USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -4.21! K(o=-4.2!,f=0.14) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.89! K(o=-3.9!,f=-2.7) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.0387 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.51 K(o=-0.51,f=-3.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.144 K(o=-0.14,f=-0.65) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.122 K(o=-0.12,f=-0.75) USER MOD Single : A 59 ASN : amide:sc= 0.478 X(o=0.48,f=0) USER MOD Single : A 62 MET CE :methyl 131:sc= -0.12 (180deg=-0.579) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N TYR A 16 -0.155 7.847 1.236 1.00 0.00 N ATOM 265 CA TYR A 16 -0.510 6.443 1.316 1.00 0.00 C ATOM 266 C TYR A 16 -1.741 6.150 0.467 1.00 0.00 C ATOM 267 O TYR A 16 -2.502 7.057 0.127 1.00 0.00 O ATOM 268 CB TYR A 16 -0.764 6.041 2.767 1.00 0.00 C ATOM 269 CG TYR A 16 -1.722 6.948 3.508 1.00 0.00 C ATOM 270 CD1 TYR A 16 -3.092 6.878 3.289 1.00 0.00 C ATOM 271 CD2 TYR A 16 -1.253 7.871 4.434 1.00 0.00 C ATOM 272 CE1 TYR A 16 -3.967 7.701 3.971 1.00 0.00 C ATOM 273 CE2 TYR A 16 -2.122 8.695 5.122 1.00 0.00 C ATOM 274 CZ TYR A 16 -3.476 8.608 4.887 1.00 0.00 C ATOM 275 OH TYR A 16 -4.346 9.428 5.571 1.00 0.00 O ATOM 0 HA TYR A 16 0.324 5.857 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.157 5.024 2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.187 6.025 3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.480 6.168 2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.192 7.946 4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.029 7.635 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.741 9.405 5.841 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.840 10.007 6.179 1.00 0.00 H new ATOM 285 N THR A 17 -1.931 4.882 0.131 1.00 0.00 N ATOM 286 CA THR A 17 -3.069 4.471 -0.680 1.00 0.00 C ATOM 287 C THR A 17 -4.180 3.890 0.189 1.00 0.00 C ATOM 288 O THR A 17 -3.980 3.618 1.373 1.00 0.00 O ATOM 289 CB THR A 17 -2.662 3.435 -1.747 1.00 0.00 C ATOM 290 OG1 THR A 17 -3.762 3.180 -2.629 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.215 2.132 -1.100 1.00 0.00 C ATOM 0 H THR A 17 -1.312 4.120 0.407 1.00 0.00 H new ATOM 0 HA THR A 17 -3.437 5.365 -1.184 1.00 0.00 H new ATOM 0 HB THR A 17 -1.827 3.845 -2.315 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.494 2.522 -3.304 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.934 1.419 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.358 2.322 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.032 1.721 -0.508 1.00 0.00 H new ATOM 299 N LYS A 18 -5.349 3.699 -0.413 1.00 0.00 N ATOM 300 CA LYS A 18 -6.501 3.154 0.296 1.00 0.00 C ATOM 301 C LYS A 18 -6.219 1.744 0.811 1.00 0.00 C ATOM 302 O LYS A 18 -6.796 1.311 1.809 1.00 0.00 O ATOM 303 CB LYS A 18 -7.717 3.135 -0.631 1.00 0.00 C ATOM 304 CG LYS A 18 -8.025 4.489 -1.249 1.00 0.00 C ATOM 305 CD LYS A 18 -8.860 4.356 -2.514 1.00 0.00 C ATOM 306 CE LYS A 18 -10.247 3.803 -2.219 1.00 0.00 C ATOM 307 NZ LYS A 18 -11.059 3.654 -3.459 1.00 0.00 N ATOM 0 H LYS A 18 -5.524 3.915 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.705 3.793 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.546 2.411 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.587 2.793 -0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.557 5.106 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.092 5.003 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.951 5.331 -2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.350 3.700 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.155 2.835 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.763 4.466 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.997 3.275 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.168 4.582 -3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.580 3.001 -4.111 1.00 0.00 H new ATOM 321 N TYR A 19 -5.323 1.034 0.131 1.00 0.00 N ATOM 322 CA TYR A 19 -4.979 -0.329 0.518 1.00 0.00 C ATOM 323 C TYR A 19 -4.086 -0.346 1.758 1.00 0.00 C ATOM 324 O TYR A 19 -4.275 -1.169 2.655 1.00 0.00 O ATOM 325 CB TYR A 19 -4.287 -1.053 -0.639 1.00 0.00 C ATOM 326 CG TYR A 19 -4.702 -2.500 -0.779 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.941 -2.837 -1.310 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.857 -3.528 -0.380 1.00 0.00 C ATOM 329 CE1 TYR A 19 -6.326 -4.158 -1.439 1.00 0.00 C ATOM 330 CE2 TYR A 19 -4.235 -4.850 -0.507 1.00 0.00 C ATOM 331 CZ TYR A 19 -5.470 -5.161 -1.037 1.00 0.00 C ATOM 332 OH TYR A 19 -5.851 -6.478 -1.166 1.00 0.00 O ATOM 0 H TYR A 19 -4.824 1.380 -0.689 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.905 -0.850 0.761 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.507 -0.529 -1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.208 -1.005 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.614 -2.054 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.889 -3.289 0.036 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.293 -4.403 -1.853 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.566 -5.638 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.134 -7.060 -0.838 1.00 0.00 H new ATOM 342 N GLN A 20 -3.115 0.562 1.803 1.00 0.00 N ATOM 343 CA GLN A 20 -2.198 0.642 2.937 1.00 0.00 C ATOM 344 C GLN A 20 -2.952 0.914 4.235 1.00 0.00 C ATOM 345 O GLN A 20 -2.866 0.141 5.189 1.00 0.00 O ATOM 346 CB GLN A 20 -1.151 1.736 2.708 1.00 0.00 C ATOM 347 CG GLN A 20 -0.076 1.356 1.704 1.00 0.00 C ATOM 348 CD GLN A 20 0.968 2.444 1.532 1.00 0.00 C ATOM 349 OE1 GLN A 20 1.979 2.466 2.233 1.00 0.00 O ATOM 350 NE2 GLN A 20 0.725 3.355 0.596 1.00 0.00 N ATOM 0 H GLN A 20 -2.943 1.251 1.070 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.694 -0.321 3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.653 2.640 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.677 1.977 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.412 0.437 2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.541 1.147 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.127 3.298 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.390 4.111 0.436 1.00 0.00 H new ATOM 359 N THR A 21 -3.694 2.016 4.259 1.00 0.00 N ATOM 360 CA THR A 21 -4.464 2.398 5.437 1.00 0.00 C ATOM 361 C THR A 21 -5.512 1.344 5.786 1.00 0.00 C ATOM 362 O THR A 21 -5.948 1.248 6.933 1.00 0.00 O ATOM 363 CB THR A 21 -5.165 3.753 5.224 1.00 0.00 C ATOM 364 OG1 THR A 21 -5.945 4.092 6.377 1.00 0.00 O ATOM 365 CG2 THR A 21 -6.058 3.708 3.995 1.00 0.00 C ATOM 0 H THR A 21 -3.778 2.662 3.474 1.00 0.00 H new ATOM 0 HA THR A 21 -3.758 2.482 6.263 1.00 0.00 H new ATOM 0 HB THR A 21 -4.399 4.514 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.385 4.956 6.232 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.544 4.675 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.455 3.481 3.116 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.816 2.936 4.124 1.00 0.00 H new ATOM 373 N LEU A 22 -5.911 0.557 4.791 1.00 0.00 N ATOM 374 CA LEU A 22 -6.912 -0.488 4.985 1.00 0.00 C ATOM 375 C LEU A 22 -6.406 -1.584 5.924 1.00 0.00 C ATOM 376 O LEU A 22 -7.078 -1.937 6.893 1.00 0.00 O ATOM 377 CB LEU A 22 -7.304 -1.081 3.622 1.00 0.00 C ATOM 378 CG LEU A 22 -7.520 -2.596 3.589 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.786 -2.983 4.339 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.581 -3.093 2.152 1.00 0.00 C ATOM 0 H LEU A 22 -5.555 0.624 3.838 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.790 -0.042 5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.220 -0.595 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.527 -0.829 2.901 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.674 -3.069 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.916 -4.065 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.705 -2.664 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.646 -2.498 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.735 -4.172 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.407 -2.606 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.645 -2.857 1.646 1.00 0.00 H new ATOM 392 N GLU A 23 -5.225 -2.120 5.635 1.00 0.00 N ATOM 393 CA GLU A 23 -4.645 -3.189 6.447 1.00 0.00 C ATOM 394 C GLU A 23 -4.111 -2.663 7.777 1.00 0.00 C ATOM 395 O GLU A 23 -4.182 -3.349 8.799 1.00 0.00 O ATOM 396 CB GLU A 23 -3.523 -3.883 5.671 1.00 0.00 C ATOM 397 CG GLU A 23 -4.013 -4.663 4.463 1.00 0.00 C ATOM 398 CD GLU A 23 -4.918 -5.818 4.841 1.00 0.00 C ATOM 399 OE1 GLU A 23 -4.394 -6.919 5.116 1.00 0.00 O ATOM 400 OE2 GLU A 23 -6.152 -5.624 4.863 1.00 0.00 O ATOM 0 H GLU A 23 -4.648 -1.833 4.844 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.436 -3.906 6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.803 -3.134 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.994 -4.561 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.550 -3.990 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.155 -5.045 3.910 1.00 0.00 H new ATOM 407 N LEU A 24 -3.582 -1.446 7.762 1.00 0.00 N ATOM 408 CA LEU A 24 -3.024 -0.841 8.967 1.00 0.00 C ATOM 409 C LEU A 24 -4.106 -0.532 10.000 1.00 0.00 C ATOM 410 O LEU A 24 -3.857 -0.600 11.203 1.00 0.00 O ATOM 411 CB LEU A 24 -2.260 0.438 8.614 1.00 0.00 C ATOM 412 CG LEU A 24 -1.060 0.245 7.682 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.484 1.590 7.268 1.00 0.00 C ATOM 414 CD2 LEU A 24 0.008 -0.607 8.353 1.00 0.00 C ATOM 0 H LEU A 24 -3.527 -0.858 6.930 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.338 -1.564 9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.953 1.139 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.912 0.901 9.537 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.402 -0.274 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.368 1.433 6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.247 2.168 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.159 2.135 8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.852 -0.733 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.345 -0.115 9.265 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.408 -1.584 8.600 1.00 0.00 H new ATOM 426 N GLU A 25 -5.306 -0.196 9.531 1.00 0.00 N ATOM 427 CA GLU A 25 -6.407 0.129 10.435 1.00 0.00 C ATOM 428 C GLU A 25 -7.070 -1.132 10.980 1.00 0.00 C ATOM 429 O GLU A 25 -7.494 -1.167 12.136 1.00 0.00 O ATOM 430 CB GLU A 25 -7.446 1.007 9.729 1.00 0.00 C ATOM 431 CG GLU A 25 -8.227 0.286 8.643 1.00 0.00 C ATOM 432 CD GLU A 25 -9.278 1.170 8.000 1.00 0.00 C ATOM 433 OE1 GLU A 25 -8.931 1.926 7.068 1.00 0.00 O ATOM 434 OE2 GLU A 25 -10.450 1.108 8.428 1.00 0.00 O ATOM 0 H GLU A 25 -5.540 -0.142 8.540 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.989 0.683 11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.146 1.392 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.941 1.867 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.537 -0.068 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.708 -0.594 9.069 1.00 0.00 H new ATOM 441 N LYS A 26 -7.157 -2.167 10.148 1.00 0.00 N ATOM 442 CA LYS A 26 -7.774 -3.425 10.559 1.00 0.00 C ATOM 443 C LYS A 26 -7.061 -4.019 11.770 1.00 0.00 C ATOM 444 O LYS A 26 -7.697 -4.592 12.655 1.00 0.00 O ATOM 445 CB LYS A 26 -7.768 -4.433 9.407 1.00 0.00 C ATOM 446 CG LYS A 26 -8.743 -4.093 8.291 1.00 0.00 C ATOM 447 CD LYS A 26 -10.186 -4.174 8.764 1.00 0.00 C ATOM 448 CE LYS A 26 -11.159 -3.891 7.631 1.00 0.00 C ATOM 449 NZ LYS A 26 -12.574 -3.929 8.093 1.00 0.00 N ATOM 0 H LYS A 26 -6.810 -2.160 9.189 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.806 -3.210 10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.762 -4.491 8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.009 -5.421 9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.537 -3.089 7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.594 -4.778 7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.381 -5.165 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.347 -3.459 9.570 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.943 -2.912 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.016 -4.625 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.206 -3.731 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.788 -4.871 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.717 -3.212 8.832 1.00 0.00 H new ATOM 463 N GLU A 27 -5.740 -3.880 11.805 1.00 0.00 N ATOM 464 CA GLU A 27 -4.951 -4.408 12.913 1.00 0.00 C ATOM 465 C GLU A 27 -4.920 -3.422 14.077 1.00 0.00 C ATOM 466 O GLU A 27 -4.667 -3.803 15.220 1.00 0.00 O ATOM 467 CB GLU A 27 -3.527 -4.722 12.447 1.00 0.00 C ATOM 468 CG GLU A 27 -2.752 -3.500 11.984 1.00 0.00 C ATOM 469 CD GLU A 27 -1.371 -3.851 11.466 1.00 0.00 C ATOM 470 OE1 GLU A 27 -0.477 -4.117 12.294 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.185 -3.859 10.231 1.00 0.00 O ATOM 0 H GLU A 27 -5.195 -3.409 11.083 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.421 -5.329 13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.984 -5.198 13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.572 -5.443 11.631 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.313 -2.994 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.658 -2.798 12.812 1.00 0.00 H new ATOM 478 N PHE A 28 -5.176 -2.156 13.773 1.00 0.00 N ATOM 479 CA PHE A 28 -5.190 -1.110 14.788 1.00 0.00 C ATOM 480 C PHE A 28 -6.334 -1.333 15.772 1.00 0.00 C ATOM 481 O PHE A 28 -6.298 -0.850 16.904 1.00 0.00 O ATOM 482 CB PHE A 28 -5.321 0.264 14.125 1.00 0.00 C ATOM 483 CG PHE A 28 -5.295 1.408 15.097 1.00 0.00 C ATOM 484 CD1 PHE A 28 -4.100 1.834 15.652 1.00 0.00 C ATOM 485 CD2 PHE A 28 -6.466 2.059 15.454 1.00 0.00 C ATOM 486 CE1 PHE A 28 -4.071 2.888 16.545 1.00 0.00 C ATOM 487 CE2 PHE A 28 -6.445 3.113 16.347 1.00 0.00 C ATOM 488 CZ PHE A 28 -5.245 3.528 16.893 1.00 0.00 C ATOM 0 H PHE A 28 -5.377 -1.828 12.828 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.250 -1.148 15.339 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.510 0.390 13.407 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.254 0.298 13.562 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.180 1.337 15.384 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.406 1.738 15.029 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.132 3.211 16.970 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -7.364 3.611 16.618 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.225 4.352 17.591 1.00 0.00 H new ATOM 498 N LEU A 29 -7.349 -2.068 15.330 1.00 0.00 N ATOM 499 CA LEU A 29 -8.514 -2.345 16.161 1.00 0.00 C ATOM 500 C LEU A 29 -8.136 -3.178 17.376 1.00 0.00 C ATOM 501 O LEU A 29 -8.342 -2.769 18.520 1.00 0.00 O ATOM 502 CB LEU A 29 -9.586 -3.079 15.351 1.00 0.00 C ATOM 503 CG LEU A 29 -9.800 -2.570 13.923 1.00 0.00 C ATOM 504 CD1 LEU A 29 -10.977 -3.283 13.276 1.00 0.00 C ATOM 505 CD2 LEU A 29 -10.018 -1.065 13.912 1.00 0.00 C ATOM 0 H LEU A 29 -7.388 -2.483 14.399 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.911 -1.389 16.504 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.322 -4.135 15.305 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.532 -3.010 15.888 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.902 -2.788 13.345 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.116 -2.910 12.261 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.781 -4.355 13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.880 -3.097 13.858 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.168 -0.727 12.887 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -10.898 -0.820 14.507 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.145 -0.568 14.334 1.00 0.00 H new ATOM 517 N PHE A 30 -7.579 -4.342 17.107 1.00 0.00 N ATOM 518 CA PHE A 30 -7.171 -5.268 18.157 1.00 0.00 C ATOM 519 C PHE A 30 -5.866 -4.825 18.805 1.00 0.00 C ATOM 520 O PHE A 30 -5.795 -4.646 20.022 1.00 0.00 O ATOM 521 CB PHE A 30 -7.028 -6.679 17.580 1.00 0.00 C ATOM 522 CG PHE A 30 -7.612 -7.759 18.448 1.00 0.00 C ATOM 523 CD1 PHE A 30 -8.903 -7.650 18.946 1.00 0.00 C ATOM 524 CD2 PHE A 30 -6.873 -8.890 18.761 1.00 0.00 C ATOM 525 CE1 PHE A 30 -9.441 -8.645 19.740 1.00 0.00 C ATOM 526 CE2 PHE A 30 -7.407 -9.887 19.554 1.00 0.00 C ATOM 527 CZ PHE A 30 -8.692 -9.765 20.044 1.00 0.00 C ATOM 0 H PHE A 30 -7.395 -4.676 16.161 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.941 -5.273 18.928 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.511 -6.711 16.604 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.971 -6.889 17.419 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.494 -6.777 18.710 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.868 -8.993 18.380 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.446 -8.547 20.122 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.819 -10.762 19.791 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.111 -10.544 20.664 1.00 0.00 H new ATOM 537 N ASN A 31 -4.841 -4.646 17.982 1.00 0.00 N ATOM 538 CA ASN A 31 -3.521 -4.229 18.461 1.00 0.00 C ATOM 539 C ASN A 31 -3.065 -5.062 19.658 1.00 0.00 C ATOM 540 O ASN A 31 -2.256 -4.608 20.468 1.00 0.00 O ATOM 541 CB ASN A 31 -3.532 -2.748 18.843 1.00 0.00 C ATOM 542 CG ASN A 31 -3.331 -1.828 17.652 1.00 0.00 C ATOM 543 OD1 ASN A 31 -3.833 -0.705 17.631 1.00 0.00 O ATOM 544 ND2 ASN A 31 -2.588 -2.296 16.655 1.00 0.00 N ATOM 0 H ASN A 31 -4.895 -4.783 16.973 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.816 -4.389 17.645 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.481 -2.509 19.324 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.747 -2.561 19.576 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.416 -1.718 15.833 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.190 -3.233 16.712 1.00 0.00 H new ATOM 551 N MET A 32 -3.580 -6.282 19.760 1.00 0.00 N ATOM 552 CA MET A 32 -3.228 -7.175 20.860 1.00 0.00 C ATOM 553 C MET A 32 -1.879 -7.843 20.630 1.00 0.00 C ATOM 554 O MET A 32 -1.541 -8.822 21.296 1.00 0.00 O ATOM 555 CB MET A 32 -4.292 -8.246 21.014 1.00 0.00 C ATOM 556 CG MET A 32 -5.347 -7.918 22.053 1.00 0.00 C ATOM 557 SD MET A 32 -4.695 -7.927 23.734 1.00 0.00 S ATOM 558 CE MET A 32 -6.161 -7.499 24.671 1.00 0.00 C ATOM 0 H MET A 32 -4.244 -6.677 19.094 1.00 0.00 H new ATOM 0 HA MET A 32 -3.164 -6.573 21.767 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.780 -8.401 20.052 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.811 -9.186 21.283 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.771 -6.937 21.837 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.160 -8.640 21.979 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.917 -7.465 25.733 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.525 -6.523 24.351 1.00 0.00 H new ATOM 0 HE3 MET A 32 -6.934 -8.249 24.500 1.00 0.00 H new ATOM 568 N TYR A 33 -1.128 -7.313 19.675 1.00 0.00 N ATOM 569 CA TYR A 33 0.193 -7.841 19.334 1.00 0.00 C ATOM 570 C TYR A 33 0.058 -9.175 18.606 1.00 0.00 C ATOM 571 O TYR A 33 0.089 -10.240 19.220 1.00 0.00 O ATOM 572 CB TYR A 33 1.054 -7.998 20.594 1.00 0.00 C ATOM 573 CG TYR A 33 2.479 -8.425 20.322 1.00 0.00 C ATOM 574 CD1 TYR A 33 3.426 -7.510 19.880 1.00 0.00 C ATOM 575 CD2 TYR A 33 2.879 -9.741 20.515 1.00 0.00 C ATOM 576 CE1 TYR A 33 4.731 -7.896 19.637 1.00 0.00 C ATOM 577 CE2 TYR A 33 4.182 -10.134 20.277 1.00 0.00 C ATOM 578 CZ TYR A 33 5.104 -9.208 19.838 1.00 0.00 C ATOM 579 OH TYR A 33 6.402 -9.595 19.598 1.00 0.00 O ATOM 0 H TYR A 33 -1.412 -6.509 19.115 1.00 0.00 H new ATOM 0 HA TYR A 33 0.688 -7.133 18.670 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.067 -7.050 21.132 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.586 -8.731 21.251 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.138 -6.481 19.724 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.159 -10.470 20.857 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.455 -7.173 19.291 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.477 -11.161 20.434 1.00 0.00 H new ATOM 0 HH TYR A 33 6.499 -10.551 19.790 1.00 0.00 H new ATOM 589 N LEU A 34 -0.103 -9.099 17.287 1.00 0.00 N ATOM 590 CA LEU A 34 -0.260 -10.288 16.458 1.00 0.00 C ATOM 591 C LEU A 34 1.019 -11.113 16.407 1.00 0.00 C ATOM 592 O LEU A 34 2.028 -10.759 17.016 1.00 0.00 O ATOM 593 CB LEU A 34 -0.677 -9.892 15.040 1.00 0.00 C ATOM 594 CG LEU A 34 -2.041 -9.211 14.928 1.00 0.00 C ATOM 595 CD1 LEU A 34 -2.318 -8.811 13.488 1.00 0.00 C ATOM 596 CD2 LEU A 34 -3.139 -10.128 15.445 1.00 0.00 C ATOM 0 H LEU A 34 -0.128 -8.221 16.769 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.039 -10.902 16.910 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.080 -9.223 14.630 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.683 -10.787 14.417 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.027 -8.310 15.541 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.293 -8.328 13.426 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.547 -8.119 13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.312 -9.699 12.856 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.103 -9.627 15.358 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.153 -11.046 14.858 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.949 -10.369 16.491 1.00 0.00 H new ATOM 608 N THR A 35 0.962 -12.218 15.669 1.00 0.00 N ATOM 609 CA THR A 35 2.107 -13.109 15.527 1.00 0.00 C ATOM 610 C THR A 35 2.729 -12.985 14.139 1.00 0.00 C ATOM 611 O THR A 35 2.215 -12.266 13.283 1.00 0.00 O ATOM 612 CB THR A 35 1.704 -14.575 15.776 1.00 0.00 C ATOM 613 OG1 THR A 35 2.862 -15.419 15.752 1.00 0.00 O ATOM 614 CG2 THR A 35 0.706 -15.048 14.729 1.00 0.00 C ATOM 0 H THR A 35 0.131 -12.518 15.159 1.00 0.00 H new ATOM 0 HA THR A 35 2.842 -12.811 16.275 1.00 0.00 H new ATOM 0 HB THR A 35 1.235 -14.634 16.758 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.593 -16.348 15.913 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.437 -16.086 14.926 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.188 -14.426 14.772 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.154 -14.971 13.738 1.00 0.00 H new ATOM 622 N ARG A 36 3.836 -13.690 13.923 1.00 0.00 N ATOM 623 CA ARG A 36 4.528 -13.656 12.638 1.00 0.00 C ATOM 624 C ARG A 36 3.614 -14.105 11.503 1.00 0.00 C ATOM 625 O ARG A 36 3.732 -13.628 10.375 1.00 0.00 O ATOM 626 CB ARG A 36 5.776 -14.539 12.681 1.00 0.00 C ATOM 627 CG ARG A 36 6.882 -13.986 13.565 1.00 0.00 C ATOM 628 CD ARG A 36 8.101 -14.893 13.559 1.00 0.00 C ATOM 629 NE ARG A 36 7.831 -16.171 14.212 1.00 0.00 N ATOM 630 CZ ARG A 36 8.781 -16.985 14.664 1.00 0.00 C ATOM 631 NH1 ARG A 36 10.060 -16.661 14.522 1.00 0.00 N ATOM 632 NH2 ARG A 36 8.452 -18.126 15.254 1.00 0.00 N ATOM 0 H ARG A 36 4.273 -14.292 14.621 1.00 0.00 H new ATOM 0 HA ARG A 36 4.825 -12.624 12.449 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.498 -15.530 13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.159 -14.662 11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.164 -12.992 13.218 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.514 -13.875 14.585 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.417 -15.070 12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.927 -14.394 14.065 1.00 0.00 H new ATOM 0 HE ARG A 36 6.858 -16.456 14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.317 -15.786 14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.786 -17.287 14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.470 -18.380 15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.181 -18.750 15.600 1.00 0.00 H new ATOM 646 N ASP A 37 2.703 -15.026 11.807 1.00 0.00 N ATOM 647 CA ASP A 37 1.768 -15.532 10.807 1.00 0.00 C ATOM 648 C ASP A 37 0.960 -14.393 10.200 1.00 0.00 C ATOM 649 O ASP A 37 0.740 -14.350 8.989 1.00 0.00 O ATOM 650 CB ASP A 37 0.825 -16.563 11.429 1.00 0.00 C ATOM 651 CG ASP A 37 1.568 -17.743 12.022 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.940 -17.673 13.214 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.780 -18.737 11.297 1.00 0.00 O ATOM 0 H ASP A 37 2.593 -15.436 12.735 1.00 0.00 H new ATOM 0 HA ASP A 37 2.346 -16.011 10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.230 -16.084 12.207 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.129 -16.920 10.669 1.00 0.00 H new ATOM 658 N ARG A 38 0.525 -13.469 11.050 1.00 0.00 N ATOM 659 CA ARG A 38 -0.257 -12.323 10.600 1.00 0.00 C ATOM 660 C ARG A 38 0.629 -11.294 9.905 1.00 0.00 C ATOM 661 O ARG A 38 0.323 -10.850 8.801 1.00 0.00 O ATOM 662 CB ARG A 38 -0.983 -11.677 11.780 1.00 0.00 C ATOM 663 CG ARG A 38 -2.404 -12.182 11.971 1.00 0.00 C ATOM 664 CD ARG A 38 -3.303 -11.764 10.817 1.00 0.00 C ATOM 665 NE ARG A 38 -4.698 -12.129 11.047 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.709 -11.670 10.317 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.483 -10.829 9.317 1.00 0.00 N ATOM 668 NH2 ARG A 38 -6.951 -12.050 10.589 1.00 0.00 N ATOM 0 H ARG A 38 0.701 -13.491 12.055 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.995 -12.681 9.882 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.415 -11.863 12.691 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.007 -10.597 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.397 -13.269 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.807 -11.794 12.907 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.230 -10.686 10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.953 -12.233 9.897 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.908 -12.772 11.810 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.530 -10.532 9.106 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.262 -10.479 8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.130 -12.695 11.359 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.727 -11.697 10.028 1.00 0.00 H new ATOM 682 N ARG A 39 1.725 -10.919 10.557 1.00 0.00 N ATOM 683 CA ARG A 39 2.653 -9.938 9.997 1.00 0.00 C ATOM 684 C ARG A 39 3.066 -10.322 8.580 1.00 0.00 C ATOM 685 O ARG A 39 3.324 -9.457 7.745 1.00 0.00 O ATOM 686 CB ARG A 39 3.900 -9.819 10.875 1.00 0.00 C ATOM 687 CG ARG A 39 3.602 -9.420 12.310 1.00 0.00 C ATOM 688 CD ARG A 39 4.869 -9.403 13.149 1.00 0.00 C ATOM 689 NE ARG A 39 4.587 -9.200 14.566 1.00 0.00 N ATOM 690 CZ ARG A 39 5.282 -9.772 15.543 1.00 0.00 C ATOM 691 NH1 ARG A 39 6.295 -10.579 15.258 1.00 0.00 N ATOM 692 NH2 ARG A 39 4.966 -9.538 16.809 1.00 0.00 N ATOM 0 H ARG A 39 1.994 -11.278 11.473 1.00 0.00 H new ATOM 0 HA ARG A 39 2.140 -8.977 9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.426 -10.774 10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.574 -9.084 10.435 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.138 -8.434 12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.885 -10.118 12.743 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.403 -10.344 13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.528 -8.610 12.794 1.00 0.00 H new ATOM 0 HE ARG A 39 3.814 -8.585 14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.543 -10.762 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.826 -11.016 16.011 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.188 -8.918 17.034 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.501 -9.978 17.558 1.00 0.00 H new ATOM 706 N TYR A 40 3.121 -11.623 8.317 1.00 0.00 N ATOM 707 CA TYR A 40 3.519 -12.127 7.006 1.00 0.00 C ATOM 708 C TYR A 40 2.437 -11.885 5.957 1.00 0.00 C ATOM 709 O TYR A 40 2.675 -11.216 4.951 1.00 0.00 O ATOM 710 CB TYR A 40 3.831 -13.621 7.094 1.00 0.00 C ATOM 711 CG TYR A 40 4.390 -14.208 5.815 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.610 -13.778 5.305 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.700 -15.193 5.120 1.00 0.00 C ATOM 714 CE1 TYR A 40 6.125 -14.314 4.139 1.00 0.00 C ATOM 715 CE2 TYR A 40 4.207 -15.734 3.954 1.00 0.00 C ATOM 716 CZ TYR A 40 5.419 -15.291 3.467 1.00 0.00 C ATOM 717 OH TYR A 40 5.929 -15.828 2.307 1.00 0.00 O ATOM 0 H TYR A 40 2.895 -12.350 8.996 1.00 0.00 H new ATOM 0 HA TYR A 40 4.412 -11.583 6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.546 -13.786 7.900 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.920 -14.157 7.360 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.164 -13.013 5.828 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.750 -15.542 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.075 -13.970 3.756 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.657 -16.500 3.427 1.00 0.00 H new ATOM 0 HH TYR A 40 5.310 -16.504 1.960 1.00 0.00 H new ATOM 727 N GLU A 41 1.251 -12.432 6.197 1.00 0.00 N ATOM 728 CA GLU A 41 0.138 -12.291 5.262 1.00 0.00 C ATOM 729 C GLU A 41 -0.197 -10.823 4.997 1.00 0.00 C ATOM 730 O GLU A 41 -0.426 -10.429 3.852 1.00 0.00 O ATOM 731 CB GLU A 41 -1.093 -13.033 5.788 1.00 0.00 C ATOM 732 CG GLU A 41 -1.604 -12.511 7.119 1.00 0.00 C ATOM 733 CD GLU A 41 -2.856 -13.229 7.583 1.00 0.00 C ATOM 734 OE1 GLU A 41 -3.965 -12.779 7.227 1.00 0.00 O ATOM 735 OE2 GLU A 41 -2.728 -14.244 8.301 1.00 0.00 O ATOM 0 H GLU A 41 1.034 -12.978 7.031 1.00 0.00 H new ATOM 0 HA GLU A 41 0.444 -12.734 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.892 -12.961 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.850 -14.091 5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.825 -12.623 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.812 -11.445 7.032 1.00 0.00 H new ATOM 742 N VAL A 42 -0.224 -10.015 6.054 1.00 0.00 N ATOM 743 CA VAL A 42 -0.535 -8.594 5.919 1.00 0.00 C ATOM 744 C VAL A 42 0.590 -7.846 5.210 1.00 0.00 C ATOM 745 O VAL A 42 0.376 -6.770 4.654 1.00 0.00 O ATOM 746 CB VAL A 42 -0.795 -7.935 7.290 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.851 -8.710 8.063 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.494 -7.827 8.092 1.00 0.00 C ATOM 0 H VAL A 42 -0.035 -10.318 7.010 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.443 -8.530 5.320 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.169 -6.926 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.021 -8.231 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.781 -8.723 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.508 -9.733 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.286 -7.359 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.906 -8.823 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.215 -7.221 7.543 1.00 0.00 H new ATOM 758 N ALA A 43 1.787 -8.423 5.233 1.00 0.00 N ATOM 759 CA ALA A 43 2.942 -7.808 4.591 1.00 0.00 C ATOM 760 C ALA A 43 2.952 -8.105 3.098 1.00 0.00 C ATOM 761 O ALA A 43 3.501 -7.342 2.304 1.00 0.00 O ATOM 762 CB ALA A 43 4.229 -8.297 5.236 1.00 0.00 C ATOM 0 H ALA A 43 1.982 -9.314 5.689 1.00 0.00 H new ATOM 0 HA ALA A 43 2.872 -6.728 4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.082 -7.829 4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.229 -8.034 6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.300 -9.380 5.132 1.00 0.00 H new ATOM 768 N ARG A 44 2.340 -9.221 2.722 1.00 0.00 N ATOM 769 CA ARG A 44 2.274 -9.623 1.328 1.00 0.00 C ATOM 770 C ARG A 44 1.286 -8.755 0.559 1.00 0.00 C ATOM 771 O ARG A 44 1.495 -8.449 -0.615 1.00 0.00 O ATOM 772 CB ARG A 44 1.871 -11.091 1.230 1.00 0.00 C ATOM 773 CG ARG A 44 2.977 -12.055 1.627 1.00 0.00 C ATOM 774 CD ARG A 44 2.558 -13.498 1.409 1.00 0.00 C ATOM 775 NE ARG A 44 2.163 -13.751 0.026 1.00 0.00 N ATOM 776 CZ ARG A 44 1.539 -14.854 -0.374 1.00 0.00 C ATOM 777 NH1 ARG A 44 1.237 -15.803 0.502 1.00 0.00 N ATOM 778 NH2 ARG A 44 1.213 -15.006 -1.651 1.00 0.00 N ATOM 0 H ARG A 44 1.882 -9.864 3.368 1.00 0.00 H new ATOM 0 HA ARG A 44 3.260 -9.491 0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.004 -11.264 1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.563 -11.307 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.873 -11.843 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.235 -11.904 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.382 -14.159 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.728 -13.738 2.073 1.00 0.00 H new ATOM 0 HE ARG A 44 2.378 -13.040 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.484 -15.687 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.758 -16.649 0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.441 -14.276 -2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.734 -15.853 -1.958 1.00 0.00 H new ATOM 792 N VAL A 45 0.208 -8.362 1.230 1.00 0.00 N ATOM 793 CA VAL A 45 -0.814 -7.526 0.612 1.00 0.00 C ATOM 794 C VAL A 45 -0.415 -6.056 0.654 1.00 0.00 C ATOM 795 O VAL A 45 -0.847 -5.259 -0.178 1.00 0.00 O ATOM 796 CB VAL A 45 -2.180 -7.701 1.307 1.00 0.00 C ATOM 797 CG1 VAL A 45 -2.515 -9.174 1.454 1.00 0.00 C ATOM 798 CG2 VAL A 45 -2.193 -7.009 2.663 1.00 0.00 C ATOM 0 H VAL A 45 0.020 -8.609 2.202 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.903 -7.846 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.942 -7.234 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.482 -9.280 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.557 -9.638 0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.747 -9.664 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.167 -7.147 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.419 -7.440 3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.002 -5.944 2.530 1.00 0.00 H new ATOM 808 N LEU A 46 0.414 -5.707 1.635 1.00 0.00 N ATOM 809 CA LEU A 46 0.875 -4.335 1.796 1.00 0.00 C ATOM 810 C LEU A 46 2.219 -4.130 1.105 1.00 0.00 C ATOM 811 O LEU A 46 2.740 -3.015 1.059 1.00 0.00 O ATOM 812 CB LEU A 46 0.983 -3.985 3.285 1.00 0.00 C ATOM 813 CG LEU A 46 -0.351 -3.840 4.017 1.00 0.00 C ATOM 814 CD1 LEU A 46 -0.116 -3.441 5.466 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.232 -2.818 3.313 1.00 0.00 C ATOM 0 H LEU A 46 0.779 -6.358 2.330 1.00 0.00 H new ATOM 0 HA LEU A 46 0.147 -3.671 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.570 -4.757 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.537 -3.051 3.383 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.865 -4.801 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.074 -3.341 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.481 -4.206 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.414 -2.489 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.179 -2.725 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.728 -1.852 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.421 -3.144 2.290 1.00 0.00 H new ATOM 827 N ASN A 47 2.771 -5.216 0.567 1.00 0.00 N ATOM 828 CA ASN A 47 4.051 -5.166 -0.131 1.00 0.00 C ATOM 829 C ASN A 47 5.156 -4.663 0.791 1.00 0.00 C ATOM 830 O ASN A 47 6.098 -4.004 0.352 1.00 0.00 O ATOM 831 CB ASN A 47 3.945 -4.271 -1.368 1.00 0.00 C ATOM 832 CG ASN A 47 2.901 -4.767 -2.351 1.00 0.00 C ATOM 833 OD1 ASN A 47 1.901 -5.369 -1.963 1.00 0.00 O ATOM 834 ND2 ASN A 47 3.130 -4.515 -3.634 1.00 0.00 N ATOM 0 H ASN A 47 2.349 -6.144 0.602 1.00 0.00 H new ATOM 0 HA ASN A 47 4.306 -6.178 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.696 -3.256 -1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.914 -4.224 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.463 -4.824 -4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.973 -4.012 -3.912 1.00 0.00 H new ATOM 841 N LEU A 48 5.035 -4.991 2.072 1.00 0.00 N ATOM 842 CA LEU A 48 6.017 -4.577 3.069 1.00 0.00 C ATOM 843 C LEU A 48 6.701 -5.790 3.691 1.00 0.00 C ATOM 844 O LEU A 48 6.408 -6.930 3.335 1.00 0.00 O ATOM 845 CB LEU A 48 5.343 -3.745 4.163 1.00 0.00 C ATOM 846 CG LEU A 48 4.414 -2.636 3.660 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.885 -1.820 4.828 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.132 -1.738 2.662 1.00 0.00 C ATOM 0 H LEU A 48 4.264 -5.544 2.446 1.00 0.00 H new ATOM 0 HA LEU A 48 6.772 -3.969 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.770 -4.414 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.118 -3.294 4.784 1.00 0.00 H new ATOM 0 HG LEU A 48 3.570 -3.101 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.226 -1.036 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.329 -2.470 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.720 -1.368 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.452 -0.958 2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.997 -1.280 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.462 -2.332 1.810 1.00 0.00 H new ATOM 860 N THR A 49 7.624 -5.533 4.614 1.00 0.00 N ATOM 861 CA THR A 49 8.347 -6.603 5.292 1.00 0.00 C ATOM 862 C THR A 49 7.720 -6.902 6.653 1.00 0.00 C ATOM 863 O THR A 49 7.154 -6.014 7.290 1.00 0.00 O ATOM 864 CB THR A 49 9.832 -6.240 5.489 1.00 0.00 C ATOM 865 OG1 THR A 49 10.392 -5.790 4.250 1.00 0.00 O ATOM 866 CG2 THR A 49 10.622 -7.438 5.997 1.00 0.00 C ATOM 0 H THR A 49 7.888 -4.593 4.909 1.00 0.00 H new ATOM 0 HA THR A 49 8.281 -7.488 4.659 1.00 0.00 H new ATOM 0 HB THR A 49 9.892 -5.443 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.335 -5.559 4.382 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.667 -7.156 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.212 -7.765 6.952 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.554 -8.252 5.275 1.00 0.00 H new ATOM 874 N GLU A 50 7.822 -8.155 7.089 1.00 0.00 N ATOM 875 CA GLU A 50 7.263 -8.571 8.373 1.00 0.00 C ATOM 876 C GLU A 50 7.786 -7.697 9.508 1.00 0.00 C ATOM 877 O GLU A 50 7.077 -7.428 10.478 1.00 0.00 O ATOM 878 CB GLU A 50 7.608 -10.035 8.650 1.00 0.00 C ATOM 879 CG GLU A 50 7.188 -10.983 7.540 1.00 0.00 C ATOM 880 CD GLU A 50 7.576 -12.420 7.826 1.00 0.00 C ATOM 881 OE1 GLU A 50 6.773 -13.138 8.457 1.00 0.00 O ATOM 882 OE2 GLU A 50 8.686 -12.826 7.421 1.00 0.00 O ATOM 0 H GLU A 50 8.287 -8.901 6.572 1.00 0.00 H new ATOM 0 HA GLU A 50 6.180 -8.458 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.684 -10.123 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.128 -10.342 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.108 -10.922 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.646 -10.666 6.603 1.00 0.00 H new ATOM 889 N ARG A 51 9.034 -7.264 9.378 1.00 0.00 N ATOM 890 CA ARG A 51 9.666 -6.421 10.388 1.00 0.00 C ATOM 891 C ARG A 51 9.231 -4.970 10.249 1.00 0.00 C ATOM 892 O ARG A 51 8.769 -4.357 11.210 1.00 0.00 O ATOM 893 CB ARG A 51 11.189 -6.496 10.263 1.00 0.00 C ATOM 894 CG ARG A 51 11.756 -7.889 10.483 1.00 0.00 C ATOM 895 CD ARG A 51 11.647 -8.313 11.939 1.00 0.00 C ATOM 896 NE ARG A 51 12.110 -9.683 12.147 1.00 0.00 N ATOM 897 CZ ARG A 51 12.347 -10.206 13.345 1.00 0.00 C ATOM 898 NH1 ARG A 51 12.172 -9.476 14.438 1.00 0.00 N ATOM 899 NH2 ARG A 51 12.759 -11.463 13.452 1.00 0.00 N ATOM 0 H ARG A 51 9.631 -7.483 8.581 1.00 0.00 H new ATOM 0 HA ARG A 51 9.354 -6.791 11.365 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.480 -6.148 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.637 -5.813 10.985 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.223 -8.603 9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.801 -7.910 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.233 -7.634 12.559 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.610 -8.227 12.265 1.00 0.00 H new ATOM 0 HE ARG A 51 12.260 -10.271 11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.854 -8.510 14.361 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.355 -9.881 15.356 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.894 -12.029 12.614 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.941 -11.864 14.372 1.00 0.00 H new ATOM 913 N GLN A 52 9.389 -4.431 9.046 1.00 0.00 N ATOM 914 CA GLN A 52 9.039 -3.044 8.765 1.00 0.00 C ATOM 915 C GLN A 52 7.684 -2.665 9.357 1.00 0.00 C ATOM 916 O GLN A 52 7.567 -1.660 10.057 1.00 0.00 O ATOM 917 CB GLN A 52 9.036 -2.799 7.258 1.00 0.00 C ATOM 918 CG GLN A 52 8.920 -1.333 6.889 1.00 0.00 C ATOM 919 CD GLN A 52 10.063 -0.501 7.436 1.00 0.00 C ATOM 920 OE1 GLN A 52 11.191 -0.981 7.564 1.00 0.00 O ATOM 921 NE2 GLN A 52 9.777 0.751 7.771 1.00 0.00 N ATOM 0 H GLN A 52 9.761 -4.939 8.243 1.00 0.00 H new ATOM 0 HA GLN A 52 9.793 -2.414 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.953 -3.203 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.207 -3.346 6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.893 -1.237 5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.976 -0.941 7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.829 1.108 7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.505 1.356 8.151 1.00 0.00 H new ATOM 930 N VAL A 53 6.663 -3.471 9.077 1.00 0.00 N ATOM 931 CA VAL A 53 5.323 -3.199 9.586 1.00 0.00 C ATOM 932 C VAL A 53 5.283 -3.236 11.113 1.00 0.00 C ATOM 933 O VAL A 53 4.625 -2.410 11.744 1.00 0.00 O ATOM 934 CB VAL A 53 4.292 -4.198 9.022 1.00 0.00 C ATOM 935 CG1 VAL A 53 4.669 -5.624 9.390 1.00 0.00 C ATOM 936 CG2 VAL A 53 2.895 -3.861 9.521 1.00 0.00 C ATOM 0 H VAL A 53 6.737 -4.312 8.504 1.00 0.00 H new ATOM 0 HA VAL A 53 5.061 -2.195 9.253 1.00 0.00 H new ATOM 0 HB VAL A 53 4.294 -4.118 7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.929 -6.313 8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.650 -5.859 8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.699 -5.724 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.181 -4.576 9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.876 -3.910 10.610 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.626 -2.855 9.198 1.00 0.00 H new ATOM 946 N LYS A 54 5.996 -4.192 11.705 1.00 0.00 N ATOM 947 CA LYS A 54 6.030 -4.333 13.158 1.00 0.00 C ATOM 948 C LYS A 54 6.689 -3.123 13.810 1.00 0.00 C ATOM 949 O LYS A 54 6.057 -2.401 14.582 1.00 0.00 O ATOM 950 CB LYS A 54 6.782 -5.607 13.551 1.00 0.00 C ATOM 951 CG LYS A 54 6.615 -5.986 15.014 1.00 0.00 C ATOM 952 CD LYS A 54 7.560 -7.108 15.417 1.00 0.00 C ATOM 953 CE LYS A 54 9.004 -6.630 15.472 1.00 0.00 C ATOM 954 NZ LYS A 54 9.928 -7.698 15.948 1.00 0.00 N ATOM 0 H LYS A 54 6.557 -4.879 11.201 1.00 0.00 H new ATOM 0 HA LYS A 54 5.001 -4.399 13.513 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.433 -6.431 12.929 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.843 -5.473 13.338 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.800 -5.113 15.639 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.585 -6.295 15.194 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.268 -7.498 16.392 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.475 -7.930 14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.314 -6.298 14.481 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.075 -5.767 16.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.901 -7.331 15.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.649 -7.998 16.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.880 -8.512 15.302 1.00 0.00 H new ATOM 968 N ILE A 55 7.962 -2.908 13.491 1.00 0.00 N ATOM 969 CA ILE A 55 8.718 -1.790 14.043 1.00 0.00 C ATOM 970 C ILE A 55 7.993 -0.463 13.821 1.00 0.00 C ATOM 971 O ILE A 55 8.102 0.456 14.635 1.00 0.00 O ATOM 972 CB ILE A 55 10.127 -1.708 13.421 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.864 -3.038 13.605 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.915 -0.564 14.041 1.00 0.00 C ATOM 975 CD1 ILE A 55 12.215 -3.086 12.921 1.00 0.00 C ATOM 0 H ILE A 55 8.493 -3.497 12.850 1.00 0.00 H new ATOM 0 HA ILE A 55 8.810 -1.969 15.114 1.00 0.00 H new ATOM 0 HB ILE A 55 10.029 -1.514 12.353 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.999 -3.224 14.670 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.242 -3.845 13.217 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.907 -0.520 13.591 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.393 0.376 13.862 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.010 -0.728 15.114 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.677 -4.058 13.095 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.086 -2.933 11.850 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.856 -2.302 13.325 1.00 0.00 H new ATOM 987 N TRP A 56 7.256 -0.369 12.719 1.00 0.00 N ATOM 988 CA TRP A 56 6.516 0.848 12.398 1.00 0.00 C ATOM 989 C TRP A 56 5.489 1.162 13.483 1.00 0.00 C ATOM 990 O TRP A 56 5.376 2.304 13.929 1.00 0.00 O ATOM 991 CB TRP A 56 5.818 0.710 11.044 1.00 0.00 C ATOM 992 CG TRP A 56 5.180 1.982 10.575 1.00 0.00 C ATOM 993 CD1 TRP A 56 3.885 2.372 10.773 1.00 0.00 C ATOM 994 CD2 TRP A 56 5.806 3.034 9.832 1.00 0.00 C ATOM 995 NE1 TRP A 56 3.671 3.602 10.199 1.00 0.00 N ATOM 996 CE2 TRP A 56 4.834 4.029 9.615 1.00 0.00 C ATOM 997 CE3 TRP A 56 7.095 3.233 9.329 1.00 0.00 C ATOM 998 CZ2 TRP A 56 5.111 5.203 8.917 1.00 0.00 C ATOM 999 CZ3 TRP A 56 7.368 4.396 8.636 1.00 0.00 C ATOM 1000 CH2 TRP A 56 6.380 5.369 8.437 1.00 0.00 C ATOM 0 H TRP A 56 7.155 -1.118 12.034 1.00 0.00 H new ATOM 0 HA TRP A 56 7.229 1.671 12.346 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.544 0.380 10.301 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.056 -0.067 11.113 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.139 1.798 11.303 1.00 0.00 H new ATOM 0 HE1 TRP A 56 2.789 4.114 10.207 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.864 2.490 9.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 4.351 5.954 8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 8.360 4.558 8.241 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.626 6.269 7.893 1.00 0.00 H new ATOM 1011 N PHE A 57 4.742 0.144 13.900 1.00 0.00 N ATOM 1012 CA PHE A 57 3.726 0.317 14.935 1.00 0.00 C ATOM 1013 C PHE A 57 4.367 0.455 16.312 1.00 0.00 C ATOM 1014 O PHE A 57 3.851 1.166 17.175 1.00 0.00 O ATOM 1015 CB PHE A 57 2.744 -0.857 14.927 1.00 0.00 C ATOM 1016 CG PHE A 57 1.671 -0.738 13.880 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.553 0.048 14.105 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.783 -1.409 12.673 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.435 0.162 13.145 1.00 0.00 C ATOM 1020 CE2 PHE A 57 0.798 -1.299 11.710 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.312 -0.512 11.947 1.00 0.00 C ATOM 0 H PHE A 57 4.820 -0.807 13.539 1.00 0.00 H new ATOM 0 HA PHE A 57 3.179 1.234 14.717 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.298 -1.782 14.764 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.275 -0.934 15.908 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.452 0.578 15.041 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.650 -2.025 12.483 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.302 0.778 13.332 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.896 -1.828 10.773 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.083 -0.424 11.196 1.00 0.00 H new ATOM 1031 N GLN A 58 5.491 -0.228 16.513 1.00 0.00 N ATOM 1032 CA GLN A 58 6.203 -0.171 17.788 1.00 0.00 C ATOM 1033 C GLN A 58 6.516 1.272 18.174 1.00 0.00 C ATOM 1034 O GLN A 58 6.111 1.745 19.236 1.00 0.00 O ATOM 1035 CB GLN A 58 7.500 -0.980 17.714 1.00 0.00 C ATOM 1036 CG GLN A 58 7.284 -2.476 17.556 1.00 0.00 C ATOM 1037 CD GLN A 58 6.536 -3.086 18.724 1.00 0.00 C ATOM 1038 OE1 GLN A 58 6.625 -2.605 19.852 1.00 0.00 O ATOM 1039 NE2 GLN A 58 5.795 -4.155 18.458 1.00 0.00 N ATOM 0 H GLN A 58 5.928 -0.826 15.812 1.00 0.00 H new ATOM 0 HA GLN A 58 5.556 -0.603 18.552 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.095 -0.618 16.876 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.081 -0.800 18.618 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.729 -2.664 16.637 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.250 -2.969 17.451 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.750 -4.521 17.507 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.271 -4.611 19.205 1.00 0.00 H new ATOM 1048 N ASN A 59 7.240 1.966 17.300 1.00 0.00 N ATOM 1049 CA ASN A 59 7.611 3.357 17.544 1.00 0.00 C ATOM 1050 C ASN A 59 6.379 4.254 17.580 1.00 0.00 C ATOM 1051 O ASN A 59 6.270 5.140 18.426 1.00 0.00 O ATOM 1052 CB ASN A 59 8.574 3.844 16.460 1.00 0.00 C ATOM 1053 CG ASN A 59 9.969 3.273 16.623 1.00 0.00 C ATOM 1054 OD1 ASN A 59 10.813 3.853 17.307 1.00 0.00 O ATOM 1055 ND2 ASN A 59 10.220 2.132 15.992 1.00 0.00 N ATOM 0 H ASN A 59 7.581 1.588 16.416 1.00 0.00 H new ATOM 0 HA ASN A 59 8.104 3.409 18.515 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.184 3.567 15.481 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.625 4.932 16.486 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.142 1.702 16.063 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.491 1.686 15.436 1.00 0.00 H new ATOM 1062 N ARG A 60 5.456 4.015 16.654 1.00 0.00 N ATOM 1063 CA ARG A 60 4.223 4.795 16.567 1.00 0.00 C ATOM 1064 C ARG A 60 3.503 4.842 17.914 1.00 0.00 C ATOM 1065 O ARG A 60 2.737 5.767 18.188 1.00 0.00 O ATOM 1066 CB ARG A 60 3.297 4.197 15.503 1.00 0.00 C ATOM 1067 CG ARG A 60 1.997 4.964 15.314 1.00 0.00 C ATOM 1068 CD ARG A 60 2.239 6.333 14.698 1.00 0.00 C ATOM 1069 NE ARG A 60 2.911 6.238 13.405 1.00 0.00 N ATOM 1070 CZ ARG A 60 2.655 7.043 12.377 1.00 0.00 C ATOM 1071 NH1 ARG A 60 1.752 8.009 12.495 1.00 0.00 N ATOM 1072 NH2 ARG A 60 3.305 6.885 11.233 1.00 0.00 N ATOM 0 H ARG A 60 5.538 3.283 15.948 1.00 0.00 H new ATOM 0 HA ARG A 60 4.488 5.814 16.286 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.828 4.162 14.552 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.064 3.168 15.776 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.325 4.391 14.675 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.499 5.080 16.277 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.287 6.849 14.575 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.842 6.935 15.377 1.00 0.00 H new ATOM 0 HE ARG A 60 3.618 5.513 13.283 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.253 8.135 13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.558 8.625 11.705 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.002 6.146 11.140 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.108 7.502 10.445 1.00 0.00 H new ATOM 1086 N ARG A 61 3.755 3.841 18.750 1.00 0.00 N ATOM 1087 CA ARG A 61 3.132 3.763 20.066 1.00 0.00 C ATOM 1088 C ARG A 61 3.886 4.620 21.081 1.00 0.00 C ATOM 1089 O ARG A 61 3.287 5.426 21.793 1.00 0.00 O ATOM 1090 CB ARG A 61 3.090 2.307 20.540 1.00 0.00 C ATOM 1091 CG ARG A 61 2.417 2.114 21.891 1.00 0.00 C ATOM 1092 CD ARG A 61 0.904 2.247 21.792 1.00 0.00 C ATOM 1093 NE ARG A 61 0.485 3.628 21.577 1.00 0.00 N ATOM 1094 CZ ARG A 61 -0.723 3.973 21.141 1.00 0.00 C ATOM 1095 NH1 ARG A 61 -1.628 3.041 20.873 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -1.027 5.253 20.974 1.00 0.00 N ATOM 0 H ARG A 61 4.388 3.070 18.539 1.00 0.00 H new ATOM 0 HA ARG A 61 2.115 4.146 19.985 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.565 1.709 19.796 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.109 1.924 20.596 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.670 1.130 22.286 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.801 2.850 22.597 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.539 1.627 20.973 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.447 1.869 22.706 1.00 0.00 H new ATOM 0 HE ARG A 61 1.156 4.371 21.772 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.398 2.055 21.001 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.553 3.310 20.539 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.334 5.973 21.180 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.954 5.518 20.640 1.00 0.00 H new ATOM 1110 N MET A 62 5.203 4.442 21.137 1.00 0.00 N ATOM 1111 CA MET A 62 6.044 5.185 22.071 1.00 0.00 C ATOM 1112 C MET A 62 5.928 6.692 21.861 1.00 0.00 C ATOM 1113 O MET A 62 5.805 7.451 22.823 1.00 0.00 O ATOM 1114 CB MET A 62 7.504 4.755 21.923 1.00 0.00 C ATOM 1115 CG MET A 62 7.685 3.256 21.760 1.00 0.00 C ATOM 1116 SD MET A 62 9.419 2.759 21.769 1.00 0.00 S ATOM 1117 CE MET A 62 9.872 3.132 23.462 1.00 0.00 C ATOM 0 H MET A 62 5.713 3.787 20.544 1.00 0.00 H new ATOM 0 HA MET A 62 5.695 4.957 23.078 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.937 5.260 21.060 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.062 5.086 22.799 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.160 2.741 22.564 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.225 2.938 20.824 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.385 2.275 23.899 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.534 3.998 23.479 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.974 3.350 24.039 1.00 0.00 H new ATOM 1127 N LYS A 63 5.975 7.123 20.604 1.00 0.00 N ATOM 1128 CA LYS A 63 5.885 8.545 20.282 1.00 0.00 C ATOM 1129 C LYS A 63 4.588 9.149 20.813 1.00 0.00 C ATOM 1130 O LYS A 63 4.569 10.291 21.273 1.00 0.00 O ATOM 1131 CB LYS A 63 5.990 8.761 18.771 1.00 0.00 C ATOM 1132 CG LYS A 63 4.889 8.076 17.977 1.00 0.00 C ATOM 1133 CD LYS A 63 4.995 8.382 16.490 1.00 0.00 C ATOM 1134 CE LYS A 63 4.744 9.853 16.197 1.00 0.00 C ATOM 1135 NZ LYS A 63 4.813 10.146 14.739 1.00 0.00 N ATOM 0 H LYS A 63 6.074 6.511 19.794 1.00 0.00 H new ATOM 0 HA LYS A 63 6.719 9.051 20.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.964 9.831 18.563 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.957 8.393 18.427 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.945 6.999 18.132 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.917 8.401 18.347 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.986 8.104 16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.275 7.774 15.942 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.764 10.138 16.579 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.480 10.459 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.637 11.158 14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.757 9.898 14.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.094 9.586 14.238 1.00 0.00 H new