USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 456 GLN : amide:sc= 0.641 K(o=1.5,f=-0.61) USER MOD Set 1.2: A 460 GLN : amide:sc= 0.817 K(o=1.5,f=-0.2) USER MOD Set 2.1: A 451 ASN : amide:sc= 1.69 K(o=1.7,f=-9.8!) USER MOD Set 2.2: A 454 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 402 ASN : amide:sc= 0.876 K(o=1.2,f=-4.4!) USER MOD Set 3.2: A 448 SER OG : rot 109:sc= 0.299 USER MOD Set 4.1: A 393 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 429 SER OG : rot 26:sc= 0.474 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 0.751 K(o=0.75,f=-0.0024) USER MOD Single : A 415 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 419 GLN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 420 MET CE :methyl 167:sc= 0 (180deg=-0.353) USER MOD Single : A 422 MET CE :methyl -173:sc= -0.433 (180deg=-0.474) USER MOD Single : A 426 ASN : amide:sc= -0.0254 K(o=-0.025,f=-0.94) USER MOD Single : A 431 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.17) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 449 TYR OH : rot -154:sc= 1.09 USER MOD Single : A 461 SER OG : rot 99:sc= 1.12 USER MOD Single : A 462 MET CE :methyl -158:sc= 0 (180deg=-0.302) USER MOD Single : A 463 ASN : amide:sc= 0.771 K(o=0.77,f=-6.3!) USER MOD Single : A 466 GLN : amide:sc= 0.213 K(o=0.21,f=-4!) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.377 K(o=0.38,f=-5.5!) USER MOD Single : A 477 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.917) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.065 2.040 -2.166 1.00 0.00 N ATOM 183 CA ALA A 391 -9.941 0.710 -1.566 1.00 0.00 C ATOM 184 C ALA A 391 -10.438 -0.373 -2.533 1.00 0.00 C ATOM 185 O ALA A 391 -11.599 -0.367 -2.945 1.00 0.00 O ATOM 186 CB ALA A 391 -10.733 0.691 -0.253 1.00 0.00 C ATOM 0 HA ALA A 391 -8.893 0.495 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.651 -0.294 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.331 1.443 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.781 0.910 -0.457 1.00 0.00 H new ATOM 192 N GLY A 392 -9.545 -1.291 -2.908 1.00 0.00 N ATOM 193 CA GLY A 392 -9.804 -2.354 -3.884 1.00 0.00 C ATOM 194 C GLY A 392 -9.509 -1.936 -5.326 1.00 0.00 C ATOM 195 O GLY A 392 -9.554 -2.779 -6.221 1.00 0.00 O ATOM 0 H GLY A 392 -8.597 -1.317 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.197 -3.224 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.847 -2.661 -3.808 1.00 0.00 H new ATOM 199 N SER A 393 -9.188 -0.664 -5.566 1.00 0.00 N ATOM 200 CA SER A 393 -8.735 -0.171 -6.870 1.00 0.00 C ATOM 201 C SER A 393 -7.210 -0.329 -7.024 1.00 0.00 C ATOM 202 O SER A 393 -6.479 -0.502 -6.041 1.00 0.00 O ATOM 203 CB SER A 393 -9.184 1.279 -7.076 1.00 0.00 C ATOM 204 OG SER A 393 -9.077 1.626 -8.450 1.00 0.00 O ATOM 0 H SER A 393 -9.235 0.063 -4.852 1.00 0.00 H new ATOM 0 HA SER A 393 -9.197 -0.776 -7.650 1.00 0.00 H new ATOM 0 HB2 SER A 393 -10.214 1.402 -6.740 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.570 1.948 -6.474 1.00 0.00 H new ATOM 0 HG SER A 393 -9.367 2.554 -8.577 1.00 0.00 H new ATOM 210 N GLN A 394 -6.721 -0.310 -8.267 1.00 0.00 N ATOM 211 CA GLN A 394 -5.341 -0.665 -8.621 1.00 0.00 C ATOM 212 C GLN A 394 -4.716 0.326 -9.625 1.00 0.00 C ATOM 213 O GLN A 394 -3.767 -0.009 -10.338 1.00 0.00 O ATOM 214 CB GLN A 394 -5.285 -2.132 -9.098 1.00 0.00 C ATOM 215 CG GLN A 394 -5.698 -3.141 -8.009 1.00 0.00 C ATOM 216 CD GLN A 394 -5.491 -4.587 -8.465 1.00 0.00 C ATOM 217 OE1 GLN A 394 -6.212 -5.116 -9.303 1.00 0.00 O ATOM 218 NE2 GLN A 394 -4.504 -5.287 -7.940 1.00 0.00 N ATOM 0 H GLN A 394 -7.284 -0.042 -9.074 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.721 -0.583 -7.728 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.939 -2.252 -9.962 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.273 -2.361 -9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -5.117 -2.958 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.746 -2.988 -7.750 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -3.894 -4.863 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -4.351 -6.252 -8.233 1.00 0.00 H new ATOM 227 N LYS A 395 -5.234 1.559 -9.690 1.00 0.00 N ATOM 228 CA LYS A 395 -4.588 2.670 -10.398 1.00 0.00 C ATOM 229 C LYS A 395 -3.293 3.122 -9.689 1.00 0.00 C ATOM 230 O LYS A 395 -2.984 2.698 -8.571 1.00 0.00 O ATOM 231 CB LYS A 395 -5.577 3.849 -10.524 1.00 0.00 C ATOM 232 CG LYS A 395 -6.408 3.789 -11.811 1.00 0.00 C ATOM 233 CD LYS A 395 -7.148 5.111 -12.075 1.00 0.00 C ATOM 234 CE LYS A 395 -6.172 6.280 -12.315 1.00 0.00 C ATOM 235 NZ LYS A 395 -6.891 7.533 -12.669 1.00 0.00 N ATOM 0 H LYS A 395 -6.118 1.815 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.308 2.324 -11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.246 3.850 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.023 4.787 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -5.756 3.563 -12.655 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.130 2.976 -11.740 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -7.797 4.996 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -7.790 5.343 -11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -5.574 6.444 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -5.481 6.018 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -6.202 8.297 -12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -7.442 7.383 -13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -7.532 7.796 -11.894 1.00 0.00 H new ATOM 249 N GLU A 396 -2.560 4.044 -10.317 1.00 0.00 N ATOM 250 CA GLU A 396 -1.397 4.701 -9.722 1.00 0.00 C ATOM 251 C GLU A 396 -1.214 6.135 -10.238 1.00 0.00 C ATOM 252 O GLU A 396 -1.742 6.508 -11.290 1.00 0.00 O ATOM 253 CB GLU A 396 -0.140 3.829 -9.902 1.00 0.00 C ATOM 254 CG GLU A 396 0.353 3.739 -11.352 1.00 0.00 C ATOM 255 CD GLU A 396 1.449 2.676 -11.488 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.121 1.491 -11.727 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.651 3.003 -11.361 1.00 0.00 O ATOM 0 H GLU A 396 -2.761 4.359 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.571 4.802 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.661 4.231 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.352 2.824 -9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.481 3.495 -12.010 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.738 4.708 -11.671 1.00 0.00 H new ATOM 264 N GLY A 397 -0.492 6.944 -9.459 1.00 0.00 N ATOM 265 CA GLY A 397 -0.236 8.368 -9.698 1.00 0.00 C ATOM 266 C GLY A 397 1.152 8.648 -10.300 1.00 0.00 C ATOM 267 O GLY A 397 1.765 7.740 -10.875 1.00 0.00 O ATOM 0 H GLY A 397 -0.049 6.609 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.000 8.759 -10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.331 8.909 -8.757 1.00 0.00 H new ATOM 271 N PRO A 398 1.644 9.900 -10.198 1.00 0.00 N ATOM 272 CA PRO A 398 2.900 10.337 -10.810 1.00 0.00 C ATOM 273 C PRO A 398 4.136 9.778 -10.085 1.00 0.00 C ATOM 274 O PRO A 398 4.031 9.107 -9.059 1.00 0.00 O ATOM 275 CB PRO A 398 2.842 11.870 -10.782 1.00 0.00 C ATOM 276 CG PRO A 398 2.004 12.167 -9.542 1.00 0.00 C ATOM 277 CD PRO A 398 0.988 11.026 -9.539 1.00 0.00 C ATOM 0 HA PRO A 398 3.003 9.959 -11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.837 12.309 -10.710 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.381 12.272 -11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.610 12.171 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.518 13.141 -9.606 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.696 10.766 -8.521 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.079 11.312 -10.068 1.00 0.00 H new ATOM 285 N GLU A 399 5.324 10.062 -10.629 1.00 0.00 N ATOM 286 CA GLU A 399 6.611 9.628 -10.075 1.00 0.00 C ATOM 287 C GLU A 399 6.785 10.096 -8.617 1.00 0.00 C ATOM 288 O GLU A 399 6.672 11.286 -8.307 1.00 0.00 O ATOM 289 CB GLU A 399 7.750 10.135 -10.975 1.00 0.00 C ATOM 290 CG GLU A 399 9.120 9.584 -10.559 1.00 0.00 C ATOM 291 CD GLU A 399 10.215 10.038 -11.536 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.812 11.121 -11.324 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.492 9.312 -12.521 1.00 0.00 O ATOM 0 H GLU A 399 5.420 10.611 -11.483 1.00 0.00 H new ATOM 0 HA GLU A 399 6.639 8.539 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.546 9.851 -12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.776 11.224 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.362 9.924 -9.552 1.00 0.00 H new ATOM 0 HG3 GLU A 399 9.084 8.495 -10.528 1.00 0.00 H new ATOM 300 N GLY A 400 7.047 9.141 -7.715 1.00 0.00 N ATOM 301 CA GLY A 400 7.215 9.372 -6.273 1.00 0.00 C ATOM 302 C GLY A 400 5.920 9.276 -5.457 1.00 0.00 C ATOM 303 O GLY A 400 5.980 9.313 -4.229 1.00 0.00 O ATOM 0 H GLY A 400 7.151 8.160 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.930 8.647 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.650 10.360 -6.125 1.00 0.00 H new ATOM 307 N ALA A 401 4.755 9.154 -6.104 1.00 0.00 N ATOM 308 CA ALA A 401 3.445 9.106 -5.442 1.00 0.00 C ATOM 309 C ALA A 401 2.955 7.683 -5.103 1.00 0.00 C ATOM 310 O ALA A 401 1.914 7.535 -4.463 1.00 0.00 O ATOM 311 CB ALA A 401 2.437 9.837 -6.337 1.00 0.00 C ATOM 0 H ALA A 401 4.695 9.085 -7.120 1.00 0.00 H new ATOM 0 HA ALA A 401 3.544 9.597 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.453 9.817 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.753 10.871 -6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.387 9.343 -7.307 1.00 0.00 H new ATOM 317 N ASN A 402 3.689 6.647 -5.525 1.00 0.00 N ATOM 318 CA ASN A 402 3.251 5.247 -5.490 1.00 0.00 C ATOM 319 C ASN A 402 4.087 4.442 -4.483 1.00 0.00 C ATOM 320 O ASN A 402 5.316 4.397 -4.578 1.00 0.00 O ATOM 321 CB ASN A 402 3.316 4.673 -6.918 1.00 0.00 C ATOM 322 CG ASN A 402 2.655 5.590 -7.952 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.652 6.247 -7.698 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.217 5.702 -9.141 1.00 0.00 N ATOM 0 H ASN A 402 4.627 6.762 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 402 2.219 5.180 -5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.358 4.512 -7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.827 3.699 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.816 6.330 -9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.052 5.160 -9.363 1.00 0.00 H new ATOM 331 N LEU A 403 3.414 3.825 -3.506 1.00 0.00 N ATOM 332 CA LEU A 403 3.987 3.207 -2.306 1.00 0.00 C ATOM 333 C LEU A 403 3.607 1.731 -2.168 1.00 0.00 C ATOM 334 O LEU A 403 2.449 1.361 -2.379 1.00 0.00 O ATOM 335 CB LEU A 403 3.453 3.917 -1.038 1.00 0.00 C ATOM 336 CG LEU A 403 3.459 5.456 -0.998 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.010 5.920 0.395 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.845 6.015 -1.312 1.00 0.00 C ATOM 0 H LEU A 403 2.398 3.739 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 403 5.068 3.300 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.427 3.586 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.037 3.561 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 403 2.772 5.829 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.011 7.009 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.004 5.551 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.696 5.530 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.815 7.104 -1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.561 5.647 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.150 5.694 -2.308 1.00 0.00 H new ATOM 350 N PHE A 404 4.559 0.922 -1.706 1.00 0.00 N ATOM 351 CA PHE A 404 4.360 -0.452 -1.252 1.00 0.00 C ATOM 352 C PHE A 404 4.574 -0.505 0.265 1.00 0.00 C ATOM 353 O PHE A 404 5.505 0.100 0.803 1.00 0.00 O ATOM 354 CB PHE A 404 5.301 -1.407 -1.994 1.00 0.00 C ATOM 355 CG PHE A 404 4.859 -1.704 -3.413 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.198 -0.827 -4.460 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.074 -2.844 -3.680 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.756 -1.094 -5.768 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.642 -3.112 -4.991 1.00 0.00 C ATOM 360 CZ PHE A 404 3.986 -2.238 -6.037 1.00 0.00 C ATOM 0 H PHE A 404 5.532 1.220 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 404 3.343 -0.775 -1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.302 -0.976 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.369 -2.343 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.796 0.049 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.804 -3.513 -2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.010 -0.416 -6.570 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.046 -3.989 -5.194 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.659 -2.445 -7.045 1.00 0.00 H new ATOM 370 N ILE A 405 3.667 -1.195 0.956 1.00 0.00 N ATOM 371 CA ILE A 405 3.559 -1.252 2.420 1.00 0.00 C ATOM 372 C ILE A 405 3.711 -2.713 2.843 1.00 0.00 C ATOM 373 O ILE A 405 3.069 -3.590 2.272 1.00 0.00 O ATOM 374 CB ILE A 405 2.196 -0.682 2.901 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.948 0.819 2.620 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.070 -0.852 4.427 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.808 1.264 1.163 1.00 0.00 C ATOM 0 H ILE A 405 2.953 -1.757 0.492 1.00 0.00 H new ATOM 0 HA ILE A 405 4.340 -0.642 2.875 1.00 0.00 H new ATOM 0 HB ILE A 405 1.465 -1.250 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.040 1.112 3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.769 1.382 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.113 -0.451 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.128 -1.910 4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.880 -0.315 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.638 2.340 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.721 1.022 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 405 0.965 0.748 0.704 1.00 0.00 H new ATOM 389 N TYR A 406 4.528 -2.979 3.856 1.00 0.00 N ATOM 390 CA TYR A 406 4.837 -4.326 4.354 1.00 0.00 C ATOM 391 C TYR A 406 4.662 -4.437 5.878 1.00 0.00 C ATOM 392 O TYR A 406 4.660 -3.433 6.596 1.00 0.00 O ATOM 393 CB TYR A 406 6.269 -4.712 3.944 1.00 0.00 C ATOM 394 CG TYR A 406 6.606 -4.515 2.475 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.371 -5.550 1.550 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.169 -3.299 2.038 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.691 -5.374 0.190 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.490 -3.113 0.680 1.00 0.00 C ATOM 399 CZ TYR A 406 7.257 -4.154 -0.248 1.00 0.00 C ATOM 400 OH TYR A 406 7.586 -3.980 -1.560 1.00 0.00 O ATOM 0 H TYR A 406 5.011 -2.245 4.373 1.00 0.00 H new ATOM 0 HA TYR A 406 4.128 -5.020 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 406 6.969 -4.127 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.431 -5.759 4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 406 5.943 -6.483 1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.355 -2.507 2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.505 -6.169 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 406 7.914 -2.177 0.348 1.00 0.00 H new ATOM 0 HH TYR A 406 7.962 -3.084 -1.687 1.00 0.00 H new ATOM 410 N HIS A 407 4.525 -5.674 6.366 1.00 0.00 N ATOM 411 CA HIS A 407 4.404 -6.036 7.786 1.00 0.00 C ATOM 412 C HIS A 407 3.104 -5.513 8.439 1.00 0.00 C ATOM 413 O HIS A 407 3.099 -5.080 9.592 1.00 0.00 O ATOM 414 CB HIS A 407 5.689 -5.655 8.545 1.00 0.00 C ATOM 415 CG HIS A 407 6.934 -6.247 7.943 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.268 -7.604 7.938 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.891 -5.551 7.268 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.422 -7.685 7.256 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.822 -6.470 6.840 1.00 0.00 N ATOM 0 H HIS A 407 4.494 -6.490 5.755 1.00 0.00 H new ATOM 0 HA HIS A 407 4.305 -7.120 7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.783 -4.569 8.563 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.602 -5.985 9.580 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.915 -4.484 7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 407 8.958 -8.604 7.067 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.665 -6.266 6.303 1.00 0.00 H new ATOM 427 N LEU A 408 1.992 -5.547 7.694 1.00 0.00 N ATOM 428 CA LEU A 408 0.648 -5.168 8.161 1.00 0.00 C ATOM 429 C LEU A 408 0.071 -6.209 9.146 1.00 0.00 C ATOM 430 O LEU A 408 0.546 -7.353 9.178 1.00 0.00 O ATOM 431 CB LEU A 408 -0.280 -5.014 6.933 1.00 0.00 C ATOM 432 CG LEU A 408 0.012 -3.783 6.052 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.664 -3.942 4.681 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.502 -2.496 6.716 1.00 0.00 C ATOM 0 H LEU A 408 2.001 -5.848 6.719 1.00 0.00 H new ATOM 0 HA LEU A 408 0.717 -4.223 8.699 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.198 -5.911 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.312 -4.959 7.280 1.00 0.00 H new ATOM 0 HG LEU A 408 1.092 -3.711 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.451 -3.067 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.279 -4.834 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.741 -4.038 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.283 -1.643 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.579 -2.570 6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -0.009 -2.361 7.679 1.00 0.00 H new ATOM 446 N PRO A 409 -0.952 -5.848 9.945 1.00 0.00 N ATOM 447 CA PRO A 409 -1.731 -6.804 10.731 1.00 0.00 C ATOM 448 C PRO A 409 -2.410 -7.849 9.833 1.00 0.00 C ATOM 449 O PRO A 409 -2.695 -7.584 8.665 1.00 0.00 O ATOM 450 CB PRO A 409 -2.772 -5.970 11.490 1.00 0.00 C ATOM 451 CG PRO A 409 -2.138 -4.583 11.552 1.00 0.00 C ATOM 452 CD PRO A 409 -1.405 -4.491 10.219 1.00 0.00 C ATOM 0 HA PRO A 409 -1.092 -7.366 11.413 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.729 -5.951 10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.959 -6.371 12.486 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.888 -3.799 11.657 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.456 -4.487 12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.064 -4.128 9.430 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.565 -3.798 10.277 1.00 0.00 H new ATOM 460 N GLN A 410 -2.700 -9.034 10.379 1.00 0.00 N ATOM 461 CA GLN A 410 -3.366 -10.115 9.635 1.00 0.00 C ATOM 462 C GLN A 410 -4.830 -9.779 9.284 1.00 0.00 C ATOM 463 O GLN A 410 -5.350 -10.256 8.274 1.00 0.00 O ATOM 464 CB GLN A 410 -3.260 -11.406 10.471 1.00 0.00 C ATOM 465 CG GLN A 410 -3.919 -12.653 9.853 1.00 0.00 C ATOM 466 CD GLN A 410 -3.308 -13.052 8.507 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.392 -13.861 8.420 1.00 0.00 O ATOM 468 NE2 GLN A 410 -3.783 -12.487 7.417 1.00 0.00 N ATOM 0 H GLN A 410 -2.482 -9.273 11.346 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.866 -10.249 8.676 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -2.205 -11.621 10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -3.711 -11.224 11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.827 -13.487 10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -4.984 -12.465 9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -4.546 -11.813 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -3.389 -12.724 6.507 1.00 0.00 H new ATOM 477 N GLU A 411 -5.485 -8.948 10.098 1.00 0.00 N ATOM 478 CA GLU A 411 -6.899 -8.566 9.954 1.00 0.00 C ATOM 479 C GLU A 411 -7.162 -7.413 8.965 1.00 0.00 C ATOM 480 O GLU A 411 -8.318 -7.143 8.625 1.00 0.00 O ATOM 481 CB GLU A 411 -7.465 -8.227 11.341 1.00 0.00 C ATOM 482 CG GLU A 411 -6.873 -6.963 11.984 1.00 0.00 C ATOM 483 CD GLU A 411 -7.440 -6.760 13.398 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.490 -6.091 13.546 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.837 -7.268 14.373 1.00 0.00 O ATOM 0 H GLU A 411 -5.036 -8.507 10.901 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.410 -9.425 9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.545 -8.104 11.258 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.291 -9.073 12.006 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.787 -7.046 12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.100 -6.094 11.367 1.00 0.00 H new ATOM 492 N PHE A 412 -6.111 -6.723 8.514 1.00 0.00 N ATOM 493 CA PHE A 412 -6.203 -5.557 7.626 1.00 0.00 C ATOM 494 C PHE A 412 -6.680 -5.930 6.213 1.00 0.00 C ATOM 495 O PHE A 412 -6.101 -6.801 5.561 1.00 0.00 O ATOM 496 CB PHE A 412 -4.849 -4.820 7.573 1.00 0.00 C ATOM 497 CG PHE A 412 -4.798 -3.541 8.388 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.166 -3.548 9.748 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.398 -2.334 7.782 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.141 -2.356 10.494 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.374 -1.143 8.528 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.748 -1.153 9.883 1.00 0.00 C ATOM 0 H PHE A 412 -5.151 -6.963 8.760 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.956 -4.889 8.043 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.069 -5.493 7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.618 -4.584 6.534 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.468 -4.472 10.219 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.109 -2.324 6.741 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.424 -2.365 11.536 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.068 -0.219 8.060 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.733 -0.237 10.454 1.00 0.00 H new ATOM 512 N GLY A 413 -7.712 -5.227 5.735 1.00 0.00 N ATOM 513 CA GLY A 413 -8.196 -5.247 4.350 1.00 0.00 C ATOM 514 C GLY A 413 -7.973 -3.912 3.636 1.00 0.00 C ATOM 515 O GLY A 413 -7.323 -3.003 4.156 1.00 0.00 O ATOM 0 H GLY A 413 -8.257 -4.601 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.687 -6.039 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.259 -5.487 4.343 1.00 0.00 H new ATOM 519 N ASP A 414 -8.537 -3.783 2.435 1.00 0.00 N ATOM 520 CA ASP A 414 -8.332 -2.621 1.553 1.00 0.00 C ATOM 521 C ASP A 414 -8.832 -1.301 2.164 1.00 0.00 C ATOM 522 O ASP A 414 -8.212 -0.255 1.977 1.00 0.00 O ATOM 523 CB ASP A 414 -9.047 -2.860 0.212 1.00 0.00 C ATOM 524 CG ASP A 414 -8.568 -4.099 -0.552 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.359 -4.413 -0.488 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.388 -4.735 -1.250 1.00 0.00 O ATOM 0 H ASP A 414 -9.158 -4.488 2.037 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.256 -2.521 1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.117 -2.954 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.909 -1.983 -0.420 1.00 0.00 H new ATOM 531 N GLN A 415 -9.934 -1.355 2.920 1.00 0.00 N ATOM 532 CA GLN A 415 -10.521 -0.198 3.604 1.00 0.00 C ATOM 533 C GLN A 415 -9.702 0.223 4.833 1.00 0.00 C ATOM 534 O GLN A 415 -9.676 1.406 5.173 1.00 0.00 O ATOM 535 CB GLN A 415 -11.964 -0.529 4.030 1.00 0.00 C ATOM 536 CG GLN A 415 -12.947 -0.733 2.860 1.00 0.00 C ATOM 537 CD GLN A 415 -13.302 0.545 2.089 1.00 0.00 C ATOM 538 OE1 GLN A 415 -12.870 1.650 2.392 1.00 0.00 O ATOM 539 NE2 GLN A 415 -14.111 0.443 1.056 1.00 0.00 N ATOM 0 H GLN A 415 -10.452 -2.220 3.076 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.517 0.638 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.951 -1.433 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.336 0.276 4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.517 -1.453 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -13.865 -1.174 3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.482 -0.468 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -14.367 1.275 0.525 1.00 0.00 H new ATOM 548 N ASP A 416 -9.012 -0.715 5.486 1.00 0.00 N ATOM 549 CA ASP A 416 -8.160 -0.441 6.649 1.00 0.00 C ATOM 550 C ASP A 416 -6.839 0.205 6.213 1.00 0.00 C ATOM 551 O ASP A 416 -6.409 1.192 6.810 1.00 0.00 O ATOM 552 CB ASP A 416 -7.886 -1.733 7.432 1.00 0.00 C ATOM 553 CG ASP A 416 -9.170 -2.440 7.883 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.816 -1.964 8.847 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.509 -3.483 7.277 1.00 0.00 O ATOM 0 H ASP A 416 -9.029 -1.699 5.220 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.687 0.256 7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.302 -2.412 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.279 -1.500 8.307 1.00 0.00 H new ATOM 560 N LEU A 417 -6.237 -0.294 5.123 1.00 0.00 N ATOM 561 CA LEU A 417 -5.073 0.324 4.495 1.00 0.00 C ATOM 562 C LEU A 417 -5.403 1.718 3.943 1.00 0.00 C ATOM 563 O LEU A 417 -4.594 2.632 4.093 1.00 0.00 O ATOM 564 CB LEU A 417 -4.536 -0.619 3.402 1.00 0.00 C ATOM 565 CG LEU A 417 -3.188 -0.166 2.804 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.070 -0.213 3.854 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.814 -1.060 1.616 1.00 0.00 C ATOM 0 H LEU A 417 -6.551 -1.144 4.654 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.295 0.473 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.421 -1.619 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.273 -0.692 2.602 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.300 0.864 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.133 0.112 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.322 0.448 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -1.961 -1.233 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.861 -0.733 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.728 -2.094 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.587 -0.990 0.851 1.00 0.00 H new ATOM 579 N LEU A 418 -6.599 1.916 3.375 1.00 0.00 N ATOM 580 CA LEU A 418 -7.050 3.239 2.937 1.00 0.00 C ATOM 581 C LEU A 418 -7.188 4.198 4.127 1.00 0.00 C ATOM 582 O LEU A 418 -6.638 5.294 4.083 1.00 0.00 O ATOM 583 CB LEU A 418 -8.357 3.108 2.127 1.00 0.00 C ATOM 584 CG LEU A 418 -8.892 4.453 1.594 1.00 0.00 C ATOM 585 CD1 LEU A 418 -7.913 5.129 0.624 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.249 4.263 0.908 1.00 0.00 C ATOM 0 H LEU A 418 -7.274 1.170 3.208 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.297 3.674 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.187 2.435 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.119 2.647 2.755 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.009 5.107 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.337 6.072 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -6.969 5.321 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.737 4.475 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.608 5.224 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.141 3.571 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -10.965 3.858 1.623 1.00 0.00 H new ATOM 598 N GLN A 419 -7.868 3.801 5.205 1.00 0.00 N ATOM 599 CA GLN A 419 -8.058 4.655 6.387 1.00 0.00 C ATOM 600 C GLN A 419 -6.769 4.909 7.181 1.00 0.00 C ATOM 601 O GLN A 419 -6.679 5.916 7.885 1.00 0.00 O ATOM 602 CB GLN A 419 -9.172 4.063 7.264 1.00 0.00 C ATOM 603 CG GLN A 419 -10.533 4.335 6.608 1.00 0.00 C ATOM 604 CD GLN A 419 -11.671 3.551 7.241 1.00 0.00 C ATOM 605 OE1 GLN A 419 -12.411 4.029 8.095 1.00 0.00 O ATOM 606 NE2 GLN A 419 -11.872 2.326 6.816 1.00 0.00 N ATOM 0 H GLN A 419 -8.303 2.882 5.286 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.359 5.642 6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.023 2.990 7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.140 4.505 8.260 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.754 5.400 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.474 4.086 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -11.259 1.925 6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.641 1.774 7.195 1.00 0.00 H new ATOM 615 N MET A 420 -5.744 4.068 7.018 1.00 0.00 N ATOM 616 CA MET A 420 -4.397 4.309 7.541 1.00 0.00 C ATOM 617 C MET A 420 -3.625 5.373 6.738 1.00 0.00 C ATOM 618 O MET A 420 -2.773 6.050 7.314 1.00 0.00 O ATOM 619 CB MET A 420 -3.661 2.959 7.604 1.00 0.00 C ATOM 620 CG MET A 420 -2.209 3.067 8.081 1.00 0.00 C ATOM 621 SD MET A 420 -1.343 1.481 8.159 1.00 0.00 S ATOM 622 CE MET A 420 -1.830 0.972 9.821 1.00 0.00 C ATOM 0 H MET A 420 -5.828 3.187 6.511 1.00 0.00 H new ATOM 0 HA MET A 420 -4.469 4.730 8.544 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.204 2.291 8.272 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.675 2.502 6.615 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.666 3.734 7.412 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.195 3.527 9.069 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.586 -0.080 9.965 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.296 1.573 10.557 1.00 0.00 H new ATOM 0 HE3 MET A 420 -2.903 1.116 9.946 1.00 0.00 H new ATOM 632 N PHE A 421 -3.930 5.563 5.445 1.00 0.00 N ATOM 633 CA PHE A 421 -3.171 6.427 4.526 1.00 0.00 C ATOM 634 C PHE A 421 -3.922 7.698 4.068 1.00 0.00 C ATOM 635 O PHE A 421 -3.280 8.686 3.711 1.00 0.00 O ATOM 636 CB PHE A 421 -2.641 5.575 3.355 1.00 0.00 C ATOM 637 CG PHE A 421 -1.372 4.791 3.681 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.409 3.694 4.561 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.132 5.179 3.133 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.224 3.038 4.941 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.056 4.526 3.512 1.00 0.00 C ATOM 642 CZ PHE A 421 1.012 3.471 4.437 1.00 0.00 C ATOM 0 H PHE A 421 -4.728 5.111 4.999 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.326 6.835 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.418 4.876 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.444 6.228 2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.357 3.352 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.093 5.985 2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.266 2.200 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.001 4.837 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.926 2.994 4.760 1.00 0.00 H new ATOM 652 N MET A 422 -5.255 7.754 4.174 1.00 0.00 N ATOM 653 CA MET A 422 -6.053 8.969 3.953 1.00 0.00 C ATOM 654 C MET A 422 -5.625 10.207 4.781 1.00 0.00 C ATOM 655 O MET A 422 -5.716 11.309 4.232 1.00 0.00 O ATOM 656 CB MET A 422 -7.540 8.656 4.191 1.00 0.00 C ATOM 657 CG MET A 422 -8.201 8.029 2.959 1.00 0.00 C ATOM 658 SD MET A 422 -10.018 7.959 2.974 1.00 0.00 S ATOM 659 CE MET A 422 -10.346 6.888 4.401 1.00 0.00 C ATOM 0 H MET A 422 -5.821 6.942 4.420 1.00 0.00 H new ATOM 0 HA MET A 422 -5.871 9.254 2.917 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.636 7.977 5.038 1.00 0.00 H new ATOM 0 HB3 MET A 422 -8.065 9.573 4.456 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.887 8.589 2.079 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.820 7.014 2.844 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.411 6.662 4.449 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.782 5.961 4.297 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.042 7.397 5.316 1.00 0.00 H new ATOM 669 N PRO A 423 -5.137 10.085 6.038 1.00 0.00 N ATOM 670 CA PRO A 423 -4.675 11.222 6.841 1.00 0.00 C ATOM 671 C PRO A 423 -3.526 12.051 6.242 1.00 0.00 C ATOM 672 O PRO A 423 -3.323 13.183 6.683 1.00 0.00 O ATOM 673 CB PRO A 423 -4.258 10.631 8.192 1.00 0.00 C ATOM 674 CG PRO A 423 -5.162 9.411 8.329 1.00 0.00 C ATOM 675 CD PRO A 423 -5.233 8.906 6.892 1.00 0.00 C ATOM 0 HA PRO A 423 -5.490 11.942 6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.204 10.355 8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.411 11.339 9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.741 8.665 9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.146 9.674 8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.421 8.209 6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.166 8.372 6.713 1.00 0.00 H new ATOM 683 N PHE A 424 -2.787 11.530 5.251 1.00 0.00 N ATOM 684 CA PHE A 424 -1.623 12.205 4.655 1.00 0.00 C ATOM 685 C PHE A 424 -1.928 12.910 3.322 1.00 0.00 C ATOM 686 O PHE A 424 -1.110 13.705 2.851 1.00 0.00 O ATOM 687 CB PHE A 424 -0.479 11.196 4.505 1.00 0.00 C ATOM 688 CG PHE A 424 -0.216 10.393 5.763 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.264 11.029 6.922 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.521 9.022 5.792 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.431 10.295 8.110 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.331 8.282 6.970 1.00 0.00 C ATOM 693 CZ PHE A 424 0.131 8.921 8.134 1.00 0.00 C ATOM 0 H PHE A 424 -2.982 10.619 4.836 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.328 13.005 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.712 10.512 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.430 11.728 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.504 12.082 6.900 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.903 8.536 4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.789 10.786 9.003 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.540 7.222 6.982 1.00 0.00 H new ATOM 0 HZ PHE A 424 0.256 8.357 9.047 1.00 0.00 H new ATOM 703 N GLY A 425 -3.108 12.664 2.739 1.00 0.00 N ATOM 704 CA GLY A 425 -3.627 13.380 1.564 1.00 0.00 C ATOM 705 C GLY A 425 -4.473 12.535 0.614 1.00 0.00 C ATOM 706 O GLY A 425 -5.023 11.499 0.988 1.00 0.00 O ATOM 0 H GLY A 425 -3.745 11.944 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -4.226 14.224 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.785 13.792 1.008 1.00 0.00 H new ATOM 710 N ASN A 426 -4.608 13.011 -0.627 1.00 0.00 N ATOM 711 CA ASN A 426 -5.517 12.449 -1.629 1.00 0.00 C ATOM 712 C ASN A 426 -4.999 11.111 -2.201 1.00 0.00 C ATOM 713 O ASN A 426 -4.192 11.091 -3.134 1.00 0.00 O ATOM 714 CB ASN A 426 -5.769 13.507 -2.720 1.00 0.00 C ATOM 715 CG ASN A 426 -6.795 13.071 -3.767 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.504 12.083 -3.617 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.911 13.807 -4.857 1.00 0.00 N ATOM 0 H ASN A 426 -4.079 13.813 -0.969 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.468 12.204 -1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.111 14.429 -2.249 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.827 13.735 -3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.591 13.553 -5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.321 14.630 -4.982 1.00 0.00 H new ATOM 724 N VAL A 427 -5.480 9.997 -1.640 1.00 0.00 N ATOM 725 CA VAL A 427 -5.210 8.627 -2.110 1.00 0.00 C ATOM 726 C VAL A 427 -6.065 8.328 -3.353 1.00 0.00 C ATOM 727 O VAL A 427 -7.284 8.489 -3.333 1.00 0.00 O ATOM 728 CB VAL A 427 -5.472 7.577 -0.999 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.232 6.147 -1.509 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.568 7.792 0.227 1.00 0.00 C ATOM 0 H VAL A 427 -6.087 10.020 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.155 8.559 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.515 7.707 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.425 5.437 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.902 5.941 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.198 6.048 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.787 7.033 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.523 7.714 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.752 8.781 0.646 1.00 0.00 H new ATOM 740 N VAL A 428 -5.408 7.877 -4.423 1.00 0.00 N ATOM 741 CA VAL A 428 -5.996 7.488 -5.719 1.00 0.00 C ATOM 742 C VAL A 428 -6.405 6.005 -5.725 1.00 0.00 C ATOM 743 O VAL A 428 -7.409 5.644 -6.335 1.00 0.00 O ATOM 744 CB VAL A 428 -4.990 7.777 -6.865 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.399 7.186 -8.228 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.786 9.294 -7.030 1.00 0.00 C ATOM 0 H VAL A 428 -4.394 7.765 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.897 8.081 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.065 7.285 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.643 7.433 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.485 6.103 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.359 7.604 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.078 9.480 -7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.740 9.766 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.396 9.712 -6.102 1.00 0.00 H new ATOM 756 N SER A 429 -5.653 5.145 -5.033 1.00 0.00 N ATOM 757 CA SER A 429 -5.868 3.693 -4.955 1.00 0.00 C ATOM 758 C SER A 429 -5.162 3.104 -3.730 1.00 0.00 C ATOM 759 O SER A 429 -4.100 3.593 -3.338 1.00 0.00 O ATOM 760 CB SER A 429 -5.353 3.006 -6.228 1.00 0.00 C ATOM 761 OG SER A 429 -6.326 3.069 -7.254 1.00 0.00 O ATOM 0 H SER A 429 -4.846 5.450 -4.490 1.00 0.00 H new ATOM 0 HA SER A 429 -6.939 3.516 -4.861 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.433 3.487 -6.561 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.109 1.966 -6.013 1.00 0.00 H new ATOM 0 HG SER A 429 -6.902 3.849 -7.111 1.00 0.00 H new ATOM 767 N ALA A 430 -5.744 2.054 -3.141 1.00 0.00 N ATOM 768 CA ALA A 430 -5.228 1.338 -1.974 1.00 0.00 C ATOM 769 C ALA A 430 -5.683 -0.129 -2.010 1.00 0.00 C ATOM 770 O ALA A 430 -6.855 -0.421 -2.259 1.00 0.00 O ATOM 771 CB ALA A 430 -5.707 2.041 -0.696 1.00 0.00 C ATOM 0 H ALA A 430 -6.624 1.665 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.138 1.347 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.325 1.511 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.340 3.067 -0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.797 2.045 -0.669 1.00 0.00 H new ATOM 777 N LYS A 431 -4.767 -1.063 -1.751 1.00 0.00 N ATOM 778 CA LYS A 431 -5.019 -2.501 -1.882 1.00 0.00 C ATOM 779 C LYS A 431 -4.109 -3.331 -0.954 1.00 0.00 C ATOM 780 O LYS A 431 -2.898 -3.125 -0.942 1.00 0.00 O ATOM 781 CB LYS A 431 -4.796 -2.888 -3.366 1.00 0.00 C ATOM 782 CG LYS A 431 -5.127 -4.353 -3.706 1.00 0.00 C ATOM 783 CD LYS A 431 -6.639 -4.601 -3.783 1.00 0.00 C ATOM 784 CE LYS A 431 -6.966 -6.085 -3.564 1.00 0.00 C ATOM 785 NZ LYS A 431 -8.427 -6.307 -3.404 1.00 0.00 N ATOM 0 H LYS A 431 -3.821 -0.842 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.044 -2.719 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.406 -2.237 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.755 -2.696 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.668 -4.616 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.691 -5.007 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.149 -3.998 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -7.014 -4.282 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -6.600 -6.667 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.444 -6.446 -2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -8.607 -7.315 -3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.778 -5.744 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.919 -6.017 -4.273 1.00 0.00 H new ATOM 799 N VAL A 432 -4.669 -4.291 -0.220 1.00 0.00 N ATOM 800 CA VAL A 432 -3.944 -5.328 0.534 1.00 0.00 C ATOM 801 C VAL A 432 -4.007 -6.614 -0.292 1.00 0.00 C ATOM 802 O VAL A 432 -5.079 -6.990 -0.768 1.00 0.00 O ATOM 803 CB VAL A 432 -4.550 -5.564 1.937 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.795 -6.672 2.692 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.496 -4.290 2.792 1.00 0.00 C ATOM 0 H VAL A 432 -5.681 -4.376 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.915 -5.006 0.695 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.587 -5.860 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.245 -6.814 3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.855 -7.603 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.750 -6.385 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.930 -4.491 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.459 -3.976 2.912 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.061 -3.498 2.300 1.00 0.00 H new ATOM 815 N PHE A 433 -2.864 -7.274 -0.490 1.00 0.00 N ATOM 816 CA PHE A 433 -2.777 -8.484 -1.308 1.00 0.00 C ATOM 817 C PHE A 433 -3.272 -9.716 -0.532 1.00 0.00 C ATOM 818 O PHE A 433 -2.992 -9.876 0.656 1.00 0.00 O ATOM 819 CB PHE A 433 -1.348 -8.628 -1.848 1.00 0.00 C ATOM 820 CG PHE A 433 -0.957 -7.487 -2.774 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.500 -7.411 -4.073 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.092 -6.470 -2.328 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.176 -6.333 -4.915 1.00 0.00 C ATOM 824 CE2 PHE A 433 0.245 -5.398 -3.174 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.301 -5.326 -4.467 1.00 0.00 C ATOM 0 H PHE A 433 -1.973 -6.984 -0.087 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.442 -8.402 -2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.650 -8.669 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.259 -9.573 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.168 -8.184 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.316 -6.513 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.599 -6.278 -5.907 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.923 -4.631 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.050 -4.500 -5.115 1.00 0.00 H new ATOM 963 N LYS A 442 -1.903 -11.200 2.989 1.00 0.00 N ATOM 964 CA LYS A 442 -0.484 -11.600 3.008 1.00 0.00 C ATOM 965 C LYS A 442 0.406 -10.714 3.915 1.00 0.00 C ATOM 966 O LYS A 442 1.629 -10.863 3.919 1.00 0.00 O ATOM 967 CB LYS A 442 0.035 -11.619 1.556 1.00 0.00 C ATOM 968 CG LYS A 442 -0.684 -12.638 0.656 1.00 0.00 C ATOM 969 CD LYS A 442 -0.054 -12.650 -0.744 1.00 0.00 C ATOM 970 CE LYS A 442 -0.750 -13.684 -1.637 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.147 -13.739 -2.995 1.00 0.00 N ATOM 0 HA LYS A 442 -0.423 -12.595 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.078 -10.624 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.102 -11.843 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.622 -13.632 1.099 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.742 -12.387 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.134 -11.660 -1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 442 1.008 -12.882 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.686 -14.667 -1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.809 -13.438 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.646 -14.450 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.230 -12.807 -3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.857 -13.998 -2.919 1.00 0.00 H new ATOM 985 N CYS A 443 -0.196 -9.757 4.637 1.00 0.00 N ATOM 986 CA CYS A 443 0.451 -8.729 5.473 1.00 0.00 C ATOM 987 C CYS A 443 1.295 -7.714 4.669 1.00 0.00 C ATOM 988 O CYS A 443 2.171 -7.058 5.235 1.00 0.00 O ATOM 989 CB CYS A 443 1.226 -9.373 6.639 1.00 0.00 C ATOM 990 SG CYS A 443 0.091 -10.318 7.700 1.00 0.00 S ATOM 0 H CYS A 443 -1.212 -9.673 4.655 1.00 0.00 H new ATOM 0 HA CYS A 443 -0.349 -8.128 5.906 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.004 -10.030 6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 443 1.725 -8.601 7.224 1.00 0.00 H new ATOM 0 HG CYS A 443 0.758 -10.857 8.677 1.00 0.00 H new ATOM 996 N PHE A 444 1.014 -7.539 3.374 1.00 0.00 N ATOM 997 CA PHE A 444 1.589 -6.480 2.542 1.00 0.00 C ATOM 998 C PHE A 444 0.567 -5.946 1.526 1.00 0.00 C ATOM 999 O PHE A 444 -0.414 -6.616 1.191 1.00 0.00 O ATOM 1000 CB PHE A 444 2.917 -6.935 1.906 1.00 0.00 C ATOM 1001 CG PHE A 444 2.814 -7.880 0.723 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.811 -9.273 0.921 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.781 -7.363 -0.587 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.761 -10.143 -0.183 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.718 -8.234 -1.690 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.704 -9.625 -1.489 1.00 0.00 C ATOM 0 H PHE A 444 0.367 -8.142 2.866 1.00 0.00 H new ATOM 0 HA PHE A 444 1.837 -5.632 3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.464 -6.048 1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.516 -7.419 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.847 -9.675 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 444 2.804 -6.295 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.766 -11.212 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.680 -7.833 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.650 -10.294 -2.335 1.00 0.00 H new ATOM 1016 N GLY A 445 0.784 -4.708 1.082 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.145 -3.908 0.286 1.00 0.00 C ATOM 1018 C GLY A 445 0.528 -2.811 -0.539 1.00 0.00 C ATOM 1019 O GLY A 445 1.753 -2.704 -0.603 1.00 0.00 O ATOM 0 H GLY A 445 1.654 -4.213 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.694 -4.568 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.877 -3.450 0.952 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.303 -1.993 -1.176 1.00 0.00 N ATOM 1024 CA PHE A 446 0.059 -0.950 -2.131 1.00 0.00 C ATOM 1025 C PHE A 446 -0.892 0.247 -1.981 1.00 0.00 C ATOM 1026 O PHE A 446 -2.088 0.054 -1.766 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.006 -1.559 -3.541 1.00 0.00 C ATOM 1028 CG PHE A 446 0.217 -0.583 -4.679 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.513 -0.107 -4.949 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.860 -0.165 -5.483 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.737 0.773 -6.021 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.636 0.709 -6.561 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.663 1.172 -6.835 1.00 0.00 C ATOM 0 H PHE A 446 -1.311 -2.043 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 446 1.068 -0.582 -1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.740 -2.351 -3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -0.981 -2.028 -3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.340 -0.420 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.859 -0.516 -5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.732 1.142 -6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.463 1.025 -7.180 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.835 1.834 -7.671 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.370 1.471 -2.089 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.124 2.733 -1.955 1.00 0.00 C ATOM 1045 C VAL A 447 -0.533 3.771 -2.907 1.00 0.00 C ATOM 1046 O VAL A 447 0.681 3.911 -2.974 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.089 3.294 -0.508 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.854 4.625 -0.384 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.689 2.319 0.520 1.00 0.00 C ATOM 0 H VAL A 447 0.621 1.623 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.165 2.523 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 447 -0.031 3.446 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.803 4.980 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.405 5.366 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.896 4.473 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.639 2.762 1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.729 2.116 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.125 1.386 0.510 1.00 0.00 H new ATOM 1059 N SER A 448 -1.366 4.522 -3.624 1.00 0.00 N ATOM 1060 CA SER A 448 -0.915 5.584 -4.540 1.00 0.00 C ATOM 1061 C SER A 448 -1.692 6.889 -4.347 1.00 0.00 C ATOM 1062 O SER A 448 -2.906 6.873 -4.144 1.00 0.00 O ATOM 1063 CB SER A 448 -1.064 5.134 -5.995 1.00 0.00 C ATOM 1064 OG SER A 448 -0.168 4.081 -6.299 1.00 0.00 O ATOM 0 H SER A 448 -2.380 4.416 -3.590 1.00 0.00 H new ATOM 0 HA SER A 448 0.133 5.771 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 448 -2.088 4.807 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.878 5.977 -6.660 1.00 0.00 H new ATOM 0 HG SER A 448 -0.670 3.247 -6.413 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.000 8.024 -4.449 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.540 9.376 -4.249 1.00 0.00 C ATOM 1072 C TYR A 449 -1.612 10.207 -5.542 1.00 0.00 C ATOM 1073 O TYR A 449 -1.027 9.868 -6.571 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.669 10.117 -3.220 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.784 9.618 -1.797 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.030 8.507 -1.374 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.644 10.274 -0.894 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.117 8.068 -0.042 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.742 9.834 0.437 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.970 8.732 0.863 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.059 8.290 2.141 1.00 0.00 O ATOM 0 H TYR A 449 -0.007 8.031 -4.683 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.564 9.259 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.373 10.043 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.933 11.174 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.614 7.993 -2.072 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.230 11.118 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.469 7.223 0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.403 10.335 1.129 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.930 8.540 2.514 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.292 11.351 -5.453 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.320 12.418 -6.462 1.00 0.00 C ATOM 1093 C ASP A 450 -0.932 13.041 -6.743 1.00 0.00 C ATOM 1094 O ASP A 450 -0.706 13.584 -7.825 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.303 13.479 -5.936 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.245 14.816 -6.690 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -3.889 14.936 -7.759 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -2.579 15.746 -6.176 1.00 0.00 O ATOM 0 H ASP A 450 -2.866 11.572 -4.639 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.634 12.004 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.316 13.083 -5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.096 13.660 -4.881 1.00 0.00 H new ATOM 1103 N ASN A 451 0.003 12.943 -5.790 1.00 0.00 N ATOM 1104 CA ASN A 451 1.308 13.615 -5.809 1.00 0.00 C ATOM 1105 C ASN A 451 2.312 12.958 -4.839 1.00 0.00 C ATOM 1106 O ASN A 451 1.896 12.287 -3.888 1.00 0.00 O ATOM 1107 CB ASN A 451 1.123 15.104 -5.451 1.00 0.00 C ATOM 1108 CG ASN A 451 0.569 15.301 -4.051 1.00 0.00 C ATOM 1109 OD1 ASN A 451 1.328 15.251 -3.099 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -0.722 15.503 -3.875 1.00 0.00 N ATOM 0 H ASN A 451 -0.133 12.373 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 451 1.720 13.521 -6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 451 2.082 15.616 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.450 15.567 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -1.096 15.620 -2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.346 15.543 -4.681 1.00 0.00 H new ATOM 1117 N PRO A 452 3.627 13.193 -5.019 1.00 0.00 N ATOM 1118 CA PRO A 452 4.649 12.675 -4.118 1.00 0.00 C ATOM 1119 C PRO A 452 4.703 13.378 -2.754 1.00 0.00 C ATOM 1120 O PRO A 452 5.348 12.841 -1.857 1.00 0.00 O ATOM 1121 CB PRO A 452 5.973 12.813 -4.871 1.00 0.00 C ATOM 1122 CG PRO A 452 5.739 13.987 -5.811 1.00 0.00 C ATOM 1123 CD PRO A 452 4.254 13.871 -6.152 1.00 0.00 C ATOM 0 HA PRO A 452 4.420 11.640 -3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.802 13.006 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.217 11.904 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.969 14.939 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.363 13.920 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.813 14.855 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 452 4.109 13.306 -7.073 1.00 0.00 H new ATOM 1131 N VAL A 453 4.039 14.529 -2.549 1.00 0.00 N ATOM 1132 CA VAL A 453 4.130 15.253 -1.261 1.00 0.00 C ATOM 1133 C VAL A 453 3.254 14.572 -0.198 1.00 0.00 C ATOM 1134 O VAL A 453 3.723 14.283 0.902 1.00 0.00 O ATOM 1135 CB VAL A 453 3.780 16.755 -1.396 1.00 0.00 C ATOM 1136 CG1 VAL A 453 3.998 17.499 -0.068 1.00 0.00 C ATOM 1137 CG2 VAL A 453 4.632 17.435 -2.485 1.00 0.00 C ATOM 0 H VAL A 453 3.441 14.976 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 453 5.170 15.207 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 453 2.728 16.806 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 453 3.744 18.551 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.362 17.062 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.043 17.411 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 453 4.361 18.489 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 453 5.688 17.348 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 453 4.451 16.950 -3.444 1.00 0.00 H new ATOM 1147 N SER A 454 2.012 14.229 -0.551 1.00 0.00 N ATOM 1148 CA SER A 454 1.094 13.440 0.282 1.00 0.00 C ATOM 1149 C SER A 454 1.611 12.011 0.509 1.00 0.00 C ATOM 1150 O SER A 454 1.378 11.416 1.562 1.00 0.00 O ATOM 1151 CB SER A 454 -0.281 13.366 -0.401 1.00 0.00 C ATOM 1152 OG SER A 454 -0.818 14.648 -0.711 1.00 0.00 O ATOM 0 H SER A 454 1.605 14.498 -1.447 1.00 0.00 H new ATOM 0 HA SER A 454 1.019 13.935 1.250 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.194 12.783 -1.318 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.976 12.835 0.250 1.00 0.00 H new ATOM 0 HG SER A 454 -1.690 14.541 -1.144 1.00 0.00 H new ATOM 1158 N ALA A 455 2.367 11.477 -0.458 1.00 0.00 N ATOM 1159 CA ALA A 455 2.968 10.152 -0.385 1.00 0.00 C ATOM 1160 C ALA A 455 4.167 10.118 0.574 1.00 0.00 C ATOM 1161 O ALA A 455 4.192 9.294 1.486 1.00 0.00 O ATOM 1162 CB ALA A 455 3.328 9.730 -1.811 1.00 0.00 C ATOM 0 H ALA A 455 2.578 11.968 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 455 2.261 9.436 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.782 8.739 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.426 9.705 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.033 10.445 -2.235 1.00 0.00 H new ATOM 1168 N GLN A 456 5.125 11.044 0.442 1.00 0.00 N ATOM 1169 CA GLN A 456 6.254 11.164 1.374 1.00 0.00 C ATOM 1170 C GLN A 456 5.781 11.432 2.807 1.00 0.00 C ATOM 1171 O GLN A 456 6.322 10.840 3.740 1.00 0.00 O ATOM 1172 CB GLN A 456 7.222 12.269 0.914 1.00 0.00 C ATOM 1173 CG GLN A 456 8.202 11.789 -0.172 1.00 0.00 C ATOM 1174 CD GLN A 456 9.267 10.806 0.335 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.402 10.513 1.520 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.067 10.245 -0.548 1.00 0.00 N ATOM 0 H GLN A 456 5.140 11.730 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 456 6.781 10.210 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.648 13.113 0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 456 7.787 12.631 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.636 11.313 -0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.700 12.656 -0.606 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.974 10.473 -1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.780 9.583 -0.242 1.00 0.00 H new ATOM 1185 N ALA A 457 4.728 12.236 2.992 1.00 0.00 N ATOM 1186 CA ALA A 457 4.115 12.457 4.302 1.00 0.00 C ATOM 1187 C ALA A 457 3.613 11.157 4.963 1.00 0.00 C ATOM 1188 O ALA A 457 3.632 11.063 6.191 1.00 0.00 O ATOM 1189 CB ALA A 457 2.988 13.480 4.139 1.00 0.00 C ATOM 0 H ALA A 457 4.278 12.751 2.235 1.00 0.00 H new ATOM 0 HA ALA A 457 4.876 12.842 4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.517 13.659 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.398 14.415 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.246 13.095 3.439 1.00 0.00 H new ATOM 1195 N ALA A 458 3.239 10.139 4.178 1.00 0.00 N ATOM 1196 CA ALA A 458 2.902 8.812 4.681 1.00 0.00 C ATOM 1197 C ALA A 458 4.155 7.973 4.967 1.00 0.00 C ATOM 1198 O ALA A 458 4.239 7.369 6.035 1.00 0.00 O ATOM 1199 CB ALA A 458 1.970 8.126 3.682 1.00 0.00 C ATOM 0 H ALA A 458 3.163 10.220 3.164 1.00 0.00 H new ATOM 0 HA ALA A 458 2.387 8.913 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.712 7.132 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.062 8.718 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.471 8.038 2.718 1.00 0.00 H new ATOM 1205 N ILE A 459 5.159 7.973 4.076 1.00 0.00 N ATOM 1206 CA ILE A 459 6.417 7.218 4.289 1.00 0.00 C ATOM 1207 C ILE A 459 7.103 7.671 5.582 1.00 0.00 C ATOM 1208 O ILE A 459 7.431 6.842 6.429 1.00 0.00 O ATOM 1209 CB ILE A 459 7.410 7.331 3.103 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.758 6.978 1.750 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.623 6.405 3.347 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.699 7.198 0.563 1.00 0.00 C ATOM 0 H ILE A 459 5.129 8.488 3.196 1.00 0.00 H new ATOM 0 HA ILE A 459 6.131 6.169 4.366 1.00 0.00 H new ATOM 0 HB ILE A 459 7.731 8.371 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.439 5.936 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 459 5.862 7.584 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.318 6.488 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.126 6.700 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.282 5.374 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.186 6.933 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 459 7.998 8.245 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.584 6.572 0.679 1.00 0.00 H new ATOM 1224 N GLN A 460 7.278 8.983 5.761 1.00 0.00 N ATOM 1225 CA GLN A 460 8.010 9.540 6.901 1.00 0.00 C ATOM 1226 C GLN A 460 7.211 9.483 8.219 1.00 0.00 C ATOM 1227 O GLN A 460 7.787 9.678 9.289 1.00 0.00 O ATOM 1228 CB GLN A 460 8.466 10.979 6.587 1.00 0.00 C ATOM 1229 CG GLN A 460 9.306 11.152 5.302 1.00 0.00 C ATOM 1230 CD GLN A 460 10.482 10.180 5.159 1.00 0.00 C ATOM 1231 OE1 GLN A 460 11.162 9.820 6.113 1.00 0.00 O ATOM 1232 NE2 GLN A 460 10.762 9.707 3.960 1.00 0.00 N ATOM 0 H GLN A 460 6.916 9.689 5.120 1.00 0.00 H new ATOM 0 HA GLN A 460 8.888 8.913 7.056 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.582 11.611 6.508 1.00 0.00 H new ATOM 0 HB3 GLN A 460 9.048 11.348 7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 460 8.650 11.034 4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.691 12.171 5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 460 10.206 9.996 3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 460 11.534 9.052 3.838 1.00 0.00 H new ATOM 1241 N SER A 461 5.911 9.179 8.170 1.00 0.00 N ATOM 1242 CA SER A 461 5.064 8.991 9.363 1.00 0.00 C ATOM 1243 C SER A 461 4.847 7.516 9.743 1.00 0.00 C ATOM 1244 O SER A 461 4.716 7.212 10.933 1.00 0.00 O ATOM 1245 CB SER A 461 3.690 9.645 9.152 1.00 0.00 C ATOM 1246 OG SER A 461 3.794 11.045 8.948 1.00 0.00 O ATOM 0 H SER A 461 5.406 9.054 7.293 1.00 0.00 H new ATOM 0 HA SER A 461 5.604 9.466 10.182 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.199 9.189 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 461 3.059 9.451 10.019 1.00 0.00 H new ATOM 0 HG SER A 461 3.755 11.240 7.988 1.00 0.00 H new ATOM 1252 N MET A 462 4.826 6.597 8.765 1.00 0.00 N ATOM 1253 CA MET A 462 4.397 5.201 8.963 1.00 0.00 C ATOM 1254 C MET A 462 5.503 4.156 8.826 1.00 0.00 C ATOM 1255 O MET A 462 5.341 3.039 9.316 1.00 0.00 O ATOM 1256 CB MET A 462 3.256 4.866 7.989 1.00 0.00 C ATOM 1257 CG MET A 462 2.047 5.800 8.142 1.00 0.00 C ATOM 1258 SD MET A 462 1.405 6.009 9.830 1.00 0.00 S ATOM 1259 CE MET A 462 0.714 4.368 10.114 1.00 0.00 C ATOM 0 H MET A 462 5.108 6.802 7.807 1.00 0.00 H new ATOM 0 HA MET A 462 4.067 5.146 10.000 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.628 4.926 6.966 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.937 3.837 8.152 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.321 6.782 7.755 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.241 5.423 7.513 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.039 4.421 10.900 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.255 4.003 9.195 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.508 3.686 10.418 1.00 0.00 H new ATOM 1269 N ASN A 463 6.640 4.478 8.205 1.00 0.00 N ATOM 1270 CA ASN A 463 7.761 3.547 8.109 1.00 0.00 C ATOM 1271 C ASN A 463 8.395 3.317 9.502 1.00 0.00 C ATOM 1272 O ASN A 463 8.991 4.227 10.083 1.00 0.00 O ATOM 1273 CB ASN A 463 8.757 4.077 7.070 1.00 0.00 C ATOM 1274 CG ASN A 463 9.857 3.068 6.781 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.580 1.960 6.337 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.109 3.401 7.027 1.00 0.00 N ATOM 0 H ASN A 463 6.807 5.381 7.760 1.00 0.00 H new ATOM 0 HA ASN A 463 7.419 2.569 7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.228 4.314 6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.200 5.005 7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.859 2.733 6.848 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.327 4.326 7.397 1.00 0.00 H new ATOM 1283 N GLY A 464 8.230 2.105 10.049 1.00 0.00 N ATOM 1284 CA GLY A 464 8.633 1.708 11.407 1.00 0.00 C ATOM 1285 C GLY A 464 7.544 1.859 12.478 1.00 0.00 C ATOM 1286 O GLY A 464 7.831 1.603 13.647 1.00 0.00 O ATOM 0 H GLY A 464 7.793 1.340 9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.957 0.667 11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.497 2.304 11.702 1.00 0.00 H new ATOM 1290 N PHE A 465 6.315 2.252 12.116 1.00 0.00 N ATOM 1291 CA PHE A 465 5.185 2.436 13.041 1.00 0.00 C ATOM 1292 C PHE A 465 4.782 1.116 13.716 1.00 0.00 C ATOM 1293 O PHE A 465 4.559 0.121 13.025 1.00 0.00 O ATOM 1294 CB PHE A 465 4.008 3.024 12.249 1.00 0.00 C ATOM 1295 CG PHE A 465 2.742 3.292 13.045 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.563 4.542 13.668 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.725 2.317 13.135 1.00 0.00 C ATOM 1298 CE1 PHE A 465 1.381 4.817 14.378 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.542 2.597 13.843 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.370 3.845 14.466 1.00 0.00 C ATOM 0 H PHE A 465 6.072 2.456 11.147 1.00 0.00 H new ATOM 0 HA PHE A 465 5.481 3.117 13.839 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.333 3.959 11.793 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.765 2.341 11.435 1.00 0.00 H new ATOM 0 HD1 PHE A 465 3.337 5.292 13.600 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.855 1.356 12.660 1.00 0.00 H new ATOM 0 HE1 PHE A 465 1.250 5.776 14.856 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.236 1.851 13.908 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.538 4.057 15.012 1.00 0.00 H new ATOM 1310 N GLN A 466 4.681 1.097 15.050 1.00 0.00 N ATOM 1311 CA GLN A 466 4.339 -0.108 15.813 1.00 0.00 C ATOM 1312 C GLN A 466 2.820 -0.305 15.892 1.00 0.00 C ATOM 1313 O GLN A 466 2.075 0.613 16.241 1.00 0.00 O ATOM 1314 CB GLN A 466 5.000 -0.063 17.203 1.00 0.00 C ATOM 1315 CG GLN A 466 4.963 -1.438 17.897 1.00 0.00 C ATOM 1316 CD GLN A 466 5.743 -1.479 19.214 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.892 -1.063 19.310 1.00 0.00 O ATOM 1318 NE2 GLN A 466 5.167 -2.003 20.279 1.00 0.00 N ATOM 0 H GLN A 466 4.835 1.920 15.632 1.00 0.00 H new ATOM 0 HA GLN A 466 4.734 -0.979 15.290 1.00 0.00 H new ATOM 0 HB2 GLN A 466 6.034 0.267 17.104 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.490 0.672 17.825 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.925 -1.711 18.090 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.370 -2.189 17.220 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.211 -2.355 20.221 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.677 -2.056 21.161 1.00 0.00 H new ATOM 1327 N ILE A 467 2.361 -1.518 15.573 1.00 0.00 N ATOM 1328 CA ILE A 467 0.944 -1.883 15.456 1.00 0.00 C ATOM 1329 C ILE A 467 0.746 -3.361 15.826 1.00 0.00 C ATOM 1330 O ILE A 467 1.500 -4.225 15.372 1.00 0.00 O ATOM 1331 CB ILE A 467 0.438 -1.513 14.040 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.102 -1.560 13.997 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.084 -2.357 12.923 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.710 -1.033 12.693 1.00 0.00 C ATOM 0 H ILE A 467 2.986 -2.301 15.382 1.00 0.00 H new ATOM 0 HA ILE A 467 0.337 -1.318 16.163 1.00 0.00 H new ATOM 0 HB ILE A 467 0.755 -0.490 13.837 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.427 -2.590 14.146 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.496 -0.977 14.830 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.686 -2.047 11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.164 -2.210 12.935 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.859 -3.411 13.087 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.797 -1.101 12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.418 0.007 12.550 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.349 -1.630 11.856 1.00 0.00 H new ATOM 1392 N ARG A 471 6.051 -4.035 13.586 1.00 0.00 N ATOM 1393 CA ARG A 471 6.308 -2.698 13.015 1.00 0.00 C ATOM 1394 C ARG A 471 6.200 -2.705 11.486 1.00 0.00 C ATOM 1395 O ARG A 471 6.750 -3.587 10.826 1.00 0.00 O ATOM 1396 CB ARG A 471 7.675 -2.142 13.462 1.00 0.00 C ATOM 1397 CG ARG A 471 7.629 -1.662 14.919 1.00 0.00 C ATOM 1398 CD ARG A 471 8.964 -1.105 15.416 1.00 0.00 C ATOM 1399 NE ARG A 471 8.809 -0.554 16.776 1.00 0.00 N ATOM 1400 CZ ARG A 471 8.828 0.723 17.147 1.00 0.00 C ATOM 1401 NH1 ARG A 471 8.974 1.713 16.293 1.00 0.00 N ATOM 1402 NH2 ARG A 471 8.666 1.018 18.416 1.00 0.00 N ATOM 0 HA ARG A 471 5.534 -2.035 13.402 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.437 -2.914 13.354 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.964 -1.315 12.813 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.863 -0.892 15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.329 -2.492 15.558 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.717 -1.893 15.418 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.317 -0.328 14.738 1.00 0.00 H new ATOM 0 HE ARG A 471 8.670 -1.235 17.522 1.00 0.00 H new ATOM 0 HH11 ARG A 471 9.079 1.517 15.298 1.00 0.00 H new ATOM 0 HH12 ARG A 471 8.982 2.677 16.626 1.00 0.00 H new ATOM 0 HH21 ARG A 471 8.528 0.273 19.099 1.00 0.00 H new ATOM 0 HH22 ARG A 471 8.678 1.992 18.719 1.00 0.00 H new ATOM 1416 N LEU A 472 5.494 -1.709 10.942 1.00 0.00 N ATOM 1417 CA LEU A 472 5.300 -1.493 9.503 1.00 0.00 C ATOM 1418 C LEU A 472 6.609 -1.126 8.790 1.00 0.00 C ATOM 1419 O LEU A 472 7.546 -0.609 9.397 1.00 0.00 O ATOM 1420 CB LEU A 472 4.293 -0.342 9.282 1.00 0.00 C ATOM 1421 CG LEU A 472 2.877 -0.516 9.859 1.00 0.00 C ATOM 1422 CD1 LEU A 472 2.007 0.669 9.422 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.227 -1.822 9.398 1.00 0.00 C ATOM 0 H LEU A 472 5.024 -1.005 11.511 1.00 0.00 H new ATOM 0 HA LEU A 472 4.927 -2.429 9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.721 0.565 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.201 -0.177 8.208 1.00 0.00 H new ATOM 0 HG LEU A 472 2.958 -0.552 10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 472 1.002 0.552 9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.442 1.597 9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.957 0.702 8.334 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.229 -1.904 9.829 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.154 -1.828 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 472 2.834 -2.666 9.726 1.00 0.00 H new ATOM 1435 N LYS A 473 6.630 -1.304 7.470 1.00 0.00 N ATOM 1436 CA LYS A 473 7.666 -0.790 6.563 1.00 0.00 C ATOM 1437 C LYS A 473 6.988 -0.210 5.308 1.00 0.00 C ATOM 1438 O LYS A 473 6.015 -0.784 4.824 1.00 0.00 O ATOM 1439 CB LYS A 473 8.665 -1.917 6.245 1.00 0.00 C ATOM 1440 CG LYS A 473 9.866 -1.444 5.405 1.00 0.00 C ATOM 1441 CD LYS A 473 10.791 -2.602 4.992 1.00 0.00 C ATOM 1442 CE LYS A 473 11.427 -3.368 6.166 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.398 -2.542 6.933 1.00 0.00 N ATOM 0 H LYS A 473 5.903 -1.827 6.982 1.00 0.00 H new ATOM 0 HA LYS A 473 8.234 0.017 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.029 -2.345 7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.147 -2.713 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.502 -0.937 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.438 -0.712 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.221 -3.305 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.587 -2.206 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 473 10.641 -3.714 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 473 11.933 -4.255 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 12.796 -3.106 7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 13.165 -2.233 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.913 -1.709 7.323 1.00 0.00 H new ATOM 1457 N VAL A 474 7.459 0.923 4.786 1.00 0.00 N ATOM 1458 CA VAL A 474 6.852 1.632 3.649 1.00 0.00 C ATOM 1459 C VAL A 474 7.963 2.144 2.728 1.00 0.00 C ATOM 1460 O VAL A 474 8.957 2.684 3.216 1.00 0.00 O ATOM 1461 CB VAL A 474 5.963 2.813 4.115 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.203 3.410 2.923 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.946 2.415 5.200 1.00 0.00 C ATOM 0 H VAL A 474 8.292 1.387 5.147 1.00 0.00 H new ATOM 0 HA VAL A 474 6.210 0.934 3.112 1.00 0.00 H new ATOM 0 HB VAL A 474 6.641 3.548 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.583 4.238 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.915 3.772 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.570 2.644 2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.355 3.287 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.286 1.639 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.476 2.037 6.074 1.00 0.00 H new ATOM 1473 N GLN A 475 7.808 1.980 1.411 1.00 0.00 N ATOM 1474 CA GLN A 475 8.823 2.353 0.419 1.00 0.00 C ATOM 1475 C GLN A 475 8.185 2.668 -0.946 1.00 0.00 C ATOM 1476 O GLN A 475 7.109 2.163 -1.272 1.00 0.00 O ATOM 1477 CB GLN A 475 9.862 1.211 0.337 1.00 0.00 C ATOM 1478 CG GLN A 475 11.080 1.466 -0.570 1.00 0.00 C ATOM 1479 CD GLN A 475 11.867 2.725 -0.194 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.471 3.844 -0.497 1.00 0.00 O ATOM 1481 NE2 GLN A 475 12.991 2.605 0.481 1.00 0.00 N ATOM 0 H GLN A 475 6.965 1.580 0.998 1.00 0.00 H new ATOM 0 HA GLN A 475 9.328 3.269 0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 475 10.222 1.002 1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 475 9.356 0.311 -0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.745 0.604 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 475 10.742 1.553 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.334 1.680 0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.519 3.437 0.744 1.00 0.00 H new ATOM 1490 N LEU A 476 8.851 3.505 -1.748 1.00 0.00 N ATOM 1491 CA LEU A 476 8.465 3.819 -3.129 1.00 0.00 C ATOM 1492 C LEU A 476 8.477 2.591 -4.056 1.00 0.00 C ATOM 1493 O LEU A 476 9.241 1.642 -3.872 1.00 0.00 O ATOM 1494 CB LEU A 476 9.421 4.885 -3.705 1.00 0.00 C ATOM 1495 CG LEU A 476 9.379 6.273 -3.040 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.382 7.188 -3.753 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.985 6.903 -3.121 1.00 0.00 C ATOM 0 H LEU A 476 9.694 3.995 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 476 7.440 4.189 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.440 4.504 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.198 5.007 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 476 9.633 6.155 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.364 8.176 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.384 6.766 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.112 7.273 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.999 7.881 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.697 7.017 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.265 6.260 -2.614 1.00 0.00 H new ATOM 1509 N LYS A 477 7.678 2.661 -5.124 1.00 0.00 N ATOM 1510 CA LYS A 477 7.700 1.703 -6.237 1.00 0.00 C ATOM 1511 C LYS A 477 9.075 1.700 -6.942 1.00 0.00 C ATOM 1512 O LYS A 477 9.512 2.731 -7.463 1.00 0.00 O ATOM 1513 CB LYS A 477 6.537 2.050 -7.188 1.00 0.00 C ATOM 1514 CG LYS A 477 6.491 1.139 -8.427 1.00 0.00 C ATOM 1515 CD LYS A 477 5.172 1.307 -9.193 1.00 0.00 C ATOM 1516 CE LYS A 477 5.187 0.421 -10.445 1.00 0.00 C ATOM 1517 NZ LYS A 477 3.897 0.488 -11.176 1.00 0.00 N ATOM 0 H LYS A 477 6.984 3.399 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 477 7.560 0.686 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.594 1.969 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.632 3.088 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.328 1.373 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.607 0.099 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.332 1.036 -8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.034 2.351 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.996 0.735 -11.104 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.391 -0.611 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.005 0.048 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.166 -0.019 -10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 3.615 1.482 -11.292 1.00 0.00 H new