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= 0.619 K(o=1.4,f=-0.56) USER MOD Set 1.2: A 460 GLN : amide:sc= 0.784 K(o=1.4,f=-0.2) USER MOD Set 2.1: A 451 ASN : amide:sc= 0.316 X(o=0.97,f=0.5) USER MOD Set 2.2: A 454 SER OG : rot 25:sc= 0.654 USER MOD Single : A 393 SER OG : rot 180:sc= -0.0028 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 402 ASN : amide:sc= 0.88 K(o=0.88,f=-6.8!) 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 X(o=0,f=-0.0041) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 420 MET CE :methyl 171:sc= 0 (180deg=-0.148) USER MOD Single : A 422 MET CE :methyl -178:sc= -0.12 (180deg=-0.127) USER MOD Single : A 426 ASN : amide:sc=-0.00233 K(o=-0.0023,f=-0.85) USER MOD Single : A 429 SER OG : rot -89:sc=-0.00892 USER MOD Single : A 431 LYS NZ :NH3+ -175:sc= 0.996 (180deg=0.846) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -78:sc= 0.0837 USER MOD Single : A 448 SER OG : rot -149:sc= 0.383 USER MOD Single : A 449 TYR OH : rot -155:sc= 0.984 USER MOD Single : A 461 SER OG : rot 95:sc= 1.1 USER MOD Single : A 462 MET CE :methyl -159:sc= 0 (180deg=-0.342) USER MOD Single : A 463 ASN : amide:sc= 0.8 K(o=0.8,f=-6.7!) USER MOD Single : A 466 GLN : amide:sc= 0.711 K(o=0.71,f=-4.8!) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 477 LYS NZ :NH3+ 168:sc= 1.12 (180deg=0.883) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.030 2.087 -2.412 1.00 0.00 N ATOM 183 CA ALA A 391 -9.937 0.754 -1.811 1.00 0.00 C ATOM 184 C ALA A 391 -10.433 -0.319 -2.794 1.00 0.00 C ATOM 185 O ALA A 391 -11.576 -0.272 -3.258 1.00 0.00 O ATOM 186 CB ALA A 391 -10.750 0.738 -0.509 1.00 0.00 C ATOM 0 HA ALA A 391 -8.896 0.525 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.688 -0.250 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.349 1.481 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.792 0.971 -0.728 1.00 0.00 H new ATOM 192 N GLY A 392 -9.561 -1.279 -3.114 1.00 0.00 N ATOM 193 CA GLY A 392 -9.835 -2.365 -4.064 1.00 0.00 C ATOM 194 C GLY A 392 -9.492 -2.006 -5.510 1.00 0.00 C ATOM 195 O GLY A 392 -9.618 -2.851 -6.394 1.00 0.00 O ATOM 0 H GLY A 392 -8.625 -1.325 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.265 -3.247 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.890 -2.633 -4.004 1.00 0.00 H new ATOM 199 N SER A 393 -9.042 -0.775 -5.760 1.00 0.00 N ATOM 200 CA SER A 393 -8.518 -0.346 -7.060 1.00 0.00 C ATOM 201 C SER A 393 -7.020 -0.685 -7.203 1.00 0.00 C ATOM 202 O SER A 393 -6.368 -1.149 -6.261 1.00 0.00 O ATOM 203 CB SER A 393 -8.803 1.151 -7.254 1.00 0.00 C ATOM 204 OG SER A 393 -8.582 1.538 -8.605 1.00 0.00 O ATOM 0 H SER A 393 -9.031 -0.037 -5.056 1.00 0.00 H new ATOM 0 HA SER A 393 -9.026 -0.895 -7.853 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.833 1.369 -6.973 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.162 1.736 -6.594 1.00 0.00 H new ATOM 0 HG SER A 393 -8.771 2.494 -8.706 1.00 0.00 H new ATOM 210 N GLN A 394 -6.465 -0.456 -8.395 1.00 0.00 N ATOM 211 CA GLN A 394 -5.049 -0.659 -8.727 1.00 0.00 C ATOM 212 C GLN A 394 -4.526 0.483 -9.625 1.00 0.00 C ATOM 213 O GLN A 394 -3.608 0.300 -10.429 1.00 0.00 O ATOM 214 CB GLN A 394 -4.838 -2.063 -9.335 1.00 0.00 C ATOM 215 CG GLN A 394 -5.132 -3.209 -8.347 1.00 0.00 C ATOM 216 CD GLN A 394 -4.759 -4.579 -8.921 1.00 0.00 C ATOM 217 OE1 GLN A 394 -5.238 -5.001 -9.967 1.00 0.00 O ATOM 218 NE2 GLN A 394 -3.896 -5.332 -8.267 1.00 0.00 N ATOM 0 H GLN A 394 -7.008 -0.111 -9.187 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.454 -0.621 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.481 -2.173 -10.209 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.809 -2.149 -9.684 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.578 -3.041 -7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.191 -3.201 -8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -3.486 -4.998 -7.395 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -3.638 -6.248 -8.634 1.00 0.00 H new ATOM 227 N LYS A 395 -5.112 1.681 -9.498 1.00 0.00 N ATOM 228 CA LYS A 395 -4.603 2.914 -10.115 1.00 0.00 C ATOM 229 C LYS A 395 -3.257 3.365 -9.518 1.00 0.00 C ATOM 230 O LYS A 395 -2.887 2.988 -8.404 1.00 0.00 O ATOM 231 CB LYS A 395 -5.639 4.040 -9.939 1.00 0.00 C ATOM 232 CG LYS A 395 -6.743 4.024 -11.004 1.00 0.00 C ATOM 233 CD LYS A 395 -7.576 5.316 -10.970 1.00 0.00 C ATOM 234 CE LYS A 395 -6.730 6.547 -11.347 1.00 0.00 C ATOM 235 NZ LYS A 395 -7.551 7.784 -11.410 1.00 0.00 N ATOM 0 H LYS A 395 -5.965 1.823 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.437 2.702 -11.171 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.095 3.953 -8.953 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.128 5.002 -9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.296 3.903 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.394 3.165 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.416 5.226 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -7.995 5.453 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -5.932 6.677 -10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.253 6.378 -12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -6.946 8.590 -11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -8.297 7.670 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -7.986 7.960 -10.482 1.00 0.00 H new ATOM 249 N GLU A 396 -2.559 4.267 -10.213 1.00 0.00 N ATOM 250 CA GLU A 396 -1.353 4.911 -9.693 1.00 0.00 C ATOM 251 C GLU A 396 -1.126 6.323 -10.252 1.00 0.00 C ATOM 252 O GLU A 396 -1.620 6.673 -11.327 1.00 0.00 O ATOM 253 CB GLU A 396 -0.132 3.986 -9.866 1.00 0.00 C ATOM 254 CG GLU A 396 0.261 3.728 -11.323 1.00 0.00 C ATOM 255 CD GLU A 396 1.435 2.746 -11.402 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.203 1.514 -11.396 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.606 3.186 -11.473 1.00 0.00 O ATOM 0 H GLU A 396 -2.815 4.571 -11.152 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.501 5.066 -8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.719 4.425 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.343 3.031 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.593 3.327 -11.869 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.534 4.668 -11.803 1.00 0.00 H new ATOM 264 N GLY A 397 -0.405 7.137 -9.475 1.00 0.00 N ATOM 265 CA GLY A 397 -0.137 8.557 -9.725 1.00 0.00 C ATOM 266 C GLY A 397 1.268 8.825 -10.290 1.00 0.00 C ATOM 267 O GLY A 397 1.889 7.905 -10.839 1.00 0.00 O ATOM 0 H GLY A 397 0.029 6.808 -8.613 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -0.880 8.942 -10.423 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.258 9.111 -8.794 1.00 0.00 H new ATOM 271 N PRO A 398 1.772 10.072 -10.183 1.00 0.00 N ATOM 272 CA PRO A 398 3.044 10.492 -10.773 1.00 0.00 C ATOM 273 C PRO A 398 4.259 9.882 -10.053 1.00 0.00 C ATOM 274 O PRO A 398 4.134 9.251 -9.003 1.00 0.00 O ATOM 275 CB PRO A 398 3.029 12.025 -10.707 1.00 0.00 C ATOM 276 CG PRO A 398 2.162 12.323 -9.488 1.00 0.00 C ATOM 277 CD PRO A 398 1.123 11.203 -9.526 1.00 0.00 C ATOM 0 HA PRO A 398 3.144 10.138 -11.799 1.00 0.00 H new ATOM 0 HB2 PRO A 398 4.034 12.431 -10.593 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.610 12.461 -11.614 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.742 12.305 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.698 13.307 -9.553 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.800 10.936 -8.520 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.234 11.514 -10.074 1.00 0.00 H new ATOM 285 N GLU A 399 5.451 10.074 -10.628 1.00 0.00 N ATOM 286 CA GLU A 399 6.716 9.561 -10.089 1.00 0.00 C ATOM 287 C GLU A 399 6.973 10.088 -8.664 1.00 0.00 C ATOM 288 O GLU A 399 7.009 11.299 -8.428 1.00 0.00 O ATOM 289 CB GLU A 399 7.865 9.921 -11.046 1.00 0.00 C ATOM 290 CG GLU A 399 9.194 9.274 -10.640 1.00 0.00 C ATOM 291 CD GLU A 399 10.294 9.588 -11.666 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.989 10.622 -11.519 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.478 8.800 -12.624 1.00 0.00 O ATOM 0 H GLU A 399 5.566 10.599 -11.495 1.00 0.00 H new ATOM 0 HA GLU A 399 6.655 8.475 -10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.605 9.605 -12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.985 11.004 -11.072 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.494 9.637 -9.657 1.00 0.00 H new ATOM 0 HG3 GLU A 399 9.067 8.195 -10.556 1.00 0.00 H new ATOM 300 N GLY A 400 7.136 9.164 -7.708 1.00 0.00 N ATOM 301 CA GLY A 400 7.315 9.457 -6.278 1.00 0.00 C ATOM 302 C GLY A 400 6.016 9.468 -5.461 1.00 0.00 C ATOM 303 O GLY A 400 6.081 9.603 -4.241 1.00 0.00 O ATOM 0 H GLY A 400 7.147 8.165 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.991 8.717 -5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.800 10.428 -6.177 1.00 0.00 H new ATOM 307 N ALA A 401 4.847 9.307 -6.095 1.00 0.00 N ATOM 308 CA ALA A 401 3.537 9.273 -5.428 1.00 0.00 C ATOM 309 C ALA A 401 3.018 7.853 -5.114 1.00 0.00 C ATOM 310 O ALA A 401 1.913 7.704 -4.591 1.00 0.00 O ATOM 311 CB ALA A 401 2.541 10.066 -6.281 1.00 0.00 C ATOM 0 H ALA A 401 4.783 9.194 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 401 3.653 9.734 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.561 10.053 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.884 11.096 -6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.468 9.614 -7.270 1.00 0.00 H new ATOM 317 N ASN A 402 3.793 6.811 -5.435 1.00 0.00 N ATOM 318 CA ASN A 402 3.368 5.406 -5.401 1.00 0.00 C ATOM 319 C ASN A 402 4.184 4.604 -4.374 1.00 0.00 C ATOM 320 O ASN A 402 5.418 4.601 -4.418 1.00 0.00 O ATOM 321 CB ASN A 402 3.487 4.830 -6.822 1.00 0.00 C ATOM 322 CG ASN A 402 2.717 5.672 -7.838 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.579 6.066 -7.612 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.319 6.001 -8.964 1.00 0.00 N ATOM 0 H ASN A 402 4.761 6.925 -5.734 1.00 0.00 H new ATOM 0 HA ASN A 402 2.329 5.336 -5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.537 4.783 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 402 3.108 3.808 -6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.837 6.584 -9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.266 5.672 -9.151 1.00 0.00 H new ATOM 331 N LEU A 403 3.489 3.940 -3.445 1.00 0.00 N ATOM 332 CA LEU A 403 4.030 3.300 -2.242 1.00 0.00 C ATOM 333 C LEU A 403 3.664 1.814 -2.156 1.00 0.00 C ATOM 334 O LEU A 403 2.513 1.437 -2.392 1.00 0.00 O ATOM 335 CB LEU A 403 3.449 3.968 -0.973 1.00 0.00 C ATOM 336 CG LEU A 403 3.436 5.503 -0.890 1.00 0.00 C ATOM 337 CD1 LEU A 403 2.938 5.921 0.499 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.822 6.093 -1.143 1.00 0.00 C ATOM 0 H LEU A 403 2.478 3.829 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 403 5.113 3.411 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.422 3.622 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.010 3.595 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 403 2.770 5.886 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 403 2.925 7.009 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 403 1.931 5.535 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.604 5.517 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.773 7.180 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.520 5.715 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.164 5.806 -2.137 1.00 0.00 H new ATOM 350 N PHE A 404 4.619 1.002 -1.710 1.00 0.00 N ATOM 351 CA PHE A 404 4.430 -0.390 -1.308 1.00 0.00 C ATOM 352 C PHE A 404 4.617 -0.488 0.210 1.00 0.00 C ATOM 353 O PHE A 404 5.549 0.086 0.780 1.00 0.00 O ATOM 354 CB PHE A 404 5.389 -1.307 -2.073 1.00 0.00 C ATOM 355 CG PHE A 404 4.966 -1.553 -3.508 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.299 -0.631 -4.517 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.207 -2.697 -3.829 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.882 -0.856 -5.841 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.796 -2.923 -5.156 1.00 0.00 C ATOM 360 CZ PHE A 404 4.136 -2.003 -6.163 1.00 0.00 C ATOM 0 H PHE A 404 5.587 1.309 -1.615 1.00 0.00 H new ATOM 0 HA PHE A 404 3.422 -0.723 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.386 -0.866 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.459 -2.263 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.875 0.250 -4.275 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.940 -3.401 -3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.136 -0.145 -6.613 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.220 -3.803 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.825 -2.177 -7.182 1.00 0.00 H new ATOM 370 N ILE A 405 3.691 -1.186 0.865 1.00 0.00 N ATOM 371 CA ILE A 405 3.521 -1.239 2.324 1.00 0.00 C ATOM 372 C ILE A 405 3.755 -2.678 2.794 1.00 0.00 C ATOM 373 O ILE A 405 3.288 -3.609 2.143 1.00 0.00 O ATOM 374 CB ILE A 405 2.086 -0.787 2.709 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.510 0.419 1.923 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.007 -0.530 4.225 1.00 0.00 C ATOM 377 CD1 ILE A 405 2.347 1.695 1.895 1.00 0.00 C ATOM 0 H ILE A 405 3.004 -1.758 0.374 1.00 0.00 H new ATOM 0 HA ILE A 405 4.237 -0.570 2.802 1.00 0.00 H new ATOM 0 HB ILE A 405 1.447 -1.620 2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.342 0.102 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 405 0.535 0.663 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 405 0.998 -0.213 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.252 -1.446 4.763 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.716 0.252 4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.829 2.457 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.496 2.055 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.315 1.485 1.439 1.00 0.00 H new ATOM 389 N TYR A 406 4.441 -2.876 3.917 1.00 0.00 N ATOM 390 CA TYR A 406 4.853 -4.198 4.416 1.00 0.00 C ATOM 391 C TYR A 406 4.727 -4.334 5.949 1.00 0.00 C ATOM 392 O TYR A 406 4.655 -3.346 6.681 1.00 0.00 O ATOM 393 CB TYR A 406 6.296 -4.488 3.972 1.00 0.00 C ATOM 394 CG TYR A 406 6.588 -4.371 2.486 1.00 0.00 C ATOM 395 CD1 TYR A 406 7.005 -3.139 1.941 1.00 0.00 C ATOM 396 CD2 TYR A 406 6.487 -5.505 1.656 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.319 -3.037 0.572 1.00 0.00 C ATOM 398 CE2 TYR A 406 6.799 -5.410 0.287 1.00 0.00 C ATOM 399 CZ TYR A 406 7.223 -4.177 -0.258 1.00 0.00 C ATOM 400 OH TYR A 406 7.543 -4.099 -1.581 1.00 0.00 O ATOM 0 H TYR A 406 4.735 -2.110 4.523 1.00 0.00 H new ATOM 0 HA TYR A 406 4.172 -4.932 3.985 1.00 0.00 H new ATOM 0 HB2 TYR A 406 6.959 -3.806 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.554 -5.498 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 406 7.084 -2.269 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 406 6.169 -6.450 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 406 7.632 -2.090 0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 406 6.714 -6.280 -0.347 1.00 0.00 H new ATOM 0 HH TYR A 406 7.420 -4.977 -2.000 1.00 0.00 H new ATOM 410 N HIS A 407 4.696 -5.586 6.422 1.00 0.00 N ATOM 411 CA HIS A 407 4.497 -6.021 7.816 1.00 0.00 C ATOM 412 C HIS A 407 3.086 -5.711 8.379 1.00 0.00 C ATOM 413 O HIS A 407 2.912 -5.566 9.590 1.00 0.00 O ATOM 414 CB HIS A 407 5.653 -5.549 8.715 1.00 0.00 C ATOM 415 CG HIS A 407 6.991 -6.098 8.306 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.339 -7.449 8.273 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.070 -5.350 7.946 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.627 -7.478 7.892 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.095 -6.233 7.692 1.00 0.00 N ATOM 0 H HIS A 407 4.818 -6.383 5.797 1.00 0.00 H new ATOM 0 HA HIS A 407 4.529 -7.111 7.814 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.695 -4.460 8.698 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.447 -5.844 9.744 1.00 0.00 H new ATOM 0 HD2 HIS A 407 8.113 -4.273 7.874 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.208 -8.379 7.764 1.00 0.00 H new ATOM 0 HE2 HIS A 407 10.042 -5.987 7.403 1.00 0.00 H new ATOM 427 N LEU A 408 2.068 -5.624 7.514 1.00 0.00 N ATOM 428 CA LEU A 408 0.675 -5.311 7.888 1.00 0.00 C ATOM 429 C LEU A 408 0.036 -6.426 8.752 1.00 0.00 C ATOM 430 O LEU A 408 0.480 -7.577 8.676 1.00 0.00 O ATOM 431 CB LEU A 408 -0.158 -5.054 6.611 1.00 0.00 C ATOM 432 CG LEU A 408 0.161 -3.730 5.883 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.461 -3.754 4.480 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.389 -2.519 6.654 1.00 0.00 C ATOM 0 H LEU A 408 2.188 -5.772 6.512 1.00 0.00 H new ATOM 0 HA LEU A 408 0.684 -4.410 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 408 0.001 -5.880 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.215 -5.060 6.877 1.00 0.00 H new ATOM 0 HG LEU A 408 1.245 -3.635 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.236 -2.819 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.048 -4.588 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.541 -3.871 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.147 -1.604 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.471 -2.609 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.061 -2.485 7.646 1.00 0.00 H new ATOM 446 N PRO A 409 -0.995 -6.123 9.569 1.00 0.00 N ATOM 447 CA PRO A 409 -1.778 -7.134 10.285 1.00 0.00 C ATOM 448 C PRO A 409 -2.460 -8.117 9.325 1.00 0.00 C ATOM 449 O PRO A 409 -2.855 -7.733 8.225 1.00 0.00 O ATOM 450 CB PRO A 409 -2.821 -6.358 11.100 1.00 0.00 C ATOM 451 CG PRO A 409 -2.200 -4.971 11.250 1.00 0.00 C ATOM 452 CD PRO A 409 -1.463 -4.790 9.927 1.00 0.00 C ATOM 0 HA PRO A 409 -1.134 -7.740 10.922 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.781 -6.314 10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.000 -6.824 12.069 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.958 -4.202 11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.522 -4.921 12.102 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.123 -4.385 9.160 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.630 -4.094 10.031 1.00 0.00 H new ATOM 460 N GLN A 410 -2.646 -9.374 9.747 1.00 0.00 N ATOM 461 CA GLN A 410 -3.287 -10.410 8.919 1.00 0.00 C ATOM 462 C GLN A 410 -4.780 -10.143 8.638 1.00 0.00 C ATOM 463 O GLN A 410 -5.342 -10.692 7.693 1.00 0.00 O ATOM 464 CB GLN A 410 -3.073 -11.802 9.542 1.00 0.00 C ATOM 465 CG GLN A 410 -3.820 -12.035 10.870 1.00 0.00 C ATOM 466 CD GLN A 410 -3.604 -13.451 11.417 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.489 -13.948 11.528 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.654 -14.159 11.785 1.00 0.00 N ATOM 0 H GLN A 410 -2.358 -9.703 10.669 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.798 -10.376 7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.390 -12.559 8.825 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -2.006 -11.950 9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.482 -11.307 11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -4.886 -11.864 10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.591 -13.764 11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -4.530 -15.102 12.154 1.00 0.00 H new ATOM 477 N GLU A 411 -5.422 -9.290 9.441 1.00 0.00 N ATOM 478 CA GLU A 411 -6.857 -8.981 9.369 1.00 0.00 C ATOM 479 C GLU A 411 -7.208 -7.772 8.480 1.00 0.00 C ATOM 480 O GLU A 411 -8.384 -7.526 8.203 1.00 0.00 O ATOM 481 CB GLU A 411 -7.392 -8.778 10.794 1.00 0.00 C ATOM 482 CG GLU A 411 -6.837 -7.542 11.519 1.00 0.00 C ATOM 483 CD GLU A 411 -7.385 -7.465 12.953 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.459 -6.854 13.165 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.743 -8.016 13.878 1.00 0.00 O ATOM 0 H GLU A 411 -4.945 -8.778 10.183 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.339 -9.832 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.478 -8.700 10.752 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.159 -9.664 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.748 -7.585 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.109 -6.640 10.971 1.00 0.00 H new ATOM 492 N PHE A 412 -6.199 -7.012 8.041 1.00 0.00 N ATOM 493 CA PHE A 412 -6.369 -5.799 7.235 1.00 0.00 C ATOM 494 C PHE A 412 -6.921 -6.098 5.831 1.00 0.00 C ATOM 495 O PHE A 412 -6.439 -6.992 5.133 1.00 0.00 O ATOM 496 CB PHE A 412 -5.035 -5.027 7.150 1.00 0.00 C ATOM 497 CG PHE A 412 -4.942 -3.817 8.064 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.275 -3.928 9.428 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.536 -2.570 7.547 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.220 -2.799 10.265 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.478 -1.442 8.386 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.823 -1.556 9.744 1.00 0.00 C ATOM 0 H PHE A 412 -5.222 -7.227 8.240 1.00 0.00 H new ATOM 0 HA PHE A 412 -7.111 -5.176 7.735 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.220 -5.710 7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.885 -4.700 6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.574 -4.884 9.833 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.269 -2.480 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.483 -2.888 11.309 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.168 -0.488 7.986 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.783 -0.689 10.386 1.00 0.00 H new ATOM 512 N GLY A 413 -7.913 -5.308 5.410 1.00 0.00 N ATOM 513 CA GLY A 413 -8.434 -5.256 4.042 1.00 0.00 C ATOM 514 C GLY A 413 -8.131 -3.924 3.359 1.00 0.00 C ATOM 515 O GLY A 413 -7.485 -3.040 3.920 1.00 0.00 O ATOM 0 H GLY A 413 -8.393 -4.663 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -8.000 -6.068 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.512 -5.416 4.059 1.00 0.00 H new ATOM 519 N ASP A 414 -8.630 -3.771 2.133 1.00 0.00 N ATOM 520 CA ASP A 414 -8.348 -2.605 1.282 1.00 0.00 C ATOM 521 C ASP A 414 -8.847 -1.279 1.883 1.00 0.00 C ATOM 522 O ASP A 414 -8.217 -0.237 1.703 1.00 0.00 O ATOM 523 CB ASP A 414 -8.982 -2.818 -0.102 1.00 0.00 C ATOM 524 CG ASP A 414 -8.485 -4.072 -0.829 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.275 -4.373 -0.752 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.280 -4.753 -1.513 1.00 0.00 O ATOM 0 H ASP A 414 -9.247 -4.455 1.695 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.264 -2.524 1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.064 -2.881 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.777 -1.946 -0.722 1.00 0.00 H new ATOM 531 N GLN A 415 -9.957 -1.323 2.629 1.00 0.00 N ATOM 532 CA GLN A 415 -10.534 -0.158 3.310 1.00 0.00 C ATOM 533 C GLN A 415 -9.780 0.194 4.601 1.00 0.00 C ATOM 534 O GLN A 415 -9.701 1.370 4.953 1.00 0.00 O ATOM 535 CB GLN A 415 -12.020 -0.410 3.612 1.00 0.00 C ATOM 536 CG GLN A 415 -12.876 -0.526 2.337 1.00 0.00 C ATOM 537 CD GLN A 415 -14.369 -0.711 2.634 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.779 -1.416 3.550 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.249 -0.089 1.874 1.00 0.00 N ATOM 0 H GLN A 415 -10.487 -2.181 2.779 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.437 0.695 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.118 -1.326 4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.404 0.402 4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.740 0.370 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.522 -1.369 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.932 0.503 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.247 -0.200 2.054 1.00 0.00 H new ATOM 548 N ASP A 416 -9.176 -0.788 5.282 1.00 0.00 N ATOM 549 CA ASP A 416 -8.346 -0.546 6.468 1.00 0.00 C ATOM 550 C ASP A 416 -7.030 0.139 6.078 1.00 0.00 C ATOM 551 O ASP A 416 -6.603 1.086 6.742 1.00 0.00 O ATOM 552 CB ASP A 416 -8.054 -1.859 7.210 1.00 0.00 C ATOM 553 CG ASP A 416 -9.327 -2.581 7.666 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.969 -2.120 8.641 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.663 -3.621 7.054 1.00 0.00 O ATOM 0 H ASP A 416 -9.249 -1.773 5.026 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.901 0.114 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.481 -2.519 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.430 -1.649 8.079 1.00 0.00 H new ATOM 560 N LEU A 417 -6.426 -0.284 4.958 1.00 0.00 N ATOM 561 CA LEU A 417 -5.244 0.366 4.399 1.00 0.00 C ATOM 562 C LEU A 417 -5.568 1.764 3.854 1.00 0.00 C ATOM 563 O LEU A 417 -4.773 2.681 4.045 1.00 0.00 O ATOM 564 CB LEU A 417 -4.621 -0.549 3.330 1.00 0.00 C ATOM 565 CG LEU A 417 -3.203 -0.115 2.903 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.201 -0.271 4.056 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.739 -0.957 1.709 1.00 0.00 C ATOM 0 H LEU A 417 -6.748 -1.087 4.418 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.512 0.519 5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.581 -1.568 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.268 -0.564 2.453 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.244 0.937 2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.212 0.043 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.514 0.348 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.165 -1.315 4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.737 -0.646 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.724 -2.010 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.426 -0.814 0.875 1.00 0.00 H new ATOM 579 N LEU A 418 -6.747 1.967 3.251 1.00 0.00 N ATOM 580 CA LEU A 418 -7.201 3.299 2.838 1.00 0.00 C ATOM 581 C LEU A 418 -7.357 4.226 4.051 1.00 0.00 C ATOM 582 O LEU A 418 -6.813 5.328 4.048 1.00 0.00 O ATOM 583 CB LEU A 418 -8.507 3.175 2.028 1.00 0.00 C ATOM 584 CG LEU A 418 -9.070 4.523 1.528 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.104 5.243 0.577 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.416 4.310 0.829 1.00 0.00 C ATOM 0 H LEU A 418 -7.407 1.219 3.038 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.448 3.752 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.329 2.527 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.260 2.686 2.646 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.204 5.156 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.546 6.185 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.165 5.441 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.914 4.614 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.801 5.269 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.282 3.643 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.124 3.867 1.530 1.00 0.00 H new ATOM 598 N GLN A 419 -8.050 3.789 5.105 1.00 0.00 N ATOM 599 CA GLN A 419 -8.271 4.599 6.309 1.00 0.00 C ATOM 600 C GLN A 419 -6.986 4.852 7.115 1.00 0.00 C ATOM 601 O GLN A 419 -6.897 5.863 7.813 1.00 0.00 O ATOM 602 CB GLN A 419 -9.370 3.954 7.168 1.00 0.00 C ATOM 603 CG GLN A 419 -10.757 4.136 6.527 1.00 0.00 C ATOM 604 CD GLN A 419 -11.892 3.434 7.278 1.00 0.00 C ATOM 605 OE1 GLN A 419 -11.779 3.007 8.422 1.00 0.00 O ATOM 606 NE2 GLN A 419 -13.052 3.306 6.664 1.00 0.00 N ATOM 0 H GLN A 419 -8.475 2.863 5.149 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.603 5.586 5.987 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.161 2.892 7.293 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.365 4.399 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.980 5.201 6.467 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.725 3.759 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.166 3.655 5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.835 2.858 7.141 1.00 0.00 H new ATOM 615 N MET A 420 -5.964 4.001 6.969 1.00 0.00 N ATOM 616 CA MET A 420 -4.625 4.222 7.528 1.00 0.00 C ATOM 617 C MET A 420 -3.822 5.295 6.768 1.00 0.00 C ATOM 618 O MET A 420 -2.987 5.958 7.385 1.00 0.00 O ATOM 619 CB MET A 420 -3.899 2.865 7.585 1.00 0.00 C ATOM 620 CG MET A 420 -2.454 2.950 8.091 1.00 0.00 C ATOM 621 SD MET A 420 -1.595 1.358 8.169 1.00 0.00 S ATOM 622 CE MET A 420 -2.127 0.815 9.807 1.00 0.00 C ATOM 0 H MET A 420 -6.045 3.126 6.451 1.00 0.00 H new ATOM 0 HA MET A 420 -4.722 4.626 8.536 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.460 2.191 8.232 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.899 2.423 6.589 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.893 3.621 7.440 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.455 3.398 9.085 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.824 -0.220 9.963 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.666 1.446 10.567 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.212 0.891 9.881 1.00 0.00 H new ATOM 632 N PHE A 421 -4.077 5.503 5.467 1.00 0.00 N ATOM 633 CA PHE A 421 -3.266 6.364 4.591 1.00 0.00 C ATOM 634 C PHE A 421 -3.973 7.646 4.096 1.00 0.00 C ATOM 635 O PHE A 421 -3.296 8.603 3.716 1.00 0.00 O ATOM 636 CB PHE A 421 -2.693 5.514 3.441 1.00 0.00 C ATOM 637 CG PHE A 421 -1.453 4.710 3.817 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.555 3.549 4.605 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.176 5.132 3.393 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.403 2.844 4.996 1.00 0.00 C ATOM 641 CE2 PHE A 421 0.979 4.433 3.786 1.00 0.00 C ATOM 642 CZ PHE A 421 0.866 3.294 4.602 1.00 0.00 C ATOM 0 H PHE A 421 -4.866 5.071 4.986 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.449 6.758 5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.465 4.828 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.448 6.170 2.606 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.528 3.196 4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.084 6.002 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.495 1.954 5.601 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.952 4.771 3.461 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.752 2.768 4.924 1.00 0.00 H new ATOM 652 N MET A 422 -5.305 7.749 4.186 1.00 0.00 N ATOM 653 CA MET A 422 -6.049 8.991 3.934 1.00 0.00 C ATOM 654 C MET A 422 -5.589 10.228 4.747 1.00 0.00 C ATOM 655 O MET A 422 -5.644 11.325 4.181 1.00 0.00 O ATOM 656 CB MET A 422 -7.549 8.742 4.155 1.00 0.00 C ATOM 657 CG MET A 422 -8.217 8.139 2.915 1.00 0.00 C ATOM 658 SD MET A 422 -10.032 8.162 2.906 1.00 0.00 S ATOM 659 CE MET A 422 -10.412 7.149 4.359 1.00 0.00 C ATOM 0 H MET A 422 -5.904 6.963 4.439 1.00 0.00 H new ATOM 0 HA MET A 422 -5.835 9.249 2.897 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.684 8.071 5.003 1.00 0.00 H new ATOM 0 HB3 MET A 422 -8.039 9.681 4.411 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.861 8.677 2.036 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.885 7.106 2.813 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.493 7.046 4.458 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.962 6.163 4.243 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.010 7.628 5.252 1.00 0.00 H new ATOM 669 N PRO A 423 -5.118 10.112 6.011 1.00 0.00 N ATOM 670 CA PRO A 423 -4.645 11.250 6.806 1.00 0.00 C ATOM 671 C PRO A 423 -3.474 12.056 6.215 1.00 0.00 C ATOM 672 O PRO A 423 -3.243 13.178 6.667 1.00 0.00 O ATOM 673 CB PRO A 423 -4.259 10.667 8.170 1.00 0.00 C ATOM 674 CG PRO A 423 -5.193 9.470 8.309 1.00 0.00 C ATOM 675 CD PRO A 423 -5.256 8.947 6.878 1.00 0.00 C ATOM 0 HA PRO A 423 -5.448 11.986 6.848 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.212 10.367 8.199 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.406 11.389 8.973 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.799 8.724 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.176 9.761 8.681 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.459 8.227 6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.200 8.434 6.693 1.00 0.00 H new ATOM 683 N PHE A 424 -2.744 11.524 5.223 1.00 0.00 N ATOM 684 CA PHE A 424 -1.546 12.166 4.653 1.00 0.00 C ATOM 685 C PHE A 424 -1.803 12.904 3.328 1.00 0.00 C ATOM 686 O PHE A 424 -0.947 13.667 2.875 1.00 0.00 O ATOM 687 CB PHE A 424 -0.441 11.114 4.506 1.00 0.00 C ATOM 688 CG PHE A 424 -0.251 10.265 5.748 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.181 10.855 6.951 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.585 8.901 5.720 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.268 10.083 8.122 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.475 8.122 6.885 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.065 8.717 8.090 1.00 0.00 C ATOM 0 H PHE A 424 -2.969 10.629 4.789 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.231 12.946 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.677 10.464 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.498 11.614 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.446 11.902 6.974 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.927 8.449 4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.591 10.539 9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.705 7.067 6.854 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.006 8.125 8.992 1.00 0.00 H new ATOM 703 N GLY A 425 -2.988 12.720 2.731 1.00 0.00 N ATOM 704 CA GLY A 425 -3.463 13.478 1.564 1.00 0.00 C ATOM 705 C GLY A 425 -4.359 12.692 0.607 1.00 0.00 C ATOM 706 O GLY A 425 -4.973 11.690 0.976 1.00 0.00 O ATOM 0 H GLY A 425 -3.660 12.023 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -4.011 14.353 1.915 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.598 13.844 1.011 1.00 0.00 H new ATOM 710 N ASN A 426 -4.461 13.178 -0.633 1.00 0.00 N ATOM 711 CA ASN A 426 -5.386 12.662 -1.647 1.00 0.00 C ATOM 712 C ASN A 426 -4.934 11.295 -2.208 1.00 0.00 C ATOM 713 O ASN A 426 -4.154 11.232 -3.163 1.00 0.00 O ATOM 714 CB ASN A 426 -5.562 13.728 -2.745 1.00 0.00 C ATOM 715 CG ASN A 426 -6.608 13.350 -3.795 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.398 12.428 -3.631 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.650 14.064 -4.906 1.00 0.00 N ATOM 0 H ASN A 426 -3.892 13.956 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.355 12.471 -1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -5.847 14.673 -2.282 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.604 13.892 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.340 13.847 -5.626 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -5.993 14.832 -5.044 1.00 0.00 H new ATOM 724 N VAL A 427 -5.429 10.208 -1.610 1.00 0.00 N ATOM 725 CA VAL A 427 -5.177 8.820 -2.038 1.00 0.00 C ATOM 726 C VAL A 427 -5.937 8.525 -3.343 1.00 0.00 C ATOM 727 O VAL A 427 -7.144 8.741 -3.435 1.00 0.00 O ATOM 728 CB VAL A 427 -5.555 7.794 -0.938 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.336 6.345 -1.402 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.730 7.993 0.346 1.00 0.00 C ATOM 0 H VAL A 427 -6.034 10.266 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.107 8.716 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.612 7.968 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.613 5.660 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.953 6.146 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.286 6.199 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -5.028 7.253 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.670 7.873 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.906 8.994 0.740 1.00 0.00 H new ATOM 740 N VAL A 428 -5.209 8.013 -4.335 1.00 0.00 N ATOM 741 CA VAL A 428 -5.684 7.613 -5.674 1.00 0.00 C ATOM 742 C VAL A 428 -6.037 6.117 -5.723 1.00 0.00 C ATOM 743 O VAL A 428 -6.974 5.731 -6.421 1.00 0.00 O ATOM 744 CB VAL A 428 -4.609 7.974 -6.734 1.00 0.00 C ATOM 745 CG1 VAL A 428 -4.788 7.278 -8.094 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.607 9.494 -6.970 1.00 0.00 C ATOM 0 H VAL A 428 -4.208 7.853 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.599 8.160 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.665 7.620 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -3.992 7.590 -8.770 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -4.745 6.197 -7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -5.754 7.552 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -3.852 9.746 -7.714 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.588 9.808 -7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.380 10.007 -6.035 1.00 0.00 H new ATOM 756 N SER A 429 -5.344 5.277 -4.950 1.00 0.00 N ATOM 757 CA SER A 429 -5.587 3.831 -4.868 1.00 0.00 C ATOM 758 C SER A 429 -5.047 3.259 -3.552 1.00 0.00 C ATOM 759 O SER A 429 -4.067 3.774 -3.010 1.00 0.00 O ATOM 760 CB SER A 429 -4.930 3.109 -6.050 1.00 0.00 C ATOM 761 OG SER A 429 -5.593 1.890 -6.332 1.00 0.00 O ATOM 0 H SER A 429 -4.581 5.589 -4.349 1.00 0.00 H new ATOM 0 HA SER A 429 -6.665 3.671 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.952 3.751 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 429 -3.882 2.913 -5.824 1.00 0.00 H new ATOM 0 HG SER A 429 -5.192 1.170 -5.802 1.00 0.00 H new ATOM 767 N ALA A 430 -5.663 2.182 -3.056 1.00 0.00 N ATOM 768 CA ALA A 430 -5.250 1.450 -1.860 1.00 0.00 C ATOM 769 C ALA A 430 -5.660 -0.027 -1.974 1.00 0.00 C ATOM 770 O ALA A 430 -6.801 -0.347 -2.320 1.00 0.00 O ATOM 771 CB ALA A 430 -5.865 2.119 -0.623 1.00 0.00 C ATOM 0 H ALA A 430 -6.493 1.783 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.165 1.478 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.561 1.577 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.520 3.151 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.952 2.104 -0.704 1.00 0.00 H new ATOM 777 N LYS A 431 -4.733 -0.939 -1.683 1.00 0.00 N ATOM 778 CA LYS A 431 -4.931 -2.378 -1.868 1.00 0.00 C ATOM 779 C LYS A 431 -4.056 -3.209 -0.910 1.00 0.00 C ATOM 780 O LYS A 431 -2.853 -2.983 -0.823 1.00 0.00 O ATOM 781 CB LYS A 431 -4.595 -2.731 -3.337 1.00 0.00 C ATOM 782 CG LYS A 431 -4.950 -4.175 -3.741 1.00 0.00 C ATOM 783 CD LYS A 431 -6.430 -4.318 -4.126 1.00 0.00 C ATOM 784 CE LYS A 431 -6.885 -5.785 -4.196 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.214 -6.347 -2.859 1.00 0.00 N ATOM 0 H LYS A 431 -3.815 -0.699 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.969 -2.621 -1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.125 -2.042 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.529 -2.572 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.326 -4.480 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.724 -4.849 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.043 -3.786 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.597 -3.843 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -7.759 -5.860 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.098 -6.384 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.433 -7.359 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -6.401 -6.226 -2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.039 -5.849 -2.467 1.00 0.00 H new ATOM 799 N VAL A 432 -4.636 -4.201 -0.240 1.00 0.00 N ATOM 800 CA VAL A 432 -3.935 -5.249 0.517 1.00 0.00 C ATOM 801 C VAL A 432 -3.969 -6.520 -0.330 1.00 0.00 C ATOM 802 O VAL A 432 -5.014 -6.865 -0.890 1.00 0.00 O ATOM 803 CB VAL A 432 -4.595 -5.516 1.888 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.850 -6.616 2.662 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.617 -4.247 2.752 1.00 0.00 C ATOM 0 H VAL A 432 -5.650 -4.306 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.913 -4.927 0.717 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.616 -5.839 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.339 -6.780 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.864 -7.540 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.818 -6.308 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -5.088 -4.467 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.596 -3.903 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.183 -3.468 2.240 1.00 0.00 H new ATOM 815 N PHE A 433 -2.836 -7.214 -0.433 1.00 0.00 N ATOM 816 CA PHE A 433 -2.754 -8.507 -1.109 1.00 0.00 C ATOM 817 C PHE A 433 -3.204 -9.610 -0.138 1.00 0.00 C ATOM 818 O PHE A 433 -2.738 -9.682 0.999 1.00 0.00 O ATOM 819 CB PHE A 433 -1.333 -8.695 -1.661 1.00 0.00 C ATOM 820 CG PHE A 433 -0.979 -7.653 -2.711 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.459 -7.786 -4.028 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.221 -6.520 -2.362 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.181 -6.793 -4.986 1.00 0.00 C ATOM 824 CE2 PHE A 433 0.061 -5.528 -3.319 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.420 -5.664 -4.632 1.00 0.00 C ATOM 0 H PHE A 433 -1.947 -6.894 -0.049 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.426 -8.559 -1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.617 -8.639 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.243 -9.691 -2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.042 -8.652 -4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.147 -6.411 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.553 -6.898 -5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.647 -4.663 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.206 -4.903 -5.368 1.00 0.00 H new ATOM 963 N LYS A 442 -1.655 -11.032 3.311 1.00 0.00 N ATOM 964 CA LYS A 442 -0.294 -11.563 3.191 1.00 0.00 C ATOM 965 C LYS A 442 0.759 -10.710 3.941 1.00 0.00 C ATOM 966 O LYS A 442 1.961 -10.955 3.815 1.00 0.00 O ATOM 967 CB LYS A 442 0.044 -11.726 1.696 1.00 0.00 C ATOM 968 CG LYS A 442 -0.872 -12.731 0.977 1.00 0.00 C ATOM 969 CD LYS A 442 -0.449 -12.899 -0.488 1.00 0.00 C ATOM 970 CE LYS A 442 -1.352 -13.927 -1.183 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.950 -14.151 -2.596 1.00 0.00 N ATOM 0 HA LYS A 442 -0.259 -12.537 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.034 -10.756 1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.079 -12.052 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.832 -13.695 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.905 -12.388 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.511 -11.941 -1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.591 -13.223 -0.540 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -1.312 -14.871 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -2.386 -13.584 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -1.584 -14.852 -3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -1.012 -13.255 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.028 -14.503 -2.627 1.00 0.00 H new ATOM 985 N CYS A 443 0.307 -9.687 4.681 1.00 0.00 N ATOM 986 CA CYS A 443 1.080 -8.691 5.438 1.00 0.00 C ATOM 987 C CYS A 443 1.758 -7.640 4.541 1.00 0.00 C ATOM 988 O CYS A 443 2.673 -6.956 4.998 1.00 0.00 O ATOM 989 CB CYS A 443 2.051 -9.353 6.435 1.00 0.00 C ATOM 990 SG CYS A 443 1.157 -10.491 7.536 1.00 0.00 S ATOM 0 H CYS A 443 -0.695 -9.521 4.773 1.00 0.00 H new ATOM 0 HA CYS A 443 0.360 -8.130 6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.825 -9.896 5.892 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.554 -8.587 7.025 1.00 0.00 H new ATOM 0 HG CYS A 443 0.539 -9.810 8.455 1.00 0.00 H new ATOM 996 N PHE A 444 1.311 -7.468 3.293 1.00 0.00 N ATOM 997 CA PHE A 444 1.809 -6.427 2.392 1.00 0.00 C ATOM 998 C PHE A 444 0.714 -5.888 1.459 1.00 0.00 C ATOM 999 O PHE A 444 -0.308 -6.537 1.220 1.00 0.00 O ATOM 1000 CB PHE A 444 3.071 -6.903 1.647 1.00 0.00 C ATOM 1001 CG PHE A 444 2.837 -7.865 0.497 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.733 -9.249 0.734 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.749 -7.377 -0.821 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.528 -10.137 -0.337 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.544 -8.266 -1.893 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.428 -9.646 -1.651 1.00 0.00 C ATOM 0 H PHE A 444 0.587 -8.054 2.877 1.00 0.00 H new ATOM 0 HA PHE A 444 2.108 -5.572 2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.595 -6.028 1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.736 -7.381 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.811 -9.630 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 444 2.839 -6.317 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.447 -11.198 -0.150 1.00 0.00 H new ATOM 0 HE2 PHE A 444 2.476 -7.888 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.262 -10.327 -2.472 1.00 0.00 H new ATOM 1016 N GLY A 445 0.927 -4.664 0.973 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.043 -3.854 0.236 1.00 0.00 C ATOM 1018 C GLY A 445 0.595 -2.774 -0.636 1.00 0.00 C ATOM 1019 O GLY A 445 1.818 -2.670 -0.746 1.00 0.00 O ATOM 0 H GLY A 445 1.822 -4.189 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.645 -4.508 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.722 -3.381 0.946 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.257 -1.953 -1.243 1.00 0.00 N ATOM 1024 CA PHE A 446 0.085 -0.856 -2.144 1.00 0.00 C ATOM 1025 C PHE A 446 -0.845 0.339 -1.897 1.00 0.00 C ATOM 1026 O PHE A 446 -2.030 0.157 -1.620 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.018 -1.350 -3.597 1.00 0.00 C ATOM 1028 CG PHE A 446 0.204 -0.268 -4.640 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.511 0.103 -5.003 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.893 0.390 -5.231 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.727 1.113 -5.958 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.676 1.403 -6.181 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.631 1.761 -6.554 1.00 0.00 C ATOM 0 H PHE A 446 -1.265 -2.041 -1.111 1.00 0.00 H new ATOM 0 HA PHE A 446 1.107 -0.525 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.713 -2.144 -3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.003 -1.790 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.355 -0.391 -4.545 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.900 0.116 -4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.734 1.390 -6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.519 1.910 -6.627 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.793 2.530 -7.295 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.311 1.556 -2.019 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.045 2.824 -1.870 1.00 0.00 C ATOM 1045 C VAL A 447 -0.477 3.841 -2.862 1.00 0.00 C ATOM 1046 O VAL A 447 0.732 3.902 -3.048 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.959 3.387 -0.426 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.698 4.728 -0.273 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.539 2.417 0.617 1.00 0.00 C ATOM 0 H VAL A 447 0.677 1.696 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.098 2.635 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 447 0.107 3.529 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.607 5.078 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.260 5.464 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.751 4.593 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.455 2.858 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.588 2.226 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.985 1.478 0.589 1.00 0.00 H new ATOM 1059 N SER A 448 -1.317 4.658 -3.488 1.00 0.00 N ATOM 1060 CA SER A 448 -0.886 5.720 -4.410 1.00 0.00 C ATOM 1061 C SER A 448 -1.631 7.037 -4.171 1.00 0.00 C ATOM 1062 O SER A 448 -2.766 7.044 -3.693 1.00 0.00 O ATOM 1063 CB SER A 448 -1.052 5.262 -5.865 1.00 0.00 C ATOM 1064 OG SER A 448 -2.407 4.983 -6.183 1.00 0.00 O ATOM 0 H SER A 448 -2.329 4.607 -3.373 1.00 0.00 H new ATOM 0 HA SER A 448 0.169 5.911 -4.213 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.674 6.035 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.449 4.370 -6.036 1.00 0.00 H new ATOM 0 HG SER A 448 -2.445 4.272 -6.856 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.000 8.163 -4.512 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.505 9.520 -4.277 1.00 0.00 C ATOM 1072 C TYR A 449 -1.536 10.380 -5.550 1.00 0.00 C ATOM 1073 O TYR A 449 -0.878 10.084 -6.549 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.634 10.225 -3.225 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.754 9.691 -1.816 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.031 8.549 -1.424 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.597 10.345 -0.894 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.135 8.071 -0.107 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.716 9.862 0.421 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.982 8.723 0.814 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.100 8.227 2.070 1.00 0.00 O ATOM 0 H TYR A 449 -0.091 8.156 -4.976 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.531 9.413 -3.926 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.409 10.153 -3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.891 11.284 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.603 8.040 -2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.153 11.219 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.433 7.205 0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.365 10.360 1.126 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.964 8.495 2.448 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.262 11.496 -5.481 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.290 12.534 -6.517 1.00 0.00 C ATOM 1093 C ASP A 450 -1.025 13.426 -6.514 1.00 0.00 C ATOM 1094 O ASP A 450 -0.800 14.176 -7.464 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.572 13.357 -6.319 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.870 14.326 -7.476 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -3.937 13.873 -8.644 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -4.101 15.528 -7.203 1.00 0.00 O ATOM 0 H ASP A 450 -2.862 11.710 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.292 12.060 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.415 12.677 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.489 13.926 -5.393 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.179 13.322 -5.477 1.00 0.00 N ATOM 1104 CA ASN A 451 1.048 14.116 -5.304 1.00 0.00 C ATOM 1105 C ASN A 451 2.176 13.291 -4.635 1.00 0.00 C ATOM 1106 O ASN A 451 1.888 12.506 -3.724 1.00 0.00 O ATOM 1107 CB ASN A 451 0.795 15.391 -4.463 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.625 15.951 -4.509 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.968 16.773 -5.352 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.471 15.545 -3.577 1.00 0.00 N ATOM 0 H ASN A 451 -0.334 12.664 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 451 1.363 14.406 -6.306 1.00 0.00 H new ATOM 0 HB2 ASN A 451 1.045 15.173 -3.425 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.482 16.167 -4.800 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.421 15.916 -3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.174 14.861 -2.881 1.00 0.00 H new ATOM 1117 N PRO A 452 3.461 13.511 -4.994 1.00 0.00 N ATOM 1118 CA PRO A 452 4.609 12.917 -4.298 1.00 0.00 C ATOM 1119 C PRO A 452 4.750 13.373 -2.839 1.00 0.00 C ATOM 1120 O PRO A 452 5.251 12.623 -2.008 1.00 0.00 O ATOM 1121 CB PRO A 452 5.856 13.336 -5.087 1.00 0.00 C ATOM 1122 CG PRO A 452 5.325 13.803 -6.437 1.00 0.00 C ATOM 1123 CD PRO A 452 3.919 14.302 -6.129 1.00 0.00 C ATOM 0 HA PRO A 452 4.473 11.836 -4.256 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.397 14.134 -4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.550 12.503 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.946 14.594 -6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.310 12.990 -7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.925 15.365 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.260 14.173 -6.988 1.00 0.00 H new ATOM 1131 N VAL A 453 4.310 14.594 -2.519 1.00 0.00 N ATOM 1132 CA VAL A 453 4.478 15.205 -1.184 1.00 0.00 C ATOM 1133 C VAL A 453 3.523 14.577 -0.156 1.00 0.00 C ATOM 1134 O VAL A 453 3.944 14.257 0.953 1.00 0.00 O ATOM 1135 CB VAL A 453 4.304 16.743 -1.239 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.496 17.402 0.138 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.303 17.373 -2.229 1.00 0.00 C ATOM 0 H VAL A 453 3.822 15.197 -3.181 1.00 0.00 H new ATOM 0 HA VAL A 453 5.498 14.999 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 453 3.282 16.923 -1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.364 18.480 0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.761 17.004 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.499 17.189 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.162 18.454 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.321 17.146 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.134 16.965 -3.226 1.00 0.00 H new ATOM 1147 N SER A 454 2.265 14.320 -0.531 1.00 0.00 N ATOM 1148 CA SER A 454 1.303 13.575 0.299 1.00 0.00 C ATOM 1149 C SER A 454 1.702 12.101 0.477 1.00 0.00 C ATOM 1150 O SER A 454 1.478 11.512 1.535 1.00 0.00 O ATOM 1151 CB SER A 454 -0.101 13.679 -0.314 1.00 0.00 C ATOM 1152 OG SER A 454 -0.110 13.574 -1.735 1.00 0.00 O ATOM 0 H SER A 454 1.880 14.624 -1.425 1.00 0.00 H new ATOM 0 HA SER A 454 1.305 14.026 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.731 12.894 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.545 14.632 -0.025 1.00 0.00 H new ATOM 0 HG SER A 454 0.676 13.069 -2.031 1.00 0.00 H new ATOM 1158 N ALA A 455 2.368 11.525 -0.529 1.00 0.00 N ATOM 1159 CA ALA A 455 2.944 10.186 -0.459 1.00 0.00 C ATOM 1160 C ALA A 455 4.137 10.126 0.510 1.00 0.00 C ATOM 1161 O ALA A 455 4.150 9.291 1.412 1.00 0.00 O ATOM 1162 CB ALA A 455 3.310 9.759 -1.881 1.00 0.00 C ATOM 0 H ALA A 455 2.522 11.986 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 455 2.217 9.484 -0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.744 8.759 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.414 9.753 -2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.034 10.460 -2.297 1.00 0.00 H new ATOM 1168 N GLN A 456 5.103 11.044 0.391 1.00 0.00 N ATOM 1169 CA GLN A 456 6.234 11.154 1.321 1.00 0.00 C ATOM 1170 C GLN A 456 5.770 11.397 2.760 1.00 0.00 C ATOM 1171 O GLN A 456 6.305 10.775 3.677 1.00 0.00 O ATOM 1172 CB GLN A 456 7.189 12.275 0.869 1.00 0.00 C ATOM 1173 CG GLN A 456 8.206 11.799 -0.183 1.00 0.00 C ATOM 1174 CD GLN A 456 9.283 10.854 0.371 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.380 10.570 1.561 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.139 10.321 -0.475 1.00 0.00 N ATOM 0 H GLN A 456 5.123 11.736 -0.358 1.00 0.00 H new ATOM 0 HA GLN A 456 6.765 10.202 1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.606 13.100 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 456 7.724 12.663 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.672 11.293 -0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.693 12.670 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 456 10.078 10.542 -1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.863 9.687 -0.137 1.00 0.00 H new ATOM 1185 N ALA A 457 4.735 12.219 2.970 1.00 0.00 N ATOM 1186 CA ALA A 457 4.142 12.436 4.289 1.00 0.00 C ATOM 1187 C ALA A 457 3.622 11.137 4.934 1.00 0.00 C ATOM 1188 O ALA A 457 3.667 11.015 6.159 1.00 0.00 O ATOM 1189 CB ALA A 457 3.036 13.489 4.160 1.00 0.00 C ATOM 0 H ALA A 457 4.286 12.753 2.226 1.00 0.00 H new ATOM 0 HA ALA A 457 4.918 12.798 4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.583 13.662 5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.462 14.420 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.275 13.134 3.465 1.00 0.00 H new ATOM 1195 N ALA A 458 3.206 10.146 4.136 1.00 0.00 N ATOM 1196 CA ALA A 458 2.864 8.817 4.625 1.00 0.00 C ATOM 1197 C ALA A 458 4.112 7.973 4.920 1.00 0.00 C ATOM 1198 O ALA A 458 4.177 7.359 5.983 1.00 0.00 O ATOM 1199 CB ALA A 458 1.943 8.135 3.614 1.00 0.00 C ATOM 0 H ALA A 458 3.099 10.251 3.127 1.00 0.00 H new ATOM 0 HA ALA A 458 2.339 8.916 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.682 7.139 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.035 8.726 3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.454 8.053 2.654 1.00 0.00 H new ATOM 1205 N ILE A 459 5.133 7.977 4.049 1.00 0.00 N ATOM 1206 CA ILE A 459 6.390 7.226 4.286 1.00 0.00 C ATOM 1207 C ILE A 459 7.044 7.679 5.594 1.00 0.00 C ATOM 1208 O ILE A 459 7.359 6.848 6.444 1.00 0.00 O ATOM 1209 CB ILE A 459 7.408 7.346 3.122 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.774 7.029 1.755 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.606 6.400 3.370 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.741 7.231 0.586 1.00 0.00 C ATOM 0 H ILE A 459 5.119 8.492 3.169 1.00 0.00 H new ATOM 0 HA ILE A 459 6.108 6.175 4.353 1.00 0.00 H new ATOM 0 HB ILE A 459 7.747 8.381 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.422 5.997 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 459 5.900 7.664 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.317 6.490 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.096 6.671 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.251 5.371 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.236 6.992 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.073 8.269 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.604 6.576 0.710 1.00 0.00 H new ATOM 1224 N GLN A 460 7.205 8.991 5.784 1.00 0.00 N ATOM 1225 CA GLN A 460 7.894 9.550 6.950 1.00 0.00 C ATOM 1226 C GLN A 460 7.062 9.463 8.246 1.00 0.00 C ATOM 1227 O GLN A 460 7.607 9.653 9.334 1.00 0.00 O ATOM 1228 CB GLN A 460 8.331 11.001 6.666 1.00 0.00 C ATOM 1229 CG GLN A 460 9.197 11.210 5.404 1.00 0.00 C ATOM 1230 CD GLN A 460 10.374 10.243 5.256 1.00 0.00 C ATOM 1231 OE1 GLN A 460 11.050 9.875 6.211 1.00 0.00 O ATOM 1232 NE2 GLN A 460 10.666 9.784 4.055 1.00 0.00 N ATOM 0 H GLN A 460 6.861 9.697 5.133 1.00 0.00 H new ATOM 0 HA GLN A 460 8.779 8.937 7.120 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.437 11.618 6.576 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.886 11.368 7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 460 8.559 11.118 4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.583 12.229 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 460 10.115 10.079 3.249 1.00 0.00 H new ATOM 0 HE22 GLN A 460 11.443 9.134 3.932 1.00 0.00 H new ATOM 1241 N SER A 461 5.767 9.136 8.162 1.00 0.00 N ATOM 1242 CA SER A 461 4.896 8.914 9.330 1.00 0.00 C ATOM 1243 C SER A 461 4.679 7.427 9.669 1.00 0.00 C ATOM 1244 O SER A 461 4.510 7.093 10.845 1.00 0.00 O ATOM 1245 CB SER A 461 3.523 9.563 9.104 1.00 0.00 C ATOM 1246 OG SER A 461 3.621 10.968 8.926 1.00 0.00 O ATOM 0 H SER A 461 5.285 9.016 7.271 1.00 0.00 H new ATOM 0 HA SER A 461 5.415 9.372 10.172 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.052 9.119 8.227 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.877 9.350 9.955 1.00 0.00 H new ATOM 0 HG SER A 461 3.652 11.175 7.969 1.00 0.00 H new ATOM 1252 N MET A 462 4.700 6.532 8.670 1.00 0.00 N ATOM 1253 CA MET A 462 4.284 5.127 8.813 1.00 0.00 C ATOM 1254 C MET A 462 5.417 4.107 8.698 1.00 0.00 C ATOM 1255 O MET A 462 5.275 2.986 9.188 1.00 0.00 O ATOM 1256 CB MET A 462 3.190 4.798 7.790 1.00 0.00 C ATOM 1257 CG MET A 462 1.945 5.684 7.946 1.00 0.00 C ATOM 1258 SD MET A 462 1.241 5.779 9.619 1.00 0.00 S ATOM 1259 CE MET A 462 0.621 4.096 9.795 1.00 0.00 C ATOM 0 H MET A 462 5.010 6.766 7.727 1.00 0.00 H new ATOM 0 HA MET A 462 3.907 5.039 9.832 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.592 4.917 6.784 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.902 3.752 7.896 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.199 6.693 7.622 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.174 5.316 7.269 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.146 4.070 10.569 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.194 3.765 8.849 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.440 3.434 10.075 1.00 0.00 H new ATOM 1269 N ASN A 463 6.558 4.463 8.105 1.00 0.00 N ATOM 1270 CA ASN A 463 7.726 3.586 8.083 1.00 0.00 C ATOM 1271 C ASN A 463 8.325 3.473 9.501 1.00 0.00 C ATOM 1272 O ASN A 463 8.839 4.453 10.049 1.00 0.00 O ATOM 1273 CB ASN A 463 8.724 4.109 7.044 1.00 0.00 C ATOM 1274 CG ASN A 463 9.847 3.112 6.801 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.598 1.996 6.360 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.087 3.462 7.084 1.00 0.00 N ATOM 0 H ASN A 463 6.696 5.356 7.632 1.00 0.00 H new ATOM 0 HA ASN A 463 7.447 2.575 7.785 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.204 4.309 6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.143 5.056 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.850 2.801 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.283 4.393 7.451 1.00 0.00 H new ATOM 1283 N GLY A 464 8.219 2.287 10.111 1.00 0.00 N ATOM 1284 CA GLY A 464 8.580 2.013 11.512 1.00 0.00 C ATOM 1285 C GLY A 464 7.426 2.141 12.520 1.00 0.00 C ATOM 1286 O GLY A 464 7.665 1.972 13.715 1.00 0.00 O ATOM 0 H GLY A 464 7.867 1.460 9.628 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.987 1.004 11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.376 2.697 11.806 1.00 0.00 H new ATOM 1290 N PHE A 465 6.190 2.416 12.076 1.00 0.00 N ATOM 1291 CA PHE A 465 5.008 2.552 12.942 1.00 0.00 C ATOM 1292 C PHE A 465 4.683 1.230 13.652 1.00 0.00 C ATOM 1293 O PHE A 465 4.497 0.209 12.990 1.00 0.00 O ATOM 1294 CB PHE A 465 3.822 3.017 12.086 1.00 0.00 C ATOM 1295 CG PHE A 465 2.506 3.206 12.822 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.190 4.464 13.370 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.577 2.148 12.932 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.961 4.667 14.022 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.347 2.353 13.583 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.039 3.611 14.128 1.00 0.00 C ATOM 0 H PHE A 465 5.980 2.553 11.087 1.00 0.00 H new ATOM 0 HA PHE A 465 5.214 3.290 13.718 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.089 3.961 11.611 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.668 2.291 11.287 1.00 0.00 H new ATOM 0 HD1 PHE A 465 2.896 5.278 13.289 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.811 1.180 12.515 1.00 0.00 H new ATOM 0 HE1 PHE A 465 0.725 5.634 14.441 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.362 1.542 13.664 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.906 3.767 14.628 1.00 0.00 H new ATOM 1310 N GLN A 466 4.607 1.237 14.986 1.00 0.00 N ATOM 1311 CA GLN A 466 4.303 0.034 15.761 1.00 0.00 C ATOM 1312 C GLN A 466 2.796 -0.241 15.785 1.00 0.00 C ATOM 1313 O GLN A 466 1.990 0.641 16.084 1.00 0.00 O ATOM 1314 CB GLN A 466 4.909 0.131 17.173 1.00 0.00 C ATOM 1315 CG GLN A 466 4.872 -1.236 17.884 1.00 0.00 C ATOM 1316 CD GLN A 466 5.623 -1.256 19.216 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.722 -0.728 19.351 1.00 0.00 O ATOM 1318 NE2 GLN A 466 5.082 -1.887 20.239 1.00 0.00 N ATOM 0 H GLN A 466 4.754 2.071 15.554 1.00 0.00 H new ATOM 0 HA GLN A 466 4.767 -0.823 15.272 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.938 0.483 17.108 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.357 0.865 17.760 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.833 -1.517 18.058 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.300 -1.991 17.224 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.169 -2.330 20.140 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.577 -1.932 21.130 1.00 0.00 H new ATOM 1327 N ILE A 467 2.424 -1.488 15.494 1.00 0.00 N ATOM 1328 CA ILE A 467 1.040 -1.962 15.421 1.00 0.00 C ATOM 1329 C ILE A 467 0.981 -3.383 16.005 1.00 0.00 C ATOM 1330 O ILE A 467 1.571 -4.326 15.473 1.00 0.00 O ATOM 1331 CB ILE A 467 0.513 -1.791 13.973 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.024 -1.891 13.952 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.177 -2.726 12.943 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.652 -1.506 12.607 1.00 0.00 C ATOM 0 H ILE A 467 3.103 -2.223 15.295 1.00 0.00 H new ATOM 0 HA ILE A 467 0.356 -1.370 16.030 1.00 0.00 H new ATOM 0 HB ILE A 467 0.803 -0.791 13.651 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.316 -2.912 14.199 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.431 -1.246 14.730 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.751 -2.542 11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.250 -2.535 12.917 1.00 0.00 H new ATOM 0 HG23 ILE A 467 1.000 -3.764 13.226 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.736 -1.602 12.671 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.392 -0.475 12.366 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.275 -2.167 11.827 1.00 0.00 H new ATOM 1392 N ARG A 471 6.348 -3.810 13.789 1.00 0.00 N ATOM 1393 CA ARG A 471 6.506 -2.480 13.176 1.00 0.00 C ATOM 1394 C ARG A 471 6.390 -2.550 11.650 1.00 0.00 C ATOM 1395 O ARG A 471 6.984 -3.423 11.013 1.00 0.00 O ATOM 1396 CB ARG A 471 7.835 -1.837 13.620 1.00 0.00 C ATOM 1397 CG ARG A 471 7.790 -1.474 15.112 1.00 0.00 C ATOM 1398 CD ARG A 471 9.024 -0.722 15.611 1.00 0.00 C ATOM 1399 NE ARG A 471 8.815 -0.300 17.010 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.322 0.762 17.620 1.00 0.00 C ATOM 1401 NH1 ARG A 471 10.199 1.559 17.044 1.00 0.00 N ATOM 1402 NH2 ARG A 471 8.929 1.030 18.845 1.00 0.00 N ATOM 0 HA ARG A 471 5.693 -1.844 13.525 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.659 -2.526 13.433 1.00 0.00 H new ATOM 0 HB3 ARG A 471 8.027 -0.942 13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.906 -0.864 15.300 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.676 -2.389 15.694 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.904 -1.361 15.541 1.00 0.00 H new ATOM 0 HD3 ARG A 471 9.211 0.148 14.982 1.00 0.00 H new ATOM 0 HE ARG A 471 8.209 -0.896 17.574 1.00 0.00 H new ATOM 0 HH11 ARG A 471 10.513 1.369 16.092 1.00 0.00 H new ATOM 0 HH12 ARG A 471 10.564 2.366 17.550 1.00 0.00 H new ATOM 0 HH21 ARG A 471 8.248 0.426 19.306 1.00 0.00 H new ATOM 0 HH22 ARG A 471 9.305 1.842 19.335 1.00 0.00 H new ATOM 1416 N LEU A 472 5.605 -1.633 11.078 1.00 0.00 N ATOM 1417 CA LEU A 472 5.367 -1.502 9.637 1.00 0.00 C ATOM 1418 C LEU A 472 6.627 -1.041 8.891 1.00 0.00 C ATOM 1419 O LEU A 472 7.522 -0.423 9.466 1.00 0.00 O ATOM 1420 CB LEU A 472 4.220 -0.496 9.387 1.00 0.00 C ATOM 1421 CG LEU A 472 2.836 -0.890 9.938 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.799 0.174 9.550 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.387 -2.255 9.407 1.00 0.00 C ATOM 0 H LEU A 472 5.099 -0.936 11.625 1.00 0.00 H new ATOM 0 HA LEU A 472 5.092 -2.485 9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.503 0.461 9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.129 -0.341 8.312 1.00 0.00 H new ATOM 0 HG LEU A 472 2.916 -0.955 11.023 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.822 -0.110 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.092 1.137 9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.745 0.251 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.407 -2.500 9.816 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.327 -2.221 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.107 -3.017 9.707 1.00 0.00 H new ATOM 1435 N LYS A 473 6.653 -1.271 7.579 1.00 0.00 N ATOM 1436 CA LYS A 473 7.654 -0.741 6.646 1.00 0.00 C ATOM 1437 C LYS A 473 6.950 -0.162 5.404 1.00 0.00 C ATOM 1438 O LYS A 473 5.946 -0.709 4.952 1.00 0.00 O ATOM 1439 CB LYS A 473 8.657 -1.867 6.319 1.00 0.00 C ATOM 1440 CG LYS A 473 9.698 -1.484 5.251 1.00 0.00 C ATOM 1441 CD LYS A 473 10.739 -2.586 4.998 1.00 0.00 C ATOM 1442 CE LYS A 473 10.119 -3.856 4.392 1.00 0.00 C ATOM 1443 NZ LYS A 473 11.158 -4.862 4.041 1.00 0.00 N ATOM 0 H LYS A 473 5.954 -1.852 7.117 1.00 0.00 H new ATOM 0 HA LYS A 473 8.217 0.082 7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.177 -2.154 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.106 -2.743 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.184 -1.257 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.210 -0.574 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 473 11.509 -2.206 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.231 -2.839 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 473 9.416 -4.292 5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 473 9.551 -3.593 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 10.703 -5.704 3.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 11.815 -4.454 3.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.684 -5.131 4.897 1.00 0.00 H new ATOM 1457 N VAL A 474 7.463 0.936 4.846 1.00 0.00 N ATOM 1458 CA VAL A 474 6.907 1.611 3.661 1.00 0.00 C ATOM 1459 C VAL A 474 8.053 2.036 2.741 1.00 0.00 C ATOM 1460 O VAL A 474 9.057 2.566 3.216 1.00 0.00 O ATOM 1461 CB VAL A 474 6.061 2.852 4.044 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.381 3.427 2.796 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.985 2.538 5.095 1.00 0.00 C ATOM 0 H VAL A 474 8.297 1.396 5.211 1.00 0.00 H new ATOM 0 HA VAL A 474 6.249 0.908 3.151 1.00 0.00 H new ATOM 0 HB VAL A 474 6.749 3.577 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.788 4.299 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.140 3.720 2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.731 2.671 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.424 3.444 5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.306 1.780 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.460 2.167 6.003 1.00 0.00 H new ATOM 1473 N GLN A 475 7.905 1.815 1.431 1.00 0.00 N ATOM 1474 CA GLN A 475 8.897 2.173 0.412 1.00 0.00 C ATOM 1475 C GLN A 475 8.221 2.713 -0.853 1.00 0.00 C ATOM 1476 O GLN A 475 7.078 2.371 -1.154 1.00 0.00 O ATOM 1477 CB GLN A 475 9.745 0.942 0.037 1.00 0.00 C ATOM 1478 CG GLN A 475 10.659 0.457 1.170 1.00 0.00 C ATOM 1479 CD GLN A 475 11.517 -0.731 0.733 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.674 -0.593 0.355 1.00 0.00 O ATOM 1481 NE2 GLN A 475 10.989 -1.939 0.751 1.00 0.00 N ATOM 0 H GLN A 475 7.073 1.372 1.041 1.00 0.00 H new ATOM 0 HA GLN A 475 9.535 2.950 0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.080 0.129 -0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.356 1.183 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.305 1.274 1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 475 10.053 0.172 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 475 10.027 -2.070 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 475 11.543 -2.742 0.453 1.00 0.00 H new ATOM 1490 N LEU A 476 8.951 3.529 -1.618 1.00 0.00 N ATOM 1491 CA LEU A 476 8.547 3.944 -2.967 1.00 0.00 C ATOM 1492 C LEU A 476 8.556 2.766 -3.953 1.00 0.00 C ATOM 1493 O LEU A 476 9.306 1.794 -3.814 1.00 0.00 O ATOM 1494 CB LEU A 476 9.479 5.055 -3.495 1.00 0.00 C ATOM 1495 CG LEU A 476 9.338 6.439 -2.837 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.392 7.378 -3.434 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.948 7.041 -3.076 1.00 0.00 C ATOM 0 H LEU A 476 9.843 3.923 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 476 7.528 4.324 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.510 4.722 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.305 5.167 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 476 9.478 6.322 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.303 8.363 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.387 6.977 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.237 7.463 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.887 8.018 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.779 7.152 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.189 6.382 -2.655 1.00 0.00 H new ATOM 1509 N LYS A 477 7.760 2.892 -5.016 1.00 0.00 N ATOM 1510 CA LYS A 477 7.789 1.984 -6.166 1.00 0.00 C ATOM 1511 C LYS A 477 9.190 1.956 -6.820 1.00 0.00 C ATOM 1512 O LYS A 477 9.755 3.004 -7.143 1.00 0.00 O ATOM 1513 CB LYS A 477 6.670 2.394 -7.145 1.00 0.00 C ATOM 1514 CG LYS A 477 6.646 1.516 -8.409 1.00 0.00 C ATOM 1515 CD LYS A 477 5.340 1.688 -9.197 1.00 0.00 C ATOM 1516 CE LYS A 477 5.390 0.812 -10.456 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.104 0.833 -11.196 1.00 0.00 N ATOM 0 H LYS A 477 7.068 3.636 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 477 7.599 0.960 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.706 2.326 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.806 3.437 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.492 1.773 -9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.766 0.470 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.488 1.407 -8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.203 2.734 -9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.190 1.160 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.631 -0.213 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.236 0.402 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.389 0.295 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 3.784 1.816 -11.309 1.00 0.00 H new