1.00 54.43 H new ATOM 0 HB2 TYR A 374 1.295 -7.034 2.534 1.00 40.11 H new ATOM 0 HB3 TYR A 374 1.706 -5.586 1.637 1.00 40.11 H new ATOM 0 HD1 TYR A 374 0.121 -4.915 -0.267 1.00 55.53 H new ATOM 0 HD2 TYR A 374 -0.978 -7.609 2.827 1.00 53.03 H new ATOM 0 HE1 TYR A 374 -2.214 -4.487 -0.749 1.00 1.41 H new ATOM 0 HE2 TYR A 374 -3.353 -7.165 2.332 1.00 63.44 H new ATOM 0 HH TYR A 374 -4.482 -4.666 0.777 1.00 52.41 H new ATOM 284 N LYS A 375 2.821 -6.238 -1.303 1.00 22.01 N ATOM 285 CA LYS A 375 3.899 -5.653 -2.057 1.00 3.43 C ATOM 286 C LYS A 375 3.557 -4.251 -2.438 1.00 15.33 C ATOM 287 O LYS A 375 2.532 -4.012 -3.039 1.00 53.44 O ATOM 288 CB LYS A 375 4.128 -6.480 -3.334 1.00 35.23 C ATOM 289 CG LYS A 375 5.136 -5.908 -4.309 1.00 24.54 C ATOM 290 CD LYS A 375 5.199 -6.766 -5.557 1.00 40.32 C ATOM 291 CE LYS A 375 6.063 -6.131 -6.614 1.00 54.23 C ATOM 292 NZ LYS A 375 6.163 -6.968 -7.838 1.00 3.01 N ATOM 0 H LYS A 375 1.927 -6.240 -1.794 1.00 22.01 H new ATOM 0 HA LYS A 375 4.801 -5.648 -1.446 1.00 3.43 H new ATOM 0 HB2 LYS A 375 4.454 -7.479 -3.045 1.00 35.23 H new ATOM 0 HB3 LYS A 375 3.174 -6.593 -3.849 1.00 35.23 H new ATOM 0 HG2 LYS A 375 4.859 -4.888 -4.574 1.00 24.54 H new ATOM 0 HG3 LYS A 375 6.119 -5.860 -3.841 1.00 24.54 H new ATOM 0 HD2 LYS A 375 5.594 -7.750 -5.305 1.00 40.32 H new ATOM 0 HD3 LYS A 375 4.193 -6.917 -5.949 1.00 40.32 H new ATOM 0 HE2 LYS A 375 5.654 -5.155 -6.876 1.00 54.23 H new ATOM 0 HE3 LYS A 375 7.061 -5.961 -6.210 1.00 54.23 H new ATOM 0 HZ1 LYS A 375 6.767 -6.490 -8.537 1.00 3.01 H new ATOM 0 HZ2 LYS A 375 6.577 -7.890 -7.595 1.00 3.01 H new ATOM 0 HZ3 LYS A 375 5.214 -7.110 -8.240 1.00 3.01 H new ATOM 306 N VAL A 376 4.399 -3.345 -2.095 1.00 42.13 N ATOM 307 CA VAL A 376 4.231 -1.987 -2.492 1.00 42.14 C ATOM 308 C VAL A 376 5.514 -1.494 -3.137 1.00 64.42 C ATOM 309 O VAL A 376 6.592 -1.524 -2.528 1.00 42.12 O ATOM 310 CB VAL A 376 3.799 -1.068 -1.294 1.00 23.13 C ATOM 311 CG1 VAL A 376 4.800 -1.116 -0.174 1.00 70.12 C ATOM 312 CG2 VAL A 376 3.587 0.368 -1.741 1.00 70.51 C ATOM 0 H VAL A 376 5.229 -3.521 -1.529 1.00 42.13 H new ATOM 0 HA VAL A 376 3.420 -1.936 -3.219 1.00 42.14 H new ATOM 0 HB VAL A 376 2.850 -1.457 -0.925 1.00 23.13 H new ATOM 0 HG11 VAL A 376 4.469 -0.468 0.638 1.00 70.12 H new ATOM 0 HG12 VAL A 376 4.889 -2.139 0.191 1.00 70.12 H new ATOM 0 HG13 VAL A 376 5.769 -0.775 -0.538 1.00 70.12 H new ATOM 0 HG21 VAL A 376 3.289 0.975 -0.886 1.00 70.51 H new ATOM 0 HG22 VAL A 376 4.515 0.760 -2.158 1.00 70.51 H new ATOM 0 HG23 VAL A 376 2.805 0.401 -2.500 1.00 70.51 H new ATOM 318 N VAL A 377 5.432 -1.123 -4.379 1.00 74.32 N ATOM 319 CA VAL A 377 6.565 -0.542 -5.022 1.00 43.34 C ATOM 320 C VAL A 377 6.264 0.911 -5.157 1.00 12.20 C ATOM 321 O VAL A 377 5.322 1.289 -5.860 1.00 1.33 O ATOM 322 CB VAL A 377 6.842 -1.150 -6.416 1.00 12.42 C ATOM 323 CG1 VAL A 377 8.133 -0.575 -7.012 1.00 1.33 C ATOM 324 CG2 VAL A 377 6.911 -2.664 -6.334 1.00 71.30 C ATOM 0 H VAL A 377 4.599 -1.212 -4.961 1.00 74.32 H new ATOM 0 HA VAL A 377 7.459 -0.733 -4.429 1.00 43.34 H new ATOM 0 HB VAL A 377 6.017 -0.883 -7.077 1.00 12.42 H new ATOM 0 HG11 VAL A 377 8.309 -1.016 -7.993 1.00 1.33 H new ATOM 0 HG12 VAL A 377 8.037 0.506 -7.112 1.00 1.33 H new ATOM 0 HG13 VAL A 377 8.971 -0.806 -6.355 1.00 1.33 H new ATOM 0 HG21 VAL A 377 7.107 -3.074 -7.325 1.00 71.30 H new ATOM 0 HG22 VAL A 377 7.713 -2.955 -5.656 1.00 71.30 H new ATOM 0 HG23 VAL A 377 5.963 -3.052 -5.962 1.00 71.30 H new ATOM 330 N PHE A 378 7.050 1.717 -4.506 1.00 71.52 N ATOM 331 CA PHE A 378 6.820 3.137 -4.445 1.00 71.31 C ATOM 332 C PHE A 378 6.800 3.779 -5.813 1.00 51.31 C ATOM 333 O PHE A 378 7.753 3.665 -6.585 1.00 61.23 O ATOM 334 CB PHE A 378 7.817 3.802 -3.526 1.00 74.21 C ATOM 335 CG PHE A 378 7.665 3.400 -2.085 1.00 33.35 C ATOM 336 CD1 PHE A 378 8.316 2.284 -1.583 1.00 2.45 C ATOM 337 CD2 PHE A 378 6.873 4.142 -1.232 1.00 31.14 C ATOM 338 CE1 PHE A 378 8.180 1.921 -0.263 1.00 33.35 C ATOM 339 CE2 PHE A 378 6.731 3.782 0.092 1.00 23.32 C ATOM 340 CZ PHE A 378 7.386 2.670 0.574 1.00 23.32 C ATOM 0 H PHE A 378 7.878 1.408 -3.996 1.00 71.52 H new ATOM 0 HA PHE A 378 5.825 3.286 -4.027 1.00 71.31 H new ATOM 0 HB2 PHE A 378 8.826 3.557 -3.859 1.00 74.21 H new ATOM 0 HB3 PHE A 378 7.708 4.884 -3.607 1.00 74.21 H new ATOM 0 HD1 PHE A 378 8.938 1.691 -2.237 1.00 2.45 H new ATOM 0 HD2 PHE A 378 6.358 5.015 -1.606 1.00 31.14 H new ATOM 0 HE1 PHE A 378 8.695 1.050 0.115 1.00 33.35 H new ATOM 0 HE2 PHE A 378 6.108 4.370 0.749 1.00 23.32 H new ATOM 0 HZ PHE A 378 7.276 2.386 1.610 1.00 23.32 H new ATOM 350 N TYR A 379 5.679 4.440 -6.086 1.00 4.14 N ATOM 351 CA TYR A 379 5.380 5.128 -7.344 1.00 14.41 C ATOM 352 C TYR A 379 5.077 4.176 -8.498 1.00 42.34 C ATOM 353 O TYR A 379 4.977 4.600 -9.648 1.00 63.55 O ATOM 354 CB TYR A 379 6.426 6.203 -7.702 1.00 61.01 C ATOM 355 CG TYR A 379 6.401 7.388 -6.751 1.00 73.55 C ATOM 356 CD1 TYR A 379 7.076 7.354 -5.542 1.00 23.03 C ATOM 357 CD2 TYR A 379 5.683 8.533 -7.062 1.00 62.41 C ATOM 358 CE1 TYR A 379 7.041 8.424 -4.669 1.00 25.34 C ATOM 359 CE2 TYR A 379 5.635 9.607 -6.197 1.00 53.30 C ATOM 360 CZ TYR A 379 6.318 9.547 -5.001 1.00 61.41 C ATOM 361 OH TYR A 379 6.257 10.615 -4.127 1.00 11.44 O ATOM 0 H TYR A 379 4.920 4.516 -5.409 1.00 4.14 H new ATOM 0 HA TYR A 379 4.449 5.667 -7.168 1.00 14.41 H new ATOM 0 HB2 TYR A 379 7.420 5.755 -7.691 1.00 61.01 H new ATOM 0 HB3 TYR A 379 6.246 6.554 -8.718 1.00 61.01 H new ATOM 0 HD1 TYR A 379 7.641 6.473 -5.276 1.00 23.03 H new ATOM 0 HD2 TYR A 379 5.151 8.585 -8.000 1.00 62.41 H new ATOM 0 HE1 TYR A 379 7.577 8.380 -3.733 1.00 25.34 H new ATOM 0 HE2 TYR A 379 5.066 10.488 -6.455 1.00 53.30 H new ATOM 0 HH TYR A 379 5.706 11.326 -4.517 1.00 11.44 H new ATOM 371 N GLU A 380 4.872 2.899 -8.186 1.00 11.13 N ATOM 372 CA GLU A 380 4.497 1.926 -9.200 1.00 52.11 C ATOM 373 C GLU A 380 3.192 1.194 -8.900 1.00 12.53 C ATOM 374 O GLU A 380 2.123 1.650 -9.325 1.00 13.31 O ATOM 375 CB GLU A 380 5.631 0.977 -9.568 1.00 54.40 C ATOM 376 CG GLU A 380 6.741 1.661 -10.330 1.00 23.55 C ATOM 377 CD GLU A 380 7.890 0.758 -10.647 1.00 62.02 C ATOM 378 OE1 GLU A 380 7.764 -0.091 -11.562 1.00 70.41 O ATOM 379 OE2 GLU A 380 8.959 0.911 -10.022 1.00 62.35 O ATOM 0 H GLU A 380 4.959 2.518 -7.244 1.00 11.13 H new ATOM 0 HA GLU A 380 4.296 2.519 -10.092 1.00 52.11 H new ATOM 0 HB2 GLU A 380 6.039 0.535 -8.659 1.00 54.40 H new ATOM 0 HB3 GLU A 380 5.234 0.159 -10.169 1.00 54.40 H new ATOM 0 HG2 GLU A 380 6.338 2.064 -11.259 1.00 23.55 H new ATOM 0 HG3 GLU A 380 7.104 2.507 -9.747 1.00 23.55 H new ATOM 386 N ASN A 381 3.239 0.090 -8.143 1.00 73.12 N ATOM 387 CA ASN A 381 2.003 -0.684 -7.913 1.00 12.31 C ATOM 388 C ASN A 381 2.029 -1.318 -6.545 1.00 53.41 C ATOM 389 O ASN A 381 3.072 -1.349 -5.873 1.00 51.13 O ATOM 390 CB ASN A 381 1.844 -1.859 -8.898 1.00 23.51 C ATOM 391 CG ASN A 381 2.439 -1.643 -10.268 1.00 42.01 C ATOM 392 OD1 ASN A 381 1.803 -1.097 -11.167 1.00 10.14 O ATOM 393 ND2 ASN A 381 3.654 -2.112 -10.448 1.00 4.23 N ATOM 0 H ASN A 381 4.078 -0.279 -7.695 1.00 73.12 H new ATOM 0 HA ASN A 381 1.188 0.030 -8.035 1.00 12.31 H new ATOM 0 HB2 ASN A 381 2.302 -2.744 -8.457 1.00 23.51 H new ATOM 0 HB3 ASN A 381 0.781 -2.073 -9.012 1.00 23.51 H new ATOM 0 HD21 ASN A 381 4.103 -2.029 -11.360 1.00 4.23 H new ATOM 0 HD22 ASN A 381 4.148 -2.559 -9.675 1.00 4.23 H new ATOM 399 N VAL A 382 0.889 -1.837 -6.157 1.00 45.31 N ATOM 400 CA VAL A 382 0.731 -2.599 -4.947 1.00 44.53 C ATOM 401 C VAL A 382 0.127 -3.939 -5.323 1.00 43.54 C ATOM 402 O VAL A 382 -0.751 -4.004 -6.186 1.00 53.22 O ATOM 403 CB VAL A 382 -0.190 -1.884 -3.909 1.00 62.41 C ATOM 404 CG1 VAL A 382 -0.410 -2.742 -2.663 1.00 65.44 C ATOM 405 CG2 VAL A 382 0.408 -0.574 -3.495 1.00 41.45 C ATOM 0 H VAL A 382 0.025 -1.737 -6.690 1.00 45.31 H new ATOM 0 HA VAL A 382 1.707 -2.715 -4.476 1.00 44.53 H new ATOM 0 HB VAL A 382 -1.152 -1.719 -4.394 1.00 62.41 H new ATOM 0 HG11 VAL A 382 -1.056 -2.210 -1.964 1.00 65.44 H new ATOM 0 HG12 VAL A 382 -0.880 -3.683 -2.948 1.00 65.44 H new ATOM 0 HG13 VAL A 382 0.549 -2.945 -2.187 1.00 65.44 H new ATOM 0 HG21 VAL A 382 -0.246 -0.088 -2.771 1.00 41.45 H new ATOM 0 HG22 VAL A 382 1.385 -0.747 -3.043 1.00 41.45 H new ATOM 0 HG23 VAL A 382 0.521 0.067 -4.369 1.00 41.45 H new ATOM 411 N PHE A 383 0.608 -4.985 -4.718 1.00 21.34 N ATOM 412 CA PHE A 383 0.123 -6.316 -4.974 1.00 70.04 C ATOM 413 C PHE A 383 -0.132 -7.049 -3.684 1.00 21.41 C ATOM 414 O PHE A 383 0.532 -6.814 -2.678 1.00 42.40 O ATOM 415 CB PHE A 383 1.107 -7.137 -5.836 1.00 51.34 C ATOM 416 CG PHE A 383 1.247 -6.683 -7.258 1.00 22.21 C ATOM 417 CD1 PHE A 383 2.133 -5.681 -7.609 1.00 64.05 C ATOM 418 CD2 PHE A 383 0.487 -7.273 -8.250 1.00 51.51 C ATOM 419 CE1 PHE A 383 2.255 -5.280 -8.922 1.00 73.22 C ATOM 420 CE2 PHE A 383 0.603 -6.877 -9.562 1.00 2.53 C ATOM 421 CZ PHE A 383 1.485 -5.878 -9.899 1.00 23.03 C ATOM 0 H PHE A 383 1.356 -4.941 -4.025 1.00 21.34 H new ATOM 0 HA PHE A 383 -0.810 -6.207 -5.527 1.00 70.04 H new ATOM 0 HB2 PHE A 383 2.089 -7.107 -5.364 1.00 51.34 H new ATOM 0 HB3 PHE A 383 0.784 -8.178 -5.835 1.00 51.34 H new ATOM 0 HD1 PHE A 383 2.735 -5.208 -6.847 1.00 64.05 H new ATOM 0 HD2 PHE A 383 -0.209 -8.057 -7.991 1.00 51.51 H new ATOM 0 HE1 PHE A 383 2.952 -4.499 -9.186 1.00 73.22 H new ATOM 0 HE2 PHE A 383 0.003 -7.350 -10.325 1.00 2.53 H new ATOM 0 HZ PHE A 383 1.575 -5.561 -10.928 1.00 23.03 H new ATOM 431 N GLN A 384 -1.101 -7.907 -3.715 1.00 52.12 N ATOM 432 CA GLN A 384 -1.387 -8.781 -2.628 1.00 32.13 C ATOM 433 C GLN A 384 -1.134 -10.177 -3.128 1.00 44.25 C ATOM 434 O GLN A 384 -1.958 -10.734 -3.872 1.00 23.11 O ATOM 435 CB GLN A 384 -2.828 -8.652 -2.177 1.00 2.04 C ATOM 436 CG GLN A 384 -3.165 -9.485 -0.962 1.00 2.40 C ATOM 437 CD GLN A 384 -4.629 -9.465 -0.642 1.00 22.22 C ATOM 438 OE1 GLN A 384 -5.392 -10.288 -1.127 1.00 53.13 O ATOM 439 NE2 GLN A 384 -5.036 -8.531 0.146 1.00 63.41 N ATOM 0 H GLN A 384 -1.726 -8.020 -4.513 1.00 52.12 H new ATOM 0 HA GLN A 384 -0.762 -8.535 -1.770 1.00 32.13 H new ATOM 0 HB2 GLN A 384 -3.038 -7.605 -1.957 1.00 2.04 H new ATOM 0 HB3 GLN A 384 -3.483 -8.943 -2.998 1.00 2.04 H new ATOM 0 HG2 GLN A 384 -2.847 -10.514 -1.131 1.00 2.40 H new ATOM 0 HG3 GLN A 384 -2.604 -9.115 -0.104 1.00 2.40 H new ATOM 0 HE21 GLN A 384 -4.369 -7.862 0.531 1.00 63.41 H new ATOM 0 HE22 GLN A 384 -6.025 -8.460 0.385 1.00 63.41 H new ATOM 447 N ASP A 385 0.015 -10.697 -2.777 1.00 31.45 N ATOM 448 CA ASP A 385 0.517 -12.012 -3.203 1.00 61.45 C ATOM 449 C ASP A 385 0.867 -11.981 -4.677 1.00 21.45 C ATOM 450 O ASP A 385 2.032 -11.845 -5.054 1.00 33.43 O ATOM 451 CB ASP A 385 -0.491 -13.136 -2.941 1.00 43.04 C ATOM 452 CG ASP A 385 0.106 -14.511 -3.174 1.00 11.23 C ATOM 453 OD1 ASP A 385 0.209 -14.937 -4.342 1.00 5.54 O ATOM 454 OD2 ASP A 385 0.495 -15.173 -2.206 1.00 53.35 O ATOM 0 H ASP A 385 0.665 -10.208 -2.161 1.00 31.45 H new ATOM 0 HA ASP A 385 1.407 -12.222 -2.610 1.00 61.45 H new ATOM 0 HB2 ASP A 385 -0.849 -13.067 -1.914 1.00 43.04 H new ATOM 0 HB3 ASP A 385 -1.356 -13.003 -3.590 1.00 43.04 H new ATOM 459 N SER A 386 -0.153 -12.068 -5.491 1.00 32.12 N ATOM 460 CA SER A 386 -0.032 -12.046 -6.921 1.00 62.51 C ATOM 461 C SER A 386 -1.141 -11.174 -7.508 1.00 45.43 C ATOM 462 O SER A 386 -1.182 -10.913 -8.712 1.00 2.32 O ATOM 463 CB SER A 386 -0.158 -13.472 -7.463 1.00 24.01 C ATOM 464 OG SER A 386 0.799 -14.342 -6.856 1.00 14.34 O ATOM 0 H SER A 386 -1.116 -12.158 -5.166 1.00 32.12 H new ATOM 0 HA SER A 386 0.939 -11.637 -7.202 1.00 62.51 H new ATOM 0 HB2 SER A 386 -1.164 -13.847 -7.276 1.00 24.01 H new ATOM 0 HB3 SER A 386 -0.015 -13.467 -8.544 1.00 24.01 H new ATOM 0 HG SER A 386 0.436 -14.692 -6.015 1.00 14.34 H new ATOM 470 N ILE A 387 -2.041 -10.718 -6.651 1.00 75.41 N ATOM 471 CA ILE A 387 -3.168 -9.919 -7.108 1.00 4.23 C ATOM 472 C ILE A 387 -2.787 -8.448 -7.132 1.00 14.11 C ATOM 473 O ILE A 387 -2.185 -7.955 -6.189 1.00 1.44 O ATOM 474 CB ILE A 387 -4.413 -10.135 -6.191 1.00 2.24 C ATOM 475 CG1 ILE A 387 -4.851 -11.608 -6.205 1.00 74.40 C ATOM 476 CG2 ILE A 387 -5.576 -9.224 -6.581 1.00 43.41 C ATOM 477 CD1 ILE A 387 -5.239 -12.144 -7.577 1.00 54.12 C ATOM 0 H ILE A 387 -2.015 -10.885 -5.645 1.00 75.41 H new ATOM 0 HA ILE A 387 -3.428 -10.239 -8.117 1.00 4.23 H new ATOM 0 HB ILE A 387 -4.117 -9.868 -5.177 1.00 2.24 H new ATOM 0 HG12 ILE A 387 -4.040 -12.218 -5.808 1.00 74.40 H new ATOM 0 HG13 ILE A 387 -5.699 -11.727 -5.530 1.00 74.40 H new ATOM 0 HG21 ILE A 387 -6.421 -9.408 -5.917 1.00 43.41 H new ATOM 0 HG22 ILE A 387 -5.267 -8.182 -6.495 1.00 43.41 H new ATOM 0 HG23 ILE A 387 -5.871 -9.431 -7.610 1.00 43.41 H new ATOM 0 HD11 ILE A 387 -5.534 -13.190 -7.489 1.00 54.12 H new ATOM 0 HD12 ILE A 387 -6.073 -11.564 -7.972 1.00 54.12 H new ATOM 0 HD13 ILE A 387 -4.388 -12.062 -8.253 1.00 54.12 H new ATOM 484 N LEU A 388 -3.148 -7.749 -8.196 1.00 24.24 N ATOM 485 CA LEU A 388 -2.853 -6.336 -8.303 1.00 42.33 C ATOM 486 C LEU A 388 -3.817 -5.594 -7.427 1.00 71.23 C ATOM 487 O LEU A 388 -5.018 -5.626 -7.641 1.00 54.43 O ATOM 488 CB LEU A 388 -2.976 -5.866 -9.766 1.00 33.44 C ATOM 489 CG LEU A 388 -2.782 -4.359 -10.025 1.00 22.42 C ATOM 490 CD1 LEU A 388 -1.396 -3.884 -9.617 1.00 34.15 C ATOM 491 CD2 LEU A 388 -3.063 -4.021 -11.477 1.00 65.04 C ATOM 0 H LEU A 388 -3.646 -8.140 -8.996 1.00 24.24 H new ATOM 0 HA LEU A 388 -1.830 -6.141 -7.982 1.00 42.33 H new ATOM 0 HB2 LEU A 388 -2.244 -6.411 -10.362 1.00 33.44 H new ATOM 0 HB3 LEU A 388 -3.962 -6.151 -10.134 1.00 33.44 H new ATOM 0 HG LEU A 388 -3.501 -3.829 -9.401 1.00 22.42 H new ATOM 0 HD11 LEU A 388 -1.304 -2.817 -9.817 1.00 34.15 H new ATOM 0 HD12 LEU A 388 -1.247 -4.068 -8.553 1.00 34.15 H new ATOM 0 HD13 LEU A 388 -0.643 -4.427 -10.188 1.00 34.15 H new ATOM 0 HD21 LEU A 388 -2.920 -2.952 -11.636 1.00 65.04 H new ATOM 0 HD22 LEU A 388 -2.381 -4.578 -12.119 1.00 65.04 H new ATOM 0 HD23 LEU A 388 -4.091 -4.289 -11.721 1.00 65.04 H new ATOM 499 N LEU A 389 -3.305 -4.970 -6.428 1.00 44.44 N ATOM 500 CA LEU A 389 -4.097 -4.319 -5.492 1.00 65.32 C ATOM 501 C LEU A 389 -4.512 -2.980 -6.054 1.00 45.23 C ATOM 502 O LEU A 389 -5.683 -2.722 -6.236 1.00 45.24 O ATOM 503 CB LEU A 389 -3.249 -4.160 -4.274 1.00 62.34 C ATOM 504 CG LEU A 389 -3.917 -3.995 -2.951 1.00 72.13 C ATOM 505 CD1 LEU A 389 -4.827 -2.785 -2.871 1.00 22.45 C ATOM 506 CD2 LEU A 389 -4.611 -5.264 -2.535 1.00 42.24 C ATOM 0 H LEU A 389 -2.303 -4.906 -6.249 1.00 44.44 H new ATOM 0 HA LEU A 389 -5.006 -4.870 -5.250 1.00 65.32 H new ATOM 0 HB2 LEU A 389 -2.598 -5.032 -4.209 1.00 62.34 H new ATOM 0 HB3 LEU A 389 -2.606 -3.293 -4.430 1.00 62.34 H new ATOM 0 HG LEU A 389 -3.125 -3.794 -2.230 1.00 72.13 H new ATOM 0 HD11 LEU A 389 -5.276 -2.733 -1.879 1.00 22.45 H new ATOM 0 HD12 LEU A 389 -4.247 -1.881 -3.055 1.00 22.45 H new ATOM 0 HD13 LEU A 389 -5.613 -2.871 -3.621 1.00 22.45 H new ATOM 0 HD21 LEU A 389 -5.090 -5.116 -1.567 1.00 42.24 H new ATOM 0 HD22 LEU A 389 -5.365 -5.526 -3.277 1.00 42.24 H new ATOM 0 HD23 LEU A 389 -3.881 -6.070 -2.459 1.00 42.24 H new ATOM 514 N GLY A 390 -3.560 -2.149 -6.348 1.00 44.00 N ATOM 515 CA GLY A 390 -3.889 -0.873 -6.857 1.00 25.11 C ATOM 516 C GLY A 390 -2.739 -0.260 -7.568 1.00 2.44 C ATOM 517 O GLY A 390 -1.579 -0.650 -7.347 1.00 35.22 O ATOM 0 H GLY A 390 -2.563 -2.337 -6.243 1.00 44.00 H new ATOM 0 HA2 GLY A 390 -4.736 -0.959 -7.538 1.00 25.11 H new ATOM 0 HA3 GLY A 390 -4.202 -0.223 -6.040 1.00 25.11 H new ATOM 521 N ASN A 391 -3.040 0.669 -8.415 1.00 61.40 N ATOM 522 CA ASN A 391 -2.049 1.411 -9.144 1.00 13.04 C ATOM 523 C ASN A 391 -1.929 2.743 -8.471 1.00 33.10 C ATOM 524 O ASN A 391 -2.928 3.273 -7.976 1.00 72.15 O ATOM 525 CB ASN A 391 -2.484 1.615 -10.611 1.00 21.15 C ATOM 526 CG ASN A 391 -2.631 0.318 -11.402 1.00 43.30 C ATOM 527 OD1 ASN A 391 -1.690 -0.149 -12.059 1.00 74.15 O ATOM 528 ND2 ASN A 391 -3.795 -0.273 -11.345 1.00 32.11 N ATOM 0 H ASN A 391 -3.999 0.943 -8.628 1.00 61.40 H new ATOM 0 HA ASN A 391 -1.101 0.873 -9.151 1.00 13.04 H new ATOM 0 HB2 ASN A 391 -3.435 2.147 -10.626 1.00 21.15 H new ATOM 0 HB3 ASN A 391 -1.754 2.252 -11.110 1.00 21.15 H new ATOM 0 HD21 ASN A 391 -3.949 -1.145 -11.851 1.00 32.11 H new ATOM 0 HD22 ASN A 391 -4.549 0.138 -10.795 1.00 32.11 H new ATOM 534 N PHE A 392 -0.748 3.276 -8.419 1.00 24.41 N ATOM 535 CA PHE A 392 -0.531 4.561 -7.770 1.00 55.42 C ATOM 536 C PHE A 392 -1.166 5.676 -8.566 1.00 42.14 C ATOM 537 O PHE A 392 -0.801 5.921 -9.731 1.00 2.10 O ATOM 538 CB PHE A 392 0.956 4.833 -7.538 1.00 62.54 C ATOM 539 CG PHE A 392 1.610 3.987 -6.470 1.00 55.13 C ATOM 540 CD1 PHE A 392 1.426 2.619 -6.414 1.00 71.03 C ATOM 541 CD2 PHE A 392 2.446 4.573 -5.547 1.00 41.44 C ATOM 542 CE1 PHE A 392 2.060 1.863 -5.461 1.00 40.42 C ATOM 543 CE2 PHE A 392 3.080 3.822 -4.582 1.00 51.32 C ATOM 544 CZ PHE A 392 2.888 2.464 -4.544 1.00 60.24 C ATOM 0 H PHE A 392 0.091 2.852 -8.815 1.00 24.41 H new ATOM 0 HA PHE A 392 -1.011 4.521 -6.792 1.00 55.42 H new ATOM 0 HB2 PHE A 392 1.487 4.678 -8.477 1.00 62.54 H new ATOM 0 HB3 PHE A 392 1.079 5.883 -7.272 1.00 62.54 H new ATOM 0 HD1 PHE A 392 0.775 2.139 -7.129 1.00 71.03 H new ATOM 0 HD2 PHE A 392 2.608 5.640 -5.580 1.00 41.44 H new ATOM 0 HE1 PHE A 392 1.908 0.794 -5.431 1.00 40.42 H new ATOM 0 HE2 PHE A 392 3.725 4.300 -3.859 1.00 51.32 H new ATOM 0 HZ PHE A 392 3.387 1.868 -3.794 1.00 60.24 H new ATOM 554 N ALA A 393 -2.128 6.326 -7.966 1.00 75.35 N ATOM 555 CA ALA A 393 -2.833 7.392 -8.624 1.00 10.45 C ATOM 556 C ALA A 393 -2.278 8.746 -8.213 1.00 42.02 C ATOM 557 O ALA A 393 -1.987 9.594 -9.070 1.00 15.41 O ATOM 558 CB ALA A 393 -4.317 7.301 -8.319 1.00 1.11 C ATOM 0 H ALA A 393 -2.443 6.133 -7.015 1.00 75.35 H new ATOM 0 HA ALA A 393 -2.692 7.289 -9.700 1.00 10.45 H new ATOM 0 HB1 ALA A 393 -4.842 8.113 -8.822 1.00 1.11 H new ATOM 0 HB2 ALA A 393 -4.703 6.345 -8.673 1.00 1.11 H new ATOM 0 HB3 ALA A 393 -4.473 7.380 -7.243 1.00 1.11 H new ATOM 564 N SER A 394 -2.101 8.941 -6.921 1.00 53.02 N ATOM 565 CA SER A 394 -1.598 10.186 -6.397 1.00 75.14 C ATOM 566 C SER A 394 -1.235 10.021 -4.932 1.00 33.50 C ATOM 567 O SER A 394 -1.894 9.271 -4.206 1.00 60.11 O ATOM 568 CB SER A 394 -2.653 11.294 -6.570 1.00 73.44 C ATOM 569 OG SER A 394 -3.882 10.937 -5.935 1.00 64.23 O ATOM 0 H SER A 394 -2.303 8.239 -6.209 1.00 53.02 H new ATOM 0 HA SER A 394 -0.702 10.471 -6.948 1.00 75.14 H new ATOM 0 HB2 SER A 394 -2.279 12.226 -6.147 1.00 73.44 H new ATOM 0 HB3 SER A 394 -2.827 11.473 -7.631 1.00 73.44 H new ATOM 0 HG SER A 394 -4.535 11.657 -6.058 1.00 64.23 H new ATOM 575 N GLN A 395 -0.186 10.674 -4.512 1.00 53.03 N ATOM 576 CA GLN A 395 0.226 10.638 -3.138 1.00 53.42 C ATOM 577 C GLN A 395 0.758 11.982 -2.711 1.00 14.21 C ATOM 578 O GLN A 395 1.502 12.638 -3.460 1.00 74.00 O ATOM 579 CB GLN A 395 1.268 9.561 -2.951 1.00 44.45 C ATOM 580 CG GLN A 395 2.460 9.691 -3.867 1.00 34.53 C ATOM 581 CD GLN A 395 3.367 8.509 -3.785 1.00 52.30 C ATOM 582 OE1 GLN A 395 4.288 8.469 -2.992 1.00 11.44 O ATOM 583 NE2 GLN A 395 3.125 7.548 -4.614 1.00 14.22 N ATOM 0 H GLN A 395 0.407 11.246 -5.114 1.00 53.03 H new ATOM 0 HA GLN A 395 -0.635 10.406 -2.511 1.00 53.42 H new ATOM 0 HB2 GLN A 395 1.614 9.581 -1.917 1.00 44.45 H new ATOM 0 HB3 GLN A 395 0.803 8.589 -3.113 1.00 44.45 H new ATOM 0 HG2 GLN A 395 2.115 9.811 -4.894 1.00 34.53 H new ATOM 0 HG3 GLN A 395 3.017 10.592 -3.610 1.00 34.53 H new ATOM 0 HE21 GLN A 395 2.342 7.620 -5.264 1.00 14.22 H new ATOM 0 HE22 GLN A 395 3.717 6.717 -4.619 1.00 14.22 H new ATOM 591 N GLU A 396 0.382 12.410 -1.544 1.00 4.02 N ATOM 592 CA GLU A 396 0.832 13.675 -1.048 1.00 11.52 C ATOM 593 C GLU A 396 1.743 13.431 0.133 1.00 31.21 C ATOM 594 O GLU A 396 1.347 12.796 1.121 1.00 44.32 O ATOM 595 CB GLU A 396 -0.354 14.592 -0.655 1.00 65.25 C ATOM 596 CG GLU A 396 -1.160 14.115 0.543 1.00 41.30 C ATOM 597 CD GLU A 396 -2.335 15.001 0.853 1.00 11.33 C ATOM 598 OE1 GLU A 396 -2.151 16.020 1.528 1.00 14.05 O ATOM 599 OE2 GLU A 396 -3.467 14.690 0.441 1.00 24.43 O ATOM 0 H GLU A 396 -0.238 11.899 -0.915 1.00 4.02 H new ATOM 0 HA GLU A 396 1.378 14.194 -1.836 1.00 11.52 H new ATOM 0 HB2 GLU A 396 0.031 15.589 -0.442 1.00 65.25 H new ATOM 0 HB3 GLU A 396 -1.022 14.685 -1.511 1.00 65.25 H new ATOM 0 HG2 GLU A 396 -1.516 13.102 0.354 1.00 41.30 H new ATOM 0 HG3 GLU A 396 -0.509 14.066 1.416 1.00 41.30 H new ATOM 606 N GLY A 397 2.963 13.872 0.024 1.00 21.12 N ATOM 607 CA GLY A 397 3.866 13.722 1.114 1.00 0.55 C ATOM 608 C GLY A 397 4.208 12.272 1.412 1.00 33.12 C ATOM 609 O GLY A 397 5.020 11.644 0.699 1.00 4.40 O ATOM 0 H GLY A 397 3.347 14.333 -0.801 1.00 21.12 H new ATOM 0 HA2 GLY A 397 4.784 14.267 0.895 1.00 0.55 H new ATOM 0 HA3 GLY A 397 3.430 14.176 2.004 1.00 0.55 H new ATOM 613 N ASN A 398 3.565 11.757 2.449 1.00 23.40 N ATOM 614 CA ASN A 398 3.754 10.406 2.956 1.00 64.32 C ATOM 615 C ASN A 398 2.426 9.635 2.986 1.00 22.51 C ATOM 616 O ASN A 398 2.345 8.544 3.561 1.00 41.40 O ATOM 617 CB ASN A 398 4.330 10.438 4.387 1.00 25.52 C ATOM 618 CG ASN A 398 3.425 11.161 5.404 1.00 1.12 C ATOM 619 OD1 ASN A 398 2.734 12.143 5.082 1.00 42.54 O ATOM 620 ND2 ASN A 398 3.391 10.661 6.609 1.00 21.44 N ATOM 0 H ASN A 398 2.873 12.287 2.979 1.00 23.40 H new ATOM 0 HA ASN A 398 4.451 9.904 2.284 1.00 64.32 H new ATOM 0 HB2 ASN A 398 4.496 9.415 4.725 1.00 25.52 H new ATOM 0 HB3 ASN A 398 5.303 10.929 4.367 1.00 25.52 H new ATOM 0 HD21 ASN A 398 2.786 11.077 7.317 1.00 21.44 H new ATOM 0 HD22 ASN A 398 3.970 9.854 6.843 1.00 21.44 H new ATOM 626 N VAL A 399 1.396 10.183 2.375 1.00 14.40 N ATOM 627 CA VAL A 399 0.104 9.518 2.342 1.00 64.44 C ATOM 628 C VAL A 399 -0.145 9.123 0.918 1.00 25.22 C ATOM 629 O VAL A 399 -0.244 9.985 0.029 1.00 21.22 O ATOM 630 CB VAL A 399 -1.042 10.426 2.855 1.00 33.13 C ATOM 631 CG1 VAL A 399 -2.359 9.662 2.881 1.00 31.45 C ATOM 632 CG2 VAL A 399 -0.717 10.976 4.239 1.00 60.22 C ATOM 0 H VAL A 399 1.425 11.083 1.896 1.00 14.40 H new ATOM 0 HA VAL A 399 0.123 8.652 3.004 1.00 64.44 H new ATOM 0 HB VAL A 399 -1.144 11.266 2.168 1.00 33.13 H new ATOM 0 HG11 VAL A 399 -3.152 10.316 3.244 1.00 31.45 H new ATOM 0 HG12 VAL A 399 -2.602 9.321 1.875 1.00 31.45 H new ATOM 0 HG13 VAL A 399 -2.267 8.801 3.543 1.00 31.45 H new ATOM 0 HG21 VAL A 399 -1.535 11.611 4.580 1.00 60.22 H new ATOM 0 HG22 VAL A 399 -0.584 10.149 4.937 1.00 60.22 H new ATOM 0 HG23 VAL A 399 0.201 11.562 4.191 1.00 60.22 H new ATOM 638 N LEU A 400 -0.233 7.844 0.688 1.00 32.12 N ATOM 639 CA LEU A 400 -0.234 7.338 -0.648 1.00 65.22 C ATOM 640 C LEU A 400 -1.599 6.700 -0.997 1.00 44.34 C ATOM 641 O LEU A 400 -2.135 5.901 -0.223 1.00 74.02 O ATOM 642 CB LEU A 400 0.892 6.292 -0.781 1.00 21.11 C ATOM 643 CG LEU A 400 2.262 6.590 -0.073 1.00 60.43 C ATOM 644 CD1 LEU A 400 3.300 5.543 -0.418 1.00 21.10 C ATOM 645 CD2 LEU A 400 2.799 7.972 -0.360 1.00 44.34 C ATOM 0 H LEU A 400 -0.305 7.132 1.415 1.00 32.12 H new ATOM 0 HA LEU A 400 -0.064 8.160 -1.344 1.00 65.22 H new ATOM 0 HB2 LEU A 400 0.515 5.345 -0.395 1.00 21.11 H new ATOM 0 HB3 LEU A 400 1.089 6.147 -1.843 1.00 21.11 H new ATOM 0 HG LEU A 400 2.054 6.548 0.996 1.00 60.43 H new ATOM 0 HD11 LEU A 400 4.236 5.778 0.088 1.00 21.10 H new ATOM 0 HD12 LEU A 400 2.949 4.563 -0.095 1.00 21.10 H new ATOM 0 HD13 LEU A 400 3.462 5.533 -1.496 1.00 21.10 H new ATOM 0 HD21 LEU A 400 3.747 8.109 0.161 1.00 44.34 H new ATOM 0 HD22 LEU A 400 2.954 8.086 -1.433 1.00 44.34 H new ATOM 0 HD23 LEU A 400 2.084 8.719 -0.015 1.00 44.34 H new ATOM 653 N LYS A 401 -2.150 7.064 -2.150 1.00 35.33 N ATOM 654 CA LYS A 401 -3.426 6.516 -2.626 1.00 71.11 C ATOM 655 C LYS A 401 -3.264 5.689 -3.878 1.00 54.52 C ATOM 656 O LYS A 401 -2.770 6.173 -4.918 1.00 32.05 O ATOM 657 CB LYS A 401 -4.462 7.618 -2.855 1.00 22.34 C ATOM 658 CG LYS A 401 -5.089 8.158 -1.587 1.00 35.02 C ATOM 659 CD LYS A 401 -6.008 7.121 -0.920 1.00 72.33 C ATOM 660 CE LYS A 401 -7.196 6.764 -1.807 1.00 45.04 C ATOM 661 NZ LYS A 401 -8.142 5.849 -1.135 1.00 53.54 N ATOM 0 H LYS A 401 -1.730 7.745 -2.783 1.00 35.33 H new ATOM 0 HA LYS A 401 -3.787 5.858 -1.836 1.00 71.11 H new ATOM 0 HB2 LYS A 401 -3.988 8.440 -3.391 1.00 22.34 H new ATOM 0 HB3 LYS A 401 -5.251 7.230 -3.500 1.00 22.34 H new ATOM 0 HG2 LYS A 401 -4.304 8.451 -0.889 1.00 35.02 H new ATOM 0 HG3 LYS A 401 -5.662 9.056 -1.818 1.00 35.02 H new ATOM 0 HD2 LYS A 401 -5.437 6.220 -0.697 1.00 72.33 H new ATOM 0 HD3 LYS A 401 -6.369 7.513 0.031 1.00 72.33 H new ATOM 0 HE2 LYS A 401 -7.719 7.676 -2.095 1.00 45.04 H new ATOM 0 HE3 LYS A 401 -6.835 6.300 -2.725 1.00 45.04 H new ATOM 0 HZ1 LYS A 401 -8.932 5.635 -1.776 1.00 53.54 H new ATOM 0 HZ2 LYS A 401 -7.652 4.967 -0.883 1.00 53.54 H new ATOM 0 HZ3 LYS A 401 -8.508 6.300 -0.273 1.00 53.54 H new ATOM 675 N TYR A 402 -3.674 4.445 -3.788 1.00 41.04 N ATOM 676 CA TYR A 402 -3.591 3.534 -4.921 1.00 64.01 C ATOM 677 C TYR A 402 -5.003 3.107 -5.268 1.00 31.31 C ATOM 678 O TYR A 402 -5.799 2.842 -4.361 1.00 75.42 O ATOM 679 CB TYR A 402 -2.783 2.288 -4.554 1.00 34.33 C ATOM 680 CG TYR A 402 -1.680 2.531 -3.565 1.00 2.34 C ATOM 681 CD1 TYR A 402 -0.647 3.383 -3.843 1.00 10.20 C ATOM 682 CD2 TYR A 402 -1.688 1.899 -2.331 1.00 72.11 C ATOM 683 CE1 TYR A 402 0.349 3.600 -2.933 1.00 4.35 C ATOM 684 CE2 TYR A 402 -0.685 2.112 -1.422 1.00 54.51 C ATOM 685 CZ TYR A 402 0.326 2.957 -1.729 1.00 12.34 C ATOM 686 OH TYR A 402 1.336 3.155 -0.836 1.00 30.43 O ATOM 0 H TYR A 402 -4.070 4.034 -2.943 1.00 41.04 H new ATOM 0 HA TYR A 402 -3.103 4.033 -5.758 1.00 64.01 H new ATOM 0 HB2 TYR A 402 -3.461 1.538 -4.146 1.00 34.33 H new ATOM 0 HB3 TYR A 402 -2.353 1.868 -5.463 1.00 34.33 H new ATOM 0 HD1 TYR A 402 -0.618 3.892 -4.795 1.00 10.20 H new ATOM 0 HD2 TYR A 402 -2.497 1.228 -2.082 1.00 72.11 H new ATOM 0 HE1 TYR A 402 1.155 4.280 -3.166 1.00 4.35 H new ATOM 0 HE2 TYR A 402 -0.701 1.609 -0.467 1.00 54.51 H new ATOM 0 HH TYR A 402 2.197 2.984 -1.272 1.00 30.43 H new ATOM 696 N GLU A 403 -5.330 3.025 -6.543 1.00 41.32 N ATOM 697 CA GLU A 403 -6.680 2.677 -6.935 1.00 11.31 C ATOM 698 C GLU A 403 -6.688 1.785 -8.128 1.00 21.30 C ATOM 699 O GLU A 403 -5.642 1.494 -8.725 1.00 54.02 O ATOM 700 CB GLU A 403 -7.509 3.918 -7.318 1.00 43.42 C ATOM 701 CG GLU A 403 -7.575 5.001 -6.263 1.00 61.02 C ATOM 702 CD GLU A 403 -8.463 6.134 -6.669 1.00 1.33 C ATOM 703 OE1 GLU A 403 -8.184 6.794 -7.686 1.00 35.12 O ATOM 704 OE2 GLU A 403 -9.451 6.397 -5.956 1.00 3.53 O ATOM 0 H GLU A 403 -4.687 3.193 -7.317 1.00 41.32 H new ATOM 0 HA GLU A 403 -7.113 2.179 -6.067 1.00 11.31 H new ATOM 0 HB2 GLU A 403 -7.092 4.346 -8.229 1.00 43.42 H new ATOM 0 HB3 GLU A 403 -8.525 3.599 -7.552 1.00 43.42 H new ATOM 0 HG2 GLU A 403 -7.939 4.574 -5.329 1.00 61.02 H new ATOM 0 HG3 GLU A 403 -6.571 5.380 -6.071 1.00 61.02 H new ATOM 711 N ASN A 404 -7.881 1.340 -8.428 1.00 53.53 N ATOM 712 CA ASN A 404 -8.254 0.674 -9.650 1.00 72.52 C ATOM 713 C ASN A 404 -7.336 -0.492 -10.002 1.00 0.32 C ATOM 714 O ASN A 404 -6.908 -0.641 -11.141 1.00 71.54 O ATOM 715 CB ASN A 404 -8.297 1.709 -10.756 1.00 71.24 C ATOM 716 CG ASN A 404 -9.400 1.435 -11.728 1.00 42.43 C ATOM 717 OD1 ASN A 404 -9.225 0.775 -12.742 1.00 40.12 O ATOM 718 ND2 ASN A 404 -10.574 1.902 -11.381 1.00 62.31 N ATOM 0 H ASN A 404 -8.667 1.439 -7.785 1.00 53.53 H new ATOM 0 HA ASN A 404 -9.238 0.224 -9.517 1.00 72.52 H new ATOM 0 HB2 ASN A 404 -8.432 2.700 -10.322 1.00 71.24 H new ATOM 0 HB3 ASN A 404 -7.342 1.719 -11.282 1.00 71.24 H new ATOM 0 HD21 ASN A 404 -11.389 1.719 -11.966 1.00 62.31 H new ATOM 0 HD22 ASN A 404 -10.673 2.448 -10.525 1.00 62.31 H new ATOM 724 N GLY A 405 -7.060 -1.318 -9.022 1.00 5.25 N ATOM 725 CA GLY A 405 -6.261 -2.501 -9.242 1.00 12.42 C ATOM 726 C GLY A 405 -7.045 -3.625 -9.916 1.00 1.50 C ATOM 727 O GLY A 405 -7.773 -3.399 -10.885 1.00 61.42 O ATOM 0 H GLY A 405 -7.378 -1.193 -8.061 1.00 5.25 H new ATOM 0 HA2 GLY A 405 -5.400 -2.243 -9.859 1.00 12.42 H new ATOM 0 HA3 GLY A 405 -5.874 -2.856 -8.287 1.00 12.42 H new ATOM 731 N GLN A 406 -6.926 -4.818 -9.389 1.00 1.01 N ATOM 732 CA GLN A 406 -7.562 -5.984 -9.972 1.00 55.12 C ATOM 733 C GLN A 406 -9.044 -5.930 -9.585 1.00 43.01 C ATOM 734 O GLN A 406 -9.388 -5.476 -8.481 1.00 41.43 O ATOM 735 CB GLN A 406 -6.863 -7.256 -9.415 1.00 1.12 C ATOM 736 CG GLN A 406 -6.968 -8.562 -10.237 1.00 72.44 C ATOM 737 CD GLN A 406 -8.355 -9.121 -10.401 1.00 73.14 C ATOM 738 OE1 GLN A 406 -9.060 -8.816 -11.368 1.00 62.22 O ATOM 739 NE2 GLN A 406 -8.755 -9.932 -9.470 1.00 21.33 N ATOM 0 H GLN A 406 -6.387 -5.013 -8.545 1.00 1.01 H new ATOM 0 HA GLN A 406 -7.477 -6.006 -11.058 1.00 55.12 H new ATOM 0 HB2 GLN A 406 -5.805 -7.026 -9.287 1.00 1.12 H new ATOM 0 HB3 GLN A 406 -7.269 -7.453 -8.423 1.00 1.12 H new ATOM 0 HG2 GLN A 406 -6.550 -8.381 -11.227 1.00 72.44 H new ATOM 0 HG3 GLN A 406 -6.345 -9.320 -9.762 1.00 72.44 H new ATOM 0 HE21 GLN A 406 -8.138 -10.156 -8.689 1.00 21.33 H new ATOM 0 HE22 GLN A 406 -9.686 -10.346 -9.519 1.00 21.33 H new ATOM 747 N SER A 407 -9.897 -6.331 -10.491 1.00 31.23 N ATOM 748 CA SER A 407 -11.314 -6.309 -10.289 1.00 45.12 C ATOM 749 C SER A 407 -11.725 -7.263 -9.166 1.00 70.24 C ATOM 750 O SER A 407 -11.339 -8.434 -9.134 1.00 12.15 O ATOM 751 CB SER A 407 -12.042 -6.655 -11.600 1.00 62.21 C ATOM 752 OG SER A 407 -13.456 -6.520 -11.466 1.00 73.23 O ATOM 0 H SER A 407 -9.617 -6.688 -11.405 1.00 31.23 H new ATOM 0 HA SER A 407 -11.603 -5.302 -9.987 1.00 45.12 H new ATOM 0 HB2 SER A 407 -11.687 -6.002 -12.397 1.00 62.21 H new ATOM 0 HB3 SER A 407 -11.799 -7.676 -11.893 1.00 62.21 H new ATOM 0 HG SER A 407 -13.888 -6.745 -12.316 1.00 73.23 H new ATOM 826 N HIS A 413 -12.905 -2.590 -8.513 1.00 22.32 N ATOM 827 CA HIS A 413 -11.443 -2.807 -8.508 1.00 4.34 C ATOM 828 C HIS A 413 -10.927 -2.592 -7.114 1.00 72.34 C ATOM 829 O HIS A 413 -11.544 -1.852 -6.340 1.00 22.31 O ATOM 830 CB HIS A 413 -10.671 -1.803 -9.405 1.00 33.52 C ATOM 831 CG HIS A 413 -10.937 -1.851 -10.870 1.00 75.01 C ATOM 832 ND1 HIS A 413 -10.336 -2.753 -11.713 1.00 24.51 N ATOM 833 CD2 HIS A 413 -11.732 -1.089 -11.647 1.00 22.14 C ATOM 834 CE1 HIS A 413 -10.754 -2.555 -12.932 1.00 61.01 C ATOM 835 NE2 HIS A 413 -11.603 -1.552 -12.926 1.00 32.22 N ATOM 0 HA HIS A 413 -11.283 -3.818 -8.882 1.00 4.34 H new ATOM 0 HB2 HIS A 413 -10.896 -0.796 -9.054 1.00 33.52 H new ATOM 0 HB3 HIS A 413 -9.604 -1.964 -9.250 1.00 33.52 H new ATOM 0 HD1 HIS A 413 -9.666 -3.468 -11.429 1.00 24.51 H new ATOM 0 HD2 HIS A 413 -12.353 -0.268 -11.321 1.00 22.14 H new ATOM 0 HE1 HIS A 413 -10.453 -3.121 -13.801 1.00 61.01 H new ATOM 844 N ARG A 414 -9.813 -3.218 -6.788 1.00 73.01 N ATOM 845 CA ARG A 414 -9.169 -2.987 -5.516 1.00 20.45 C ATOM 846 C ARG A 414 -8.469 -1.643 -5.487 1.00 60.30 C ATOM 847 O ARG A 414 -8.183 -1.043 -6.532 1.00 14.23 O ATOM 848 CB ARG A 414 -8.191 -4.091 -5.143 1.00 65.03 C ATOM 849 CG ARG A 414 -8.829 -5.414 -4.805 1.00 41.30 C ATOM 850 CD ARG A 414 -7.765 -6.470 -4.557 1.00 34.45 C ATOM 851 NE ARG A 414 -8.309 -7.830 -4.415 1.00 42.43 N ATOM 852 CZ ARG A 414 -7.830 -8.763 -3.569 1.00 74.24 C ATOM 853 NH1 ARG A 414 -6.948 -8.433 -2.627 1.00 22.24 N ATOM 854 NH2 ARG A 414 -8.259 -10.013 -3.650 1.00 22.41 N ATOM 0 H ARG A 414 -9.337 -3.891 -7.389 1.00 73.01 H new ATOM 0 HA ARG A 414 -9.965 -2.988 -4.771 1.00 20.45 H new ATOM 0 HB2 ARG A 414 -7.499 -4.239 -5.972 1.00 65.03 H new ATOM 0 HB3 ARG A 414 -7.600 -3.760 -4.289 1.00 65.03 H new ATOM 0 HG2 ARG A 414 -9.456 -5.306 -3.920 1.00 41.30 H new ATOM 0 HG3 ARG A 414 -9.480 -5.730 -5.620 1.00 41.30 H new ATOM 0 HD2 ARG A 414 -7.052 -6.457 -5.382 1.00 34.45 H new ATOM 0 HD3 ARG A 414 -7.212 -6.212 -3.654 1.00 34.45 H new ATOM 0 HE ARG A 414 -9.106 -8.085 -4.999 1.00 42.43 H new ATOM 0 HH11 ARG A 414 -6.630 -7.468 -2.542 1.00 22.24 H new ATOM 0 HH12 ARG A 414 -6.591 -9.146 -1.991 1.00 22.24 H new ATOM 0 HH21 ARG A 414 -8.952 -10.270 -4.353 1.00 22.41 H new ATOM 0 HH22 ARG A 414 -7.896 -10.719 -3.010 1.00 22.41 H new ATOM 866 N SER A 415 -8.214 -1.186 -4.304 1.00 44.12 N ATOM 867 CA SER A 415 -7.585 0.058 -4.045 1.00 74.33 C ATOM 868 C SER A 415 -7.141 0.074 -2.586 1.00 64.21 C ATOM 869 O SER A 415 -7.632 -0.734 -1.786 1.00 20.45 O ATOM 870 CB SER A 415 -8.573 1.191 -4.334 1.00 4.44 C ATOM 871 OG SER A 415 -9.796 0.989 -3.626 1.00 71.45 O ATOM 0 H SER A 415 -8.452 -1.699 -3.455 1.00 44.12 H new ATOM 0 HA SER A 415 -6.713 0.197 -4.684 1.00 74.33 H new ATOM 0 HB2 SER A 415 -8.133 2.146 -4.045 1.00 4.44 H new ATOM 0 HB3 SER A 415 -8.771 1.243 -5.405 1.00 4.44 H new ATOM 0 HG SER A 415 -9.931 0.031 -3.473 1.00 71.45 H new ATOM 877 N ALA A 416 -6.241 0.963 -2.233 1.00 42.14 N ATOM 878 CA ALA A 416 -5.756 1.035 -0.885 1.00 52.31 C ATOM 879 C ALA A 416 -5.168 2.382 -0.603 1.00 74.21 C ATOM 880 O ALA A 416 -4.700 3.082 -1.510 1.00 3.40 O ATOM 881 CB ALA A 416 -4.724 -0.052 -0.612 1.00 33.14 C ATOM 0 H ALA A 416 -5.832 1.647 -2.869 1.00 42.14 H new ATOM 0 HA ALA A 416 -6.606 0.877 -0.221 1.00 52.31 H new ATOM 0 HB1 ALA A 416 -4.375 0.028 0.417 1.00 33.14 H new ATOM 0 HB2 ALA A 416 -5.177 -1.031 -0.766 1.00 33.14 H new ATOM 0 HB3 ALA A 416 -3.880 0.068 -1.292 1.00 33.14 H new ATOM 887 N ILE A 417 -5.240 2.763 0.621 1.00 11.32 N ATOM 888 CA ILE A 417 -4.611 3.952 1.090 1.00 33.34 C ATOM 889 C ILE A 417 -3.512 3.571 2.078 1.00 34.23 C ATOM 890 O ILE A 417 -3.722 2.749 2.970 1.00 53.32 O ATOM 891 CB ILE A 417 -5.622 4.945 1.744 1.00 34.01 C ATOM 892 CG1 ILE A 417 -4.891 6.218 2.188 1.00 44.32 C ATOM 893 CG2 ILE A 417 -6.389 4.302 2.904 1.00 23.53 C ATOM 894 CD1 ILE A 417 -5.780 7.271 2.819 1.00 61.34 C ATOM 0 H ILE A 417 -5.747 2.249 1.342 1.00 11.32 H new ATOM 0 HA ILE A 417 -4.182 4.472 0.234 1.00 33.34 H new ATOM 0 HB ILE A 417 -6.367 5.215 0.995 1.00 34.01 H new ATOM 0 HG12 ILE A 417 -4.113 5.944 2.901 1.00 44.32 H new ATOM 0 HG13 ILE A 417 -4.392 6.654 1.323 1.00 44.32 H new ATOM 0 HG21 ILE A 417 -7.081 5.029 3.330 1.00 23.53 H new ATOM 0 HG22 ILE A 417 -6.947 3.440 2.538 1.00 23.53 H new ATOM 0 HG23 ILE A 417 -5.685 3.979 3.671 1.00 23.53 H new ATOM 0 HD11 ILE A 417 -5.177 8.134 3.101 1.00 61.34 H new ATOM 0 HD12 ILE A 417 -6.543 7.579 2.104 1.00 61.34 H new ATOM 0 HD13 ILE A 417 -6.260 6.858 3.706 1.00 61.34 H new ATOM 901 N VAL A 418 -2.356 4.122 1.887 1.00 43.55 N ATOM 902 CA VAL A 418 -1.226 3.862 2.738 1.00 65.52 C ATOM 903 C VAL A 418 -0.765 5.107 3.460 1.00 74.34 C ATOM 904 O VAL A 418 -0.608 6.172 2.863 1.00 54.21 O ATOM 905 CB VAL A 418 -0.048 3.198 1.954 1.00 1.15 C ATOM 906 CG1 VAL A 418 1.274 3.412 2.639 1.00 63.01 C ATOM 907 CG2 VAL A 418 -0.271 1.712 1.857 1.00 62.12 C ATOM 0 H VAL A 418 -2.162 4.774 1.127 1.00 43.55 H new ATOM 0 HA VAL A 418 -1.561 3.151 3.493 1.00 65.52 H new ATOM 0 HB VAL A 418 -0.023 3.662 0.968 1.00 1.15 H new ATOM 0 HG11 VAL A 418 2.065 2.934 2.061 1.00 63.01 H new ATOM 0 HG12 VAL A 418 1.475 4.481 2.716 1.00 63.01 H new ATOM 0 HG13 VAL A 418 1.241 2.976 3.638 1.00 63.01 H new ATOM 0 HG21 VAL A 418 0.553 1.255 1.309 1.00 62.12 H new ATOM 0 HG22 VAL A 418 -0.322 1.286 2.859 1.00 62.12 H new ATOM 0 HG23 VAL A 418 -1.207 1.518 1.332 1.00 62.12 H new ATOM 913 N THR A 419 -0.585 4.970 4.744 1.00 5.44 N ATOM 914 CA THR A 419 -0.046 6.006 5.545 1.00 13.20 C ATOM 915 C THR A 419 1.361 5.599 5.937 1.00 30.24 C ATOM 916 O THR A 419 1.540 4.590 6.642 1.00 54.13 O ATOM 917 CB THR A 419 -0.897 6.200 6.831 1.00 33.13 C ATOM 918 OG1 THR A 419 -0.973 4.948 7.567 1.00 4.41 O ATOM 919 CG2 THR A 419 -2.302 6.680 6.488 1.00 4.22 C ATOM 0 H THR A 419 -0.815 4.121 5.260 1.00 5.44 H new ATOM 0 HA THR A 419 -0.046 6.943 4.988 1.00 13.20 H new ATOM 0 HB THR A 419 -0.415 6.958 7.448 1.00 33.13 H new ATOM 0 HG1 THR A 419 -0.115 4.478 7.503 1.00 4.41 H new ATOM 0 HG21 THR A 419 -2.877 6.808 7.405 1.00 4.22 H new ATOM 0 HG22 THR A 419 -2.243 7.632 5.961 1.00 4.22 H new ATOM 0 HG23 THR A 419 -2.793 5.944 5.852 1.00 4.22 H new ATOM 925 N VAL A 420 2.352 6.325 5.482 1.00 53.45 N ATOM 926 CA VAL A 420 3.713 5.994 5.831 1.00 24.22 C ATOM 927 C VAL A 420 4.136 6.922 6.942 1.00 62.55 C ATOM 928 O VAL A 420 4.266 8.119 6.746 1.00 44.31 O ATOM 929 CB VAL A 420 4.685 6.158 4.626 1.00 4.04 C ATOM 930 CG1 VAL A 420 6.081 5.686 4.988 1.00 20.33 C ATOM 931 CG2 VAL A 420 4.176 5.419 3.402 1.00 21.53 C ATOM 0 H VAL A 420 2.246 7.139 4.877 1.00 53.45 H new ATOM 0 HA VAL A 420 3.755 4.949 6.138 1.00 24.22 H new ATOM 0 HB VAL A 420 4.732 7.220 4.384 1.00 4.04 H new ATOM 0 HG11 VAL A 420 6.741 5.811 4.130 1.00 20.33 H new ATOM 0 HG12 VAL A 420 6.458 6.274 5.825 1.00 20.33 H new ATOM 0 HG13 VAL A 420 6.048 4.634 5.270 1.00 20.33 H new ATOM 0 HG21 VAL A 420 4.877 5.553 2.578 1.00 21.53 H new ATOM 0 HG22 VAL A 420 4.084 4.357 3.630 1.00 21.53 H new ATOM 0 HG23 VAL A 420 3.201 5.815 3.117 1.00 21.53 H new ATOM 937 N GLU A 421 4.327 6.374 8.104 1.00 50.11 N ATOM 938 CA GLU A 421 4.641 7.164 9.271 1.00 64.03 C ATOM 939 C GLU A 421 6.048 6.872 9.756 1.00 43.32 C ATOM 940 O GLU A 421 6.785 6.123 9.126 1.00 11.04 O ATOM 941 CB GLU A 421 3.635 6.870 10.366 1.00 2.55 C ATOM 942 CG GLU A 421 2.200 7.167 9.980 1.00 34.32 C ATOM 943 CD GLU A 421 1.241 6.718 11.033 1.00 74.22 C ATOM 944 OE1 GLU A 421 0.907 5.522 11.053 1.00 55.33 O ATOM 945 OE2 GLU A 421 0.819 7.528 11.870 1.00 3.32 O ATOM 0 H GLU A 421 4.271 5.370 8.277 1.00 50.11 H new ATOM 0 HA GLU A 421 4.588 8.220 9.006 1.00 64.03 H new ATOM 0 HB2 GLU A 421 3.715 5.820 10.647 1.00 2.55 H new ATOM 0 HB3 GLU A 421 3.892 7.456 11.248 1.00 2.55 H new ATOM 0 HG2 GLU A 421 2.082 8.238 9.813 1.00 34.32 H new ATOM 0 HG3 GLU A 421 1.966 6.670 9.039 1.00 34.32 H new ATOM 952 N CYS A 422 6.402 7.464 10.872 1.00 1.10 N ATOM 953 CA CYS A 422 7.719 7.332 11.456 1.00 62.05 C ATOM 954 C CYS A 422 8.025 5.900 11.789 1.00 65.14 C ATOM 955 O CYS A 422 7.243 5.228 12.465 1.00 64.32 O ATOM 956 CB CYS A 422 7.784 8.146 12.732 1.00 72.12 C ATOM 957 SG CYS A 422 9.360 8.024 13.664 1.00 4.14 S ATOM 0 H CYS A 422 5.774 8.061 11.410 1.00 1.10 H new ATOM 0 HA CYS A 422 8.449 7.689 10.730 1.00 62.05 H new ATOM 0 HB2 CYS A 422 7.608 9.193 12.484 1.00 72.12 H new ATOM 0 HB3 CYS A 422 6.970 7.832 13.385 1.00 72.12 H new ATOM 0 HG CYS A 422 9.292 8.765 14.730 1.00 4.14 H new ATOM 962 N GLY A 423 9.144 5.447 11.339 1.00 52.11 N ATOM 963 CA GLY A 423 9.560 4.121 11.633 1.00 52.54 C ATOM 964 C GLY A 423 11.031 4.016 11.573 1.00 43.32 C ATOM 965 O GLY A 423 11.709 4.995 11.273 1.00 11.31 O ATOM 0 H GLY A 423 9.792 5.982 10.761 1.00 52.11 H new ATOM 0 HA2 GLY A 423 9.209 3.835 12.625 1.00 52.54 H new ATOM 0 HA3 GLY A 423 9.111 3.427 10.923 1.00 52.54 H new ATOM 969 N VAL A 424 11.529 2.859 11.851 1.00 0.41 N ATOM 970 CA VAL A 424 12.937 2.618 11.784 1.00 40.54 C ATOM 971 C VAL A 424 13.272 2.139 10.383 1.00 43.02 C ATOM 972 O VAL A 424 14.317 2.469 9.828 1.00 61.10 O ATOM 973 CB VAL A 424 13.377 1.554 12.832 1.00 33.13 C ATOM 974 CG1 VAL A 424 14.885 1.332 12.794 1.00 52.22 C ATOM 975 CG2 VAL A 424 12.937 1.964 14.232 1.00 22.15 C ATOM 0 H VAL A 424 10.974 2.051 12.132 1.00 0.41 H new ATOM 0 HA VAL A 424 13.472 3.541 12.009 1.00 40.54 H new ATOM 0 HB VAL A 424 12.890 0.613 12.575 1.00 33.13 H new ATOM 0 HG11 VAL A 424 15.161 0.584 13.537 1.00 52.22 H new ATOM 0 HG12 VAL A 424 15.177 0.984 11.803 1.00 52.22 H new ATOM 0 HG13 VAL A 424 15.396 2.269 13.015 1.00 52.22 H new ATOM 0 HG21 VAL A 424 13.254 1.207 14.949 1.00 22.15 H new ATOM 0 HG22 VAL A 424 13.390 2.921 14.490 1.00 22.15 H new ATOM 0 HG23 VAL A 424 11.851 2.057 14.259 1.00 22.15 H new ATOM 981 N GLU A 425 12.351 1.408 9.795 1.00 20.41 N ATOM 982 CA GLU A 425 12.545 0.848 8.489 1.00 24.32 C ATOM 983 C GLU A 425 11.224 0.713 7.794 1.00 73.01 C ATOM 984 O GLU A 425 10.182 0.615 8.436 1.00 21.42 O ATOM 985 CB GLU A 425 13.253 -0.506 8.596 1.00 61.01 C ATOM 986 CG GLU A 425 13.587 -1.134 7.261 1.00 63.13 C ATOM 987 CD GLU A 425 14.318 -2.430 7.403 1.00 3.42 C ATOM 988 OE1 GLU A 425 13.658 -3.486 7.518 1.00 31.40 O ATOM 989 OE2 GLU A 425 15.570 -2.417 7.389 1.00 71.31 O ATOM 0 H GLU A 425 11.448 1.189 10.215 1.00 20.41 H new ATOM 0 HA GLU A 425 13.177 1.513 7.900 1.00 24.32 H new ATOM 0 HB2 GLU A 425 14.173 -0.379 9.166 1.00 61.01 H new ATOM 0 HB3 GLU A 425 12.620 -1.191 9.160 1.00 61.01 H new ATOM 0 HG2 GLU A 425 12.667 -1.300 6.701 1.00 63.13 H new ATOM 0 HG3 GLU A 425 14.194 -0.440 6.679 1.00 63.13 H new ATOM 996 N ASN A 426 11.288 0.762 6.491 1.00 22.24 N ATOM 997 CA ASN A 426 10.156 0.600 5.610 1.00 13.00 C ATOM 998 C ASN A 426 9.474 -0.767 5.777 1.00 55.21 C ATOM 999 O ASN A 426 9.952 -1.790 5.286 1.00 4.00 O ATOM 1000 CB ASN A 426 10.603 0.828 4.159 1.00 23.20 C ATOM 1001 CG ASN A 426 11.934 0.131 3.825 1.00 55.12 C ATOM 1002 OD1 ASN A 426 13.007 0.737 3.920 1.00 32.12 O ATOM 1003 ND2 ASN A 426 11.886 -1.113 3.518 1.00 32.45 N ATOM 0 H ASN A 426 12.163 0.922 5.992 1.00 22.24 H new ATOM 0 HA ASN A 426 9.407 1.345 5.878 1.00 13.00 H new ATOM 0 HB2 ASN A 426 9.829 0.463 3.484 1.00 23.20 H new ATOM 0 HB3 ASN A 426 10.704 1.898 3.979 1.00 23.20 H new ATOM 0 HD21 ASN A 426 12.749 -1.629 3.345 1.00 32.45 H new ATOM 0 HD22 ASN A 426 10.985 -1.586 3.447 1.00 32.45 H new ATOM 1009 N GLU A 427 8.406 -0.786 6.523 1.00 15.23 N ATOM 1010 CA GLU A 427 7.652 -2.009 6.730 1.00 32.54 C ATOM 1011 C GLU A 427 6.154 -1.788 6.548 1.00 14.01 C ATOM 1012 O GLU A 427 5.645 -0.696 6.844 1.00 1.33 O ATOM 1013 CB GLU A 427 7.946 -2.600 8.118 1.00 21.31 C ATOM 1014 CG GLU A 427 7.175 -3.876 8.418 1.00 42.33 C ATOM 1015 CD GLU A 427 7.506 -4.471 9.746 1.00 32.32 C ATOM 1016 OE1 GLU A 427 6.900 -4.074 10.754 1.00 43.22 O ATOM 1017 OE2 GLU A 427 8.372 -5.374 9.800 1.00 63.44 O ATOM 0 H GLU A 427 8.029 0.031 7.004 1.00 15.23 H new ATOM 0 HA GLU A 427 7.973 -2.723 5.971 1.00 32.54 H new ATOM 0 HB2 GLU A 427 9.014 -2.805 8.197 1.00 21.31 H new ATOM 0 HB3 GLU A 427 7.708 -1.855 8.878 1.00 21.31 H new ATOM 0 HG2 GLU A 427 6.107 -3.663 8.380 1.00 42.33 H new ATOM 0 HG3 GLU A 427 7.382 -4.609 7.638 1.00 42.33 H new ATOM 1024 N ILE A 428 5.458 -2.812 6.042 1.00 52.53 N ATOM 1025 CA ILE A 428 4.008 -2.795 5.985 1.00 32.35 C ATOM 1026 C ILE A 428 3.546 -3.168 7.375 1.00 50.42 C ATOM 1027 O ILE A 428 3.876 -4.247 7.876 1.00 20.12 O ATOM 1028 CB ILE A 428 3.439 -3.876 5.028 1.00 2.43 C ATOM 1029 CG1 ILE A 428 4.109 -3.835 3.648 1.00 35.50 C ATOM 1030 CG2 ILE A 428 1.924 -3.697 4.893 1.00 0.33 C ATOM 1031 CD1 ILE A 428 3.883 -2.559 2.896 1.00 24.11 C ATOM 0 H ILE A 428 5.884 -3.660 5.668 1.00 52.53 H new ATOM 0 HA ILE A 428 3.674 -1.818 5.635 1.00 32.35 H new ATOM 0 HB ILE A 428 3.655 -4.853 5.459 1.00 2.43 H new ATOM 0 HG12 ILE A 428 5.181 -3.986 3.772 1.00 35.50 H new ATOM 0 HG13 ILE A 428 3.737 -4.667 3.050 1.00 35.50 H new ATOM 0 HG21 ILE A 428 1.526 -4.457 4.221 1.00 0.33 H new ATOM 0 HG22 ILE A 428 1.457 -3.799 5.873 1.00 0.33 H new ATOM 0 HG23 ILE A 428 1.709 -2.707 4.490 1.00 0.33 H new ATOM 0 HD11 ILE A 428 4.389 -2.610 1.932 1.00 24.11 H new ATOM 0 HD12 ILE A 428 2.814 -2.414 2.738 1.00 24.11 H new ATOM 0 HD13 ILE A 428 4.281 -1.723 3.471 1.00 24.11 H new ATOM 1038 N VAL A 429 2.835 -2.309 7.983 1.00 52.11 N ATOM 1039 CA VAL A 429 2.392 -2.510 9.332 1.00 35.42 C ATOM 1040 C VAL A 429 1.127 -3.327 9.398 1.00 21.33 C ATOM 1041 O VAL A 429 1.070 -4.329 10.103 1.00 31.43 O ATOM 1042 CB VAL A 429 2.179 -1.146 10.026 1.00 0.10 C ATOM 1043 CG1 VAL A 429 1.482 -1.290 11.366 1.00 0.14 C ATOM 1044 CG2 VAL A 429 3.507 -0.451 10.198 1.00 33.10 C ATOM 0 H VAL A 429 2.530 -1.428 7.568 1.00 52.11 H new ATOM 0 HA VAL A 429 3.169 -3.069 9.853 1.00 35.42 H new ATOM 0 HB VAL A 429 1.530 -0.545 9.389 1.00 0.10 H new ATOM 0 HG11 VAL A 429 1.354 -0.306 11.817 1.00 0.14 H new ATOM 0 HG12 VAL A 429 0.506 -1.753 11.221 1.00 0.14 H new ATOM 0 HG13 VAL A 429 2.085 -1.915 12.025 1.00 0.14 H new ATOM 0 HG21 VAL A 429 3.354 0.511 10.688 1.00 33.10 H new ATOM 0 HG22 VAL A 429 4.164 -1.069 10.810 1.00 33.10 H new ATOM 0 HG23 VAL A 429 3.964 -0.292 9.221 1.00 33.10 H new ATOM 1050 N SER A 430 0.141 -2.935 8.648 1.00 43.33 N ATOM 1051 CA SER A 430 -1.142 -3.568 8.732 1.00 0.52 C ATOM 1052 C SER A 430 -1.961 -3.288 7.495 1.00 34.11 C ATOM 1053 O SER A 430 -1.637 -2.374 6.726 1.00 12.41 O ATOM 1054 CB SER A 430 -1.862 -3.053 9.989 1.00 62.33 C ATOM 1055 OG SER A 430 -1.888 -1.625 10.014 1.00 24.30 O ATOM 0 H SER A 430 0.200 -2.177 7.968 1.00 43.33 H new ATOM 0 HA SER A 430 -1.012 -4.648 8.800 1.00 0.52 H new ATOM 0 HB2 SER A 430 -2.881 -3.439 10.013 1.00 62.33 H new ATOM 0 HB3 SER A 430 -1.358 -3.427 10.880 1.00 62.33 H new ATOM 0 HG SER A 430 -2.352 -1.320 10.821 1.00 24.30 H new ATOM 1061 N VAL A 431 -2.989 -4.081 7.293 1.00 25.24 N ATOM 1062 CA VAL A 431 -3.903 -3.914 6.206 1.00 72.44 C ATOM 1063 C VAL A 431 -5.294 -4.234 6.683 1.00 73.33 C ATOM 1064 O VAL A 431 -5.611 -5.379 7.039 1.00 40.35 O ATOM 1065 CB VAL A 431 -3.524 -4.725 4.922 1.00 71.40 C ATOM 1066 CG1 VAL A 431 -3.327 -6.186 5.215 1.00 31.14 C ATOM 1067 CG2 VAL A 431 -4.582 -4.548 3.844 1.00 72.30 C ATOM 0 H VAL A 431 -3.210 -4.873 7.896 1.00 25.24 H new ATOM 0 HA VAL A 431 -3.850 -2.872 5.890 1.00 72.44 H new ATOM 0 HB VAL A 431 -2.575 -4.328 4.562 1.00 71.40 H new ATOM 0 HG11 VAL A 431 -3.065 -6.709 4.295 1.00 31.14 H new ATOM 0 HG12 VAL A 431 -2.524 -6.306 5.942 1.00 31.14 H new ATOM 0 HG13 VAL A 431 -4.249 -6.603 5.620 1.00 31.14 H new ATOM 0 HG21 VAL A 431 -4.300 -5.120 2.960 1.00 72.30 H new ATOM 0 HG22 VAL A 431 -5.543 -4.905 4.215 1.00 72.30 H new ATOM 0 HG23 VAL A 431 -4.663 -3.493 3.583 1.00 72.30 H new ATOM 1073 N LEU A 432 -6.091 -3.246 6.740 1.00 3.41 N ATOM 1074 CA LEU A 432 -7.411 -3.389 7.222 1.00 33.24 C ATOM 1075 C LEU A 432 -8.373 -3.136 6.086 1.00 54.54 C ATOM 1076 O LEU A 432 -8.171 -2.216 5.300 1.00 40.42 O ATOM 1077 CB LEU A 432 -7.641 -2.410 8.371 1.00 23.24 C ATOM 1078 CG LEU A 432 -8.947 -2.554 9.137 1.00 3.24 C ATOM 1079 CD1 LEU A 432 -9.011 -3.924 9.788 1.00 21.33 C ATOM 1080 CD2 LEU A 432 -9.065 -1.461 10.181 1.00 23.45 C ATOM 0 H LEU A 432 -5.847 -2.299 6.450 1.00 3.41 H new ATOM 0 HA LEU A 432 -7.574 -4.398 7.600 1.00 33.24 H new ATOM 0 HB2 LEU A 432 -6.818 -2.515 9.078 1.00 23.24 H new ATOM 0 HB3 LEU A 432 -7.590 -1.397 7.971 1.00 23.24 H new ATOM 0 HG LEU A 432 -9.782 -2.456 8.443 1.00 3.24 H new ATOM 0 HD11 LEU A 432 -9.948 -4.023 10.336 1.00 21.33 H new ATOM 0 HD12 LEU A 432 -8.957 -4.695 9.019 1.00 21.33 H new ATOM 0 HD13 LEU A 432 -8.174 -4.039 10.477 1.00 21.33 H new ATOM 0 HD21 LEU A 432 -10.004 -1.575 10.723 1.00 23.45 H new ATOM 0 HD22 LEU A 432 -8.232 -1.534 10.880 1.00 23.45 H new ATOM 0 HD23 LEU A 432 -9.044 -0.487 9.692 1.00 23.45 H new ATOM 1088 N GLU A 433 -9.378 -3.947 5.971 1.00 20.12 N ATOM 1089 CA GLU A 433 -10.344 -3.776 4.924 1.00 31.12 C ATOM 1090 C GLU A 433 -11.347 -2.709 5.349 1.00 70.52 C ATOM 1091 O GLU A 433 -12.101 -2.893 6.318 1.00 23.12 O ATOM 1092 CB GLU A 433 -11.069 -5.091 4.647 1.00 64.12 C ATOM 1093 CG GLU A 433 -12.082 -5.006 3.522 1.00 34.21 C ATOM 1094 CD GLU A 433 -12.932 -6.244 3.412 1.00 44.30 C ATOM 1095 OE1 GLU A 433 -13.997 -6.291 4.058 1.00 70.35 O ATOM 1096 OE2 GLU A 433 -12.562 -7.174 2.684 1.00 21.21 O ATOM 0 H GLU A 433 -9.554 -4.738 6.591 1.00 20.12 H new ATOM 0 HA GLU A 433 -9.837 -3.466 4.010 1.00 31.12 H new ATOM 0 HB2 GLU A 433 -10.333 -5.857 4.403 1.00 64.12 H new ATOM 0 HB3 GLU A 433 -11.576 -5.414 5.556 1.00 64.12 H new ATOM 0 HG2 GLU A 433 -12.726 -4.141 3.683 1.00 34.21 H new ATOM 0 HG3 GLU A 433 -11.559 -4.844 2.579 1.00 34.21 H new ATOM 1103 N ALA A 434 -11.336 -1.594 4.645 1.00 13.34 N ATOM 1104 CA ALA A 434 -12.229 -0.498 4.936 1.00 43.41 C ATOM 1105 C ALA A 434 -13.623 -0.854 4.475 1.00 25.42 C ATOM 1106 O ALA A 434 -14.516 -1.119 5.279 1.00 33.20 O ATOM 1107 CB ALA A 434 -11.744 0.774 4.251 1.00 32.21 C ATOM 0 H ALA A 434 -10.709 -1.426 3.858 1.00 13.34 H new ATOM 0 HA ALA A 434 -12.245 -0.318 6.011 1.00 43.41 H new ATOM 0 HB1 ALA A 434 -12.427 1.593 4.479 1.00 32.21 H new ATOM 0 HB2 ALA A 434 -10.746 1.023 4.611 1.00 32.21 H new ATOM 0 HB3 ALA A 434 -11.712 0.617 3.173 1.00 32.21 H new ATOM 1113 N GLN A 435 -13.794 -0.896 3.187 1.00 25.53 N ATOM 1114 CA GLN A 435 -15.049 -1.256 2.613 1.00 22.42 C ATOM 1115 C GLN A 435 -15.019 -2.707 2.170 1.00 4.31 C ATOM 1116 O GLN A 435 -15.573 -3.570 2.835 1.00 63.54 O ATOM 1117 CB GLN A 435 -15.418 -0.301 1.481 1.00 40.53 C ATOM 1118 CG GLN A 435 -15.676 1.129 1.952 1.00 42.35 C ATOM 1119 CD GLN A 435 -16.018 2.071 0.821 1.00 75.31 C ATOM 1120 OE1 GLN A 435 -17.186 2.212 0.448 1.00 74.33 O ATOM 1121 NE2 GLN A 435 -15.038 2.750 0.291 1.00 51.35 N ATOM 0 H GLN A 435 -13.065 -0.681 2.507 1.00 25.53 H new ATOM 0 HA GLN A 435 -15.833 -1.163 3.365 1.00 22.42 H new ATOM 0 HB2 GLN A 435 -14.614 -0.294 0.745 1.00 40.53 H new ATOM 0 HB3 GLN A 435 -16.308 -0.675 0.976 1.00 40.53 H new ATOM 0 HG2 GLN A 435 -16.492 1.126 2.674 1.00 42.35 H new ATOM 0 HG3 GLN A 435 -14.792 1.500 2.471 1.00 42.35 H new ATOM 0 HE21 GLN A 435 -14.083 2.610 0.622 1.00 51.35 H new ATOM 0 HE22 GLN A 435 -15.227 3.421 -0.454 1.00 51.35 H new ATOM 1129 N LYS A 436 -14.356 -2.969 1.061 1.00 44.20 N ATOM 1130 CA LYS A 436 -14.163 -4.333 0.577 1.00 70.10 C ATOM 1131 C LYS A 436 -13.020 -4.386 -0.409 1.00 62.41 C ATOM 1132 O LYS A 436 -12.095 -5.162 -0.267 1.00 44.25 O ATOM 1133 CB LYS A 436 -15.451 -4.974 -0.023 1.00 20.13 C ATOM 1134 CG LYS A 436 -16.096 -4.285 -1.244 1.00 23.43 C ATOM 1135 CD LYS A 436 -16.820 -2.990 -0.903 1.00 73.25 C ATOM 1136 CE LYS A 436 -18.015 -3.230 0.019 1.00 13.33 C ATOM 1137 NZ LYS A 436 -18.997 -4.175 -0.567 1.00 62.31 N ATOM 0 H LYS A 436 -13.936 -2.252 0.469 1.00 44.20 H new ATOM 0 HA LYS A 436 -13.914 -4.936 1.450 1.00 70.10 H new ATOM 0 HB2 LYS A 436 -15.215 -6.000 -0.304 1.00 20.13 H new ATOM 0 HB3 LYS A 436 -16.200 -5.024 0.768 1.00 20.13 H new ATOM 0 HG2 LYS A 436 -15.322 -4.075 -1.982 1.00 23.43 H new ATOM 0 HG3 LYS A 436 -16.801 -4.974 -1.709 1.00 23.43 H new ATOM 0 HD2 LYS A 436 -16.125 -2.301 -0.424 1.00 73.25 H new ATOM 0 HD3 LYS A 436 -17.161 -2.512 -1.821 1.00 73.25 H new ATOM 0 HE2 LYS A 436 -17.662 -3.621 0.973 1.00 13.33 H new ATOM 0 HE3 LYS A 436 -18.507 -2.280 0.227 1.00 13.33 H new ATOM 0 HZ1 LYS A 436 -19.887 -4.128 -0.031 1.00 62.31 H new ATOM 0 HZ2 LYS A 436 -19.176 -3.919 -1.559 1.00 62.31 H new ATOM 0 HZ3 LYS A 436 -18.617 -5.142 -0.523 1.00 62.31 H new ATOM 1151 N CYS A 437 -13.081 -3.518 -1.374 1.00 45.44 N ATOM 1152 CA CYS A 437 -12.076 -3.427 -2.405 1.00 41.25 C ATOM 1153 C CYS A 437 -11.152 -2.288 -2.088 1.00 72.50 C ATOM 1154 O CYS A 437 -10.372 -1.857 -2.902 1.00 33.33 O ATOM 1155 CB CYS A 437 -12.751 -3.160 -3.728 1.00 53.53 C ATOM 1156 SG CYS A 437 -13.981 -4.405 -4.196 1.00 33.42 S ATOM 0 H CYS A 437 -13.838 -2.842 -1.474 1.00 45.44 H new ATOM 0 HA CYS A 437 -11.512 -4.359 -2.458 1.00 41.25 H new ATOM 0 HB2 CYS A 437 -13.235 -2.184 -3.686 1.00 53.53 H new ATOM 0 HB3 CYS A 437 -11.991 -3.105 -4.507 1.00 53.53 H new ATOM 0 HG CYS A 437 -14.505 -4.087 -5.342 1.00 33.42 H new ATOM 1161 N GLU A 438 -11.253 -1.818 -0.899 1.00 61.22 N ATOM 1162 CA GLU A 438 -10.476 -0.726 -0.440 1.00 34.31 C ATOM 1163 C GLU A 438 -9.953 -1.044 0.922 1.00 13.42 C ATOM 1164 O GLU A 438 -10.720 -1.398 1.837 1.00 41.25 O ATOM 1165 CB GLU A 438 -11.295 0.552 -0.463 1.00 60.04 C ATOM 1166 CG GLU A 438 -10.647 1.723 0.245 1.00 14.22 C ATOM 1167 CD GLU A 438 -11.450 2.984 0.144 1.00 43.20 C ATOM 1168 OE1 GLU A 438 -12.413 3.153 0.916 1.00 52.21 O ATOM 1169 OE2 GLU A 438 -11.111 3.844 -0.692 1.00 61.35 O ATOM 0 H GLU A 438 -11.895 -2.192 -0.200 1.00 61.22 H new ATOM 0 HA GLU A 438 -9.625 -0.562 -1.101 1.00 34.31 H new ATOM 0 HB2 GLU A 438 -11.484 0.829 -1.500 1.00 60.04 H new ATOM 0 HB3 GLU A 438 -12.264 0.356 -0.004 1.00 60.04 H new ATOM 0 HG2 GLU A 438 -10.505 1.472 1.296 1.00 14.22 H new ATOM 0 HG3 GLU A 438 -9.657 1.894 -0.178 1.00 14.22 H new ATOM 1176 N TYR A 439 -8.668 -0.960 1.051 1.00 45.14 N ATOM 1177 CA TYR A 439 -7.999 -1.327 2.256 1.00 24.31 C ATOM 1178 C TYR A 439 -7.190 -0.148 2.768 1.00 75.23 C ATOM 1179 O TYR A 439 -6.751 0.697 1.982 1.00 3.12 O ATOM 1180 CB TYR A 439 -7.042 -2.490 1.951 1.00 43.20 C ATOM 1181 CG TYR A 439 -7.677 -3.621 1.155 1.00 44.32 C ATOM 1182 CD1 TYR A 439 -8.351 -4.659 1.780 1.00 4.31 C ATOM 1183 CD2 TYR A 439 -7.598 -3.637 -0.239 1.00 32.23 C ATOM 1184 CE1 TYR A 439 -8.926 -5.675 1.038 1.00 31.25 C ATOM 1185 CE2 TYR A 439 -8.167 -4.637 -0.973 1.00 34.43 C ATOM 1186 CZ TYR A 439 -8.826 -5.654 -0.342 1.00 64.24 C ATOM 1187 OH TYR A 439 -9.389 -6.655 -1.091 1.00 62.32 O ATOM 0 H TYR A 439 -8.046 -0.630 0.313 1.00 45.14 H new ATOM 0 HA TYR A 439 -8.730 -1.622 3.008 1.00 24.31 H new ATOM 0 HB2 TYR A 439 -6.185 -2.106 1.397 1.00 43.20 H new ATOM 0 HB3 TYR A 439 -6.661 -2.890 2.891 1.00 43.20 H new ATOM 0 HD1 TYR A 439 -8.428 -4.674 2.857 1.00 4.31 H new ATOM 0 HD2 TYR A 439 -7.075 -2.841 -0.748 1.00 32.23 H new ATOM 0 HE1 TYR A 439 -9.450 -6.480 1.533 1.00 31.25 H new ATOM 0 HE2 TYR A 439 -8.096 -4.624 -2.051 1.00 34.43 H new ATOM 0 HH TYR A 439 -10.364 -6.560 -1.084 1.00 62.32 H new ATOM 1197 N LEU A 440 -7.024 -0.070 4.055 1.00 63.11 N ATOM 1198 CA LEU A 440 -6.159 0.914 4.637 1.00 22.11 C ATOM 1199 C LEU A 440 -4.942 0.212 5.176 1.00 1.13 C ATOM 1200 O LEU A 440 -5.047 -0.708 5.996 1.00 42.21 O ATOM 1201 CB LEU A 440 -6.830 1.835 5.709 1.00 1.43 C ATOM 1202 CG LEU A 440 -7.498 1.190 6.943 1.00 41.44 C ATOM 1203 CD1 LEU A 440 -7.738 2.251 8.004 1.00 30.02 C ATOM 1204 CD2 LEU A 440 -8.840 0.582 6.575 1.00 42.31 C ATOM 0 H LEU A 440 -7.482 -0.684 4.729 1.00 63.11 H new ATOM 0 HA LEU A 440 -5.882 1.613 3.848 1.00 22.11 H new ATOM 0 HB2 LEU A 440 -6.069 2.526 6.071 1.00 1.43 H new ATOM 0 HB3 LEU A 440 -7.587 2.433 5.201 1.00 1.43 H new ATOM 0 HG LEU A 440 -6.834 0.410 7.317 1.00 41.44 H new ATOM 0 HD11 LEU A 440 -8.209 1.795 8.875 1.00 30.02 H new ATOM 0 HD12 LEU A 440 -6.786 2.694 8.297 1.00 30.02 H new ATOM 0 HD13 LEU A 440 -8.391 3.026 7.602 1.00 30.02 H new ATOM 0 HD21 LEU A 440 -9.291 0.134 7.460 1.00 42.31 H new ATOM 0 HD22 LEU A 440 -9.498 1.360 6.187 1.00 42.31 H new ATOM 0 HD23 LEU A 440 -8.696 -0.185 5.814 1.00 42.31 H new ATOM 1212 N ILE A 441 -3.817 0.606 4.683 1.00 61.15 N ATOM 1213 CA ILE A 441 -2.560 0.000 5.008 1.00 65.11 C ATOM 1214 C ILE A 441 -1.650 1.017 5.679 1.00 33.34 C ATOM 1215 O ILE A 441 -1.554 2.172 5.250 1.00 11.35 O ATOM 1216 CB ILE A 441 -1.894 -0.555 3.713 1.00 42.14 C ATOM 1217 CG1 ILE A 441 -2.739 -1.687 3.119 1.00 62.24 C ATOM 1218 CG2 ILE A 441 -0.461 -1.027 3.968 1.00 51.12 C ATOM 1219 CD1 ILE A 441 -2.294 -2.143 1.749 1.00 45.12 C ATOM 0 H ILE A 441 -3.739 1.380 4.024 1.00 61.15 H new ATOM 0 HA ILE A 441 -2.727 -0.826 5.700 1.00 65.11 H new ATOM 0 HB ILE A 441 -1.844 0.261 2.992 1.00 42.14 H new ATOM 0 HG12 ILE A 441 -2.713 -2.539 3.799 1.00 62.24 H new ATOM 0 HG13 ILE A 441 -3.776 -1.358 3.060 1.00 62.24 H new ATOM 0 HG21 ILE A 441 -0.032 -1.407 3.040 1.00 51.12 H new ATOM 0 HG22 ILE A 441 0.138 -0.191 4.329 1.00 51.12 H new ATOM 0 HG23 ILE A 441 -0.467 -1.820 4.716 1.00 51.12 H new ATOM 0 HD11 ILE A 441 -2.945 -2.946 1.403 1.00 45.12 H new ATOM 0 HD12 ILE A 441 -2.347 -1.307 1.052 1.00 45.12 H new ATOM 0 HD13 ILE A 441 -1.268 -2.506 1.802 1.00 45.12 H new ATOM 1226 N LYS A 442 -1.011 0.612 6.728 1.00 44.31 N ATOM 1227 CA LYS A 442 -0.123 1.470 7.421 1.00 64.42 C ATOM 1228 C LYS A 442 1.295 1.014 7.196 1.00 4.20 C ATOM 1229 O LYS A 442 1.552 -0.173 7.111 1.00 1.52 O ATOM 1230 CB LYS A 442 -0.480 1.501 8.894 1.00 24.22 C ATOM 1231 CG LYS A 442 0.396 2.411 9.729 1.00 12.23 C ATOM 1232 CD LYS A 442 -0.106 2.508 11.152 1.00 2.55 C ATOM 1233 CE LYS A 442 -1.510 3.099 11.196 1.00 60.15 C ATOM 1234 NZ LYS A 442 -1.570 4.453 10.572 1.00 64.22 N ATOM 0 H LYS A 442 -1.094 -0.324 7.124 1.00 44.31 H new ATOM 0 HA LYS A 442 -0.213 2.487 7.040 1.00 64.42 H new ATOM 0 HB2 LYS A 442 -1.517 1.819 8.998 1.00 24.22 H new ATOM 0 HB3 LYS A 442 -0.416 0.489 9.293 1.00 24.22 H new ATOM 0 HG2 LYS A 442 1.419 2.035 9.728 1.00 12.23 H new ATOM 0 HG3 LYS A 442 0.421 3.405 9.282 1.00 12.23 H new ATOM 0 HD2 LYS A 442 -0.110 1.518 11.609 1.00 2.55 H new ATOM 0 HD3 LYS A 442 0.572 3.127 11.739 1.00 2.55 H new ATOM 0 HE2 LYS A 442 -2.200 2.432 10.679 1.00 60.15 H new ATOM 0 HE3 LYS A 442 -1.844 3.163 12.232 1.00 60.15 H new ATOM 0 HZ1 LYS A 442 -2.466 4.914 10.828 1.00 64.22 H new ATOM 0 HZ2 LYS A 442 -0.774 5.029 10.914 1.00 64.22 H new ATOM 0 HZ3 LYS A 442 -1.511 4.361 9.538 1.00 64.22 H new ATOM 1248 N MET A 443 2.197 1.949 7.043 1.00 32.24 N ATOM 1249 CA MET A 443 3.590 1.655 6.848 1.00 33.54 C ATOM 1250 C MET A 443 4.404 2.578 7.692 1.00 75.22 C ATOM 1251 O MET A 443 3.897 3.600 8.169 1.00 2.01 O ATOM 1252 CB MET A 443 4.008 1.825 5.384 1.00 63.14 C ATOM 1253 CG MET A 443 3.340 0.877 4.416 1.00 60.43 C ATOM 1254 SD MET A 443 3.946 1.068 2.730 1.00 74.02 S ATOM 1255 CE MET A 443 5.688 0.709 2.960 1.00 23.40 C ATOM 0 H MET A 443 1.981 2.946 7.051 1.00 32.24 H new ATOM 0 HA MET A 443 3.758 0.616 7.131 1.00 33.54 H new ATOM 0 HB2 MET A 443 3.791 2.848 5.076 1.00 63.14 H new ATOM 0 HB3 MET A 443 5.088 1.693 5.312 1.00 63.14 H new ATOM 0 HG2 MET A 443 3.507 -0.149 4.744 1.00 60.43 H new ATOM 0 HG3 MET A 443 2.263 1.046 4.432 1.00 60.43 H new ATOM 0 HE1 MET A 443 6.117 0.368 2.018 1.00 23.40 H new ATOM 0 HE2 MET A 443 6.205 1.611 3.289 1.00 23.40 H new ATOM 0 HE3 MET A 443 5.803 -0.070 3.714 1.00 23.40 H new ATOM 1265 N LYS A 444 5.637 2.235 7.903 1.00 61.22 N ATOM 1266 CA LYS A 444 6.533 3.081 8.649 1.00 0.34 C ATOM 1267 C LYS A 444 7.810 3.186 7.892 1.00 34.10 C ATOM 1268 O LYS A 444 8.152 2.281 7.130 1.00 10.52 O ATOM 1269 CB LYS A 444 6.829 2.516 10.032 1.00 44.13 C ATOM 1270 CG LYS A 444 5.620 2.205 10.836 1.00 63.44 C ATOM 1271 CD LYS A 444 4.952 3.457 11.308 1.00 3.21 C ATOM 1272 CE LYS A 444 3.629 3.115 11.890 1.00 21.51 C ATOM 1273 NZ LYS A 444 2.922 4.261 12.490 1.00 11.41 N ATOM 0 H LYS A 444 6.055 1.367 7.568 1.00 61.22 H new ATOM 0 HA LYS A 444 6.061 4.055 8.779 1.00 0.34 H new ATOM 0 HB2 LYS A 444 7.421 1.608 9.922 1.00 44.13 H new ATOM 0 HB3 LYS A 444 7.442 3.231 10.580 1.00 44.13 H new ATOM 0 HG2 LYS A 444 4.922 1.620 10.237 1.00 63.44 H new ATOM 0 HG3 LYS A 444 5.897 1.591 11.693 1.00 63.44 H new ATOM 0 HD2 LYS A 444 5.572 3.956 12.053 1.00 3.21 H new ATOM 0 HD3 LYS A 444 4.829 4.153 10.478 1.00 3.21 H new ATOM 0 HE2 LYS A 444 3.002 2.682 11.111 1.00 21.51 H new ATOM 0 HE3 LYS A 444 3.766 2.347 12.651 1.00 21.51 H new ATOM 0 HZ1 LYS A 444 2.530 3.983 13.412 1.00 11.41 H new ATOM 0 HZ2 LYS A 444 3.587 5.050 12.620 1.00 11.41 H new ATOM 0 HZ3 LYS A 444 2.149 4.560 11.862 1.00 11.41 H new ATOM 1287 N SER A 445 8.483 4.279 8.062 1.00 42.22 N ATOM 1288 CA SER A 445 9.774 4.535 7.418 1.00 44.12 C ATOM 1289 C SER A 445 10.514 5.657 8.157 1.00 43.55 C ATOM 1290 O SER A 445 9.879 6.550 8.729 1.00 60.43 O ATOM 1291 CB SER A 445 9.589 4.920 5.929 1.00 70.24 C ATOM 1292 OG SER A 445 9.010 3.865 5.180 1.00 63.54 O ATOM 0 H SER A 445 8.164 5.043 8.657 1.00 42.22 H new ATOM 0 HA SER A 445 10.363 3.619 7.463 1.00 44.12 H new ATOM 0 HB2 SER A 445 8.957 5.805 5.858 1.00 70.24 H new ATOM 0 HB3 SER A 445 10.555 5.183 5.499 1.00 70.24 H new ATOM 0 HG SER A 445 8.660 3.184 5.791 1.00 63.54 H new ATOM 1298 N PRO A 446 11.862 5.625 8.169 1.00 74.42 N ATOM 1299 CA PRO A 446 12.681 6.664 8.832 1.00 13.42 C ATOM 1300 C PRO A 446 12.513 8.037 8.168 1.00 33.22 C ATOM 1301 O PRO A 446 12.626 9.083 8.810 1.00 72.12 O ATOM 1302 CB PRO A 446 14.122 6.155 8.642 1.00 53.13 C ATOM 1303 CG PRO A 446 14.050 5.213 7.491 1.00 33.10 C ATOM 1304 CD PRO A 446 12.701 4.569 7.575 1.00 34.41 C ATOM 0 HA PRO A 446 12.398 6.807 9.875 1.00 13.42 H new ATOM 0 HB2 PRO A 446 14.807 6.977 8.436 1.00 53.13 H new ATOM 0 HB3 PRO A 446 14.485 5.654 9.540 1.00 53.13 H new ATOM 0 HG2 PRO A 446 14.173 5.741 6.545 1.00 33.10 H new ATOM 0 HG3 PRO A 446 14.843 4.468 7.546 1.00 33.10 H new ATOM 0 HD2 PRO A 446 12.336 4.269 6.593 1.00 34.41 H new ATOM 0 HD3 PRO A 446 12.720 3.673 8.195 1.00 34.41 H new ATOM 1312 N ALA A 447 12.197 8.016 6.887 1.00 11.12 N ATOM 1313 CA ALA A 447 12.014 9.226 6.113 1.00 53.14 C ATOM 1314 C ALA A 447 10.679 9.878 6.444 1.00 74.32 C ATOM 1315 O ALA A 447 10.504 11.082 6.293 1.00 12.24 O ATOM 1316 CB ALA A 447 12.100 8.910 4.625 1.00 62.42 C ATOM 0 H ALA A 447 12.060 7.157 6.354 1.00 11.12 H new ATOM 0 HA ALA A 447 12.807 9.928 6.370 1.00 53.14 H new ATOM 0 HB1 ALA A 447 11.961 9.826 4.050 1.00 62.42 H new ATOM 0 HB2 ALA A 447 13.078 8.484 4.399 1.00 62.42 H new ATOM 0 HB3 ALA A 447 11.323 8.194 4.360 1.00 62.42 H new ATOM 1322 N ALA A 448 9.768 9.077 6.960 1.00 40.42 N ATOM 1323 CA ALA A 448 8.417 9.513 7.242 1.00 42.12 C ATOM 1324 C ALA A 448 8.264 9.896 8.687 1.00 65.05 C ATOM 1325 O ALA A 448 7.151 10.004 9.195 1.00 22.34 O ATOM 1326 CB ALA A 448 7.470 8.394 6.944 1.00 2.14 C ATOM 0 H ALA A 448 9.946 8.101 7.196 1.00 40.42 H new ATOM 0 HA ALA A 448 8.200 10.382 6.621 1.00 42.12 H new ATOM 0 HB1 ALA A 448 6.450 8.715 7.154 1.00 2.14 H new ATOM 0 HB2 ALA A 448 7.554 8.116 5.893 1.00 2.14 H new ATOM 0 HB3 ALA A 448 7.715 7.534 7.567 1.00 2.14 H new