USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 384 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 27:sc= 0.827 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -110:sc= -0.078 (180deg=-1.99!) USER MOD Single : A 53 GLN : amide:sc= -4.16 K(o=-4.2,f=-5!) USER MOD Single : A 55 ASN : amide:sc= -4.5! C(o=-4.5!,f=-8.1!) USER MOD Single : A 58 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.8) USER MOD Single : A 61 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 62 MET CE :methyl -175:sc= -11! (180deg=-11.5!) USER MOD Single : A 63 SER OG : rot -65:sc= 0.455 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 63:sc= 1.05 USER MOD Single : A 84 THR OG1 : rot 157:sc= 0.429 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 5.986 -4.713 -3.029 1.00 0.00 N ATOM 16 CA VAL A 2 5.514 -5.527 -4.136 1.00 0.00 C ATOM 17 C VAL A 2 5.529 -4.694 -5.419 1.00 0.00 C ATOM 18 O VAL A 2 5.134 -3.529 -5.412 1.00 0.00 O ATOM 19 CB VAL A 2 4.132 -6.100 -3.812 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.605 -6.947 -4.972 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.165 -6.908 -2.513 1.00 0.00 C ATOM 0 HA VAL A 2 6.176 -6.378 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 2 3.447 -5.264 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.622 -7.342 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.527 -6.330 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.291 -7.773 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.171 -7.304 -2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.870 -7.733 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.477 -6.263 -1.691 1.00 0.00 H new ATOM 31 N THR A 3 5.989 -5.324 -6.490 1.00 0.00 N ATOM 32 CA THR A 3 6.062 -4.656 -7.778 1.00 0.00 C ATOM 33 C THR A 3 5.302 -5.457 -8.838 1.00 0.00 C ATOM 34 O THR A 3 5.821 -6.436 -9.371 1.00 0.00 O ATOM 35 CB THR A 3 7.538 -4.444 -8.119 1.00 0.00 C ATOM 36 OG1 THR A 3 7.981 -3.484 -7.164 1.00 0.00 O ATOM 37 CG2 THR A 3 7.734 -3.747 -9.466 1.00 0.00 C ATOM 0 H THR A 3 6.315 -6.290 -6.492 1.00 0.00 H new ATOM 0 HA THR A 3 5.579 -3.680 -7.745 1.00 0.00 H new ATOM 0 HB THR A 3 8.049 -5.407 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.930 -3.289 -7.312 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.799 -3.621 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.291 -4.352 -10.257 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.252 -2.770 -9.444 1.00 0.00 H new ATOM 201 N ILE A 14 -8.741 0.356 -2.591 1.00 0.00 N ATOM 202 CA ILE A 14 -7.919 0.074 -1.426 1.00 0.00 C ATOM 203 C ILE A 14 -8.156 1.153 -0.368 1.00 0.00 C ATOM 204 O ILE A 14 -8.837 2.144 -0.627 1.00 0.00 O ATOM 205 CB ILE A 14 -6.452 -0.080 -1.831 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.081 0.913 -2.936 1.00 0.00 C ATOM 207 CG2 ILE A 14 -6.141 -1.524 -2.229 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.988 2.336 -2.385 1.00 0.00 C ATOM 0 HA ILE A 14 -8.203 -0.879 -0.979 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.832 0.155 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.127 0.628 -3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.827 0.875 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.092 -1.605 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.341 -2.185 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.768 -1.812 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.723 3.021 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.950 2.626 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.224 2.376 -1.608 1.00 0.00 H new ATOM 219 N SER A 15 -7.579 0.924 0.804 1.00 0.00 N ATOM 220 CA SER A 15 -7.719 1.865 1.902 1.00 0.00 C ATOM 221 C SER A 15 -6.600 1.647 2.922 1.00 0.00 C ATOM 222 O SER A 15 -6.082 0.539 3.053 1.00 0.00 O ATOM 223 CB SER A 15 -9.086 1.725 2.576 1.00 0.00 C ATOM 224 OG SER A 15 -9.126 0.622 3.478 1.00 0.00 O ATOM 0 H SER A 15 -7.014 0.101 1.016 1.00 0.00 H new ATOM 0 HA SER A 15 -7.644 2.875 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.320 2.643 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.855 1.598 1.814 1.00 0.00 H new ATOM 0 HG SER A 15 -10.014 0.568 3.889 1.00 0.00 H new ATOM 229 N ILE A 16 -6.261 2.722 3.619 1.00 0.00 N ATOM 230 CA ILE A 16 -5.212 2.663 4.623 1.00 0.00 C ATOM 231 C ILE A 16 -5.835 2.801 6.014 1.00 0.00 C ATOM 232 O ILE A 16 -7.043 3.000 6.140 1.00 0.00 O ATOM 233 CB ILE A 16 -4.129 3.702 4.329 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.715 5.115 4.309 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.389 3.370 3.031 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.047 5.999 5.364 1.00 0.00 C ATOM 0 H ILE A 16 -6.694 3.639 3.508 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.710 1.696 4.592 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.396 3.669 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.579 5.555 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.788 5.070 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.624 4.124 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.919 2.391 3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.096 3.358 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.481 6.998 5.329 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.206 5.569 6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.978 6.061 5.163 1.00 0.00 H new ATOM 247 N VAL A 17 -4.983 2.691 7.022 1.00 0.00 N ATOM 248 CA VAL A 17 -5.436 2.801 8.400 1.00 0.00 C ATOM 249 C VAL A 17 -4.223 2.958 9.318 1.00 0.00 C ATOM 250 O VAL A 17 -3.083 2.805 8.881 1.00 0.00 O ATOM 251 CB VAL A 17 -6.308 1.597 8.761 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.526 0.291 8.620 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.884 1.742 10.172 1.00 0.00 C ATOM 0 H VAL A 17 -3.982 2.527 6.913 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.059 3.686 8.529 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.142 1.565 8.060 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.170 -0.549 8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.186 0.180 7.590 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.664 0.310 9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.500 0.873 10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.069 1.812 10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.494 2.644 10.225 1.00 0.00 H new ATOM 263 N GLY A 18 -4.509 3.263 10.576 1.00 0.00 N ATOM 264 CA GLY A 18 -3.457 3.442 11.561 1.00 0.00 C ATOM 265 C GLY A 18 -3.859 2.845 12.910 1.00 0.00 C ATOM 266 O GLY A 18 -4.693 1.942 12.969 1.00 0.00 O ATOM 0 H GLY A 18 -5.455 3.391 10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.540 2.969 11.209 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.242 4.504 11.679 1.00 0.00 H new ATOM 366 N GLY A 27 3.362 2.626 11.726 1.00 0.00 N ATOM 367 CA GLY A 27 3.331 2.783 10.282 1.00 0.00 C ATOM 368 C GLY A 27 1.966 2.388 9.716 1.00 0.00 C ATOM 369 O GLY A 27 1.506 1.266 9.920 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.551 3.818 10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.108 2.167 9.829 1.00 0.00 H new ATOM 373 N ILE A 28 1.355 3.334 9.017 1.00 0.00 N ATOM 374 CA ILE A 28 0.051 3.099 8.420 1.00 0.00 C ATOM 375 C ILE A 28 0.095 1.808 7.601 1.00 0.00 C ATOM 376 O ILE A 28 1.085 1.532 6.923 1.00 0.00 O ATOM 377 CB ILE A 28 -0.398 4.321 7.618 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.519 5.554 8.517 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.697 4.033 6.862 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.538 5.319 9.634 1.00 0.00 C ATOM 0 H ILE A 28 1.739 4.264 8.851 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.703 2.960 9.194 1.00 0.00 H new ATOM 0 HB ILE A 28 0.367 4.540 6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.453 5.790 8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.820 6.415 7.921 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.995 4.918 6.300 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.541 3.202 6.174 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.482 3.774 7.573 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.605 6.210 10.259 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.514 5.107 9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.222 4.472 10.243 1.00 0.00 H new ATOM 391 N TYR A 29 -0.988 1.051 7.690 1.00 0.00 N ATOM 392 CA TYR A 29 -1.086 -0.205 6.966 1.00 0.00 C ATOM 393 C TYR A 29 -2.415 -0.302 6.214 1.00 0.00 C ATOM 394 O TYR A 29 -3.447 0.145 6.711 1.00 0.00 O ATOM 395 CB TYR A 29 -1.030 -1.308 8.025 1.00 0.00 C ATOM 396 CG TYR A 29 -2.082 -1.167 9.126 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.907 -0.242 10.135 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.208 -1.965 9.110 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.897 -0.110 11.172 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.200 -1.833 10.147 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.995 -0.912 11.126 1.00 0.00 C ATOM 402 OH TYR A 29 -4.931 -0.787 12.104 1.00 0.00 O ATOM 0 H TYR A 29 -1.806 1.283 8.253 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.284 -0.289 6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.158 -2.274 7.536 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.040 -1.310 8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.027 0.383 10.147 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.346 -2.689 8.320 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.771 0.609 11.968 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.086 -2.451 10.147 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.908 0.124 12.464 1.00 0.00 H new ATOM 411 N ILE A 30 -2.345 -0.891 5.029 1.00 0.00 N ATOM 412 CA ILE A 30 -3.531 -1.052 4.204 1.00 0.00 C ATOM 413 C ILE A 30 -4.665 -1.628 5.055 1.00 0.00 C ATOM 414 O ILE A 30 -4.517 -2.693 5.655 1.00 0.00 O ATOM 415 CB ILE A 30 -3.209 -1.887 2.963 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.124 -1.507 1.795 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.270 -3.383 3.276 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.752 -0.135 1.231 1.00 0.00 C ATOM 0 H ILE A 30 -1.487 -1.262 4.621 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.871 -0.086 3.832 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.186 -1.665 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.049 -2.259 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.161 -1.498 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.037 -3.953 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.545 -3.622 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.271 -3.642 3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.417 0.110 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.852 0.619 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.722 -0.155 0.875 1.00 0.00 H new ATOM 429 N GLY A 31 -5.771 -0.900 5.080 1.00 0.00 N ATOM 430 CA GLY A 31 -6.929 -1.325 5.848 1.00 0.00 C ATOM 431 C GLY A 31 -7.414 -2.701 5.391 1.00 0.00 C ATOM 432 O GLY A 31 -7.738 -3.555 6.215 1.00 0.00 O ATOM 0 H GLY A 31 -5.890 -0.018 4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.675 -1.358 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.732 -0.596 5.735 1.00 0.00 H new ATOM 436 N SER A 32 -7.451 -2.875 4.078 1.00 0.00 N ATOM 437 CA SER A 32 -7.893 -4.134 3.500 1.00 0.00 C ATOM 438 C SER A 32 -7.812 -4.066 1.974 1.00 0.00 C ATOM 439 O SER A 32 -7.935 -2.991 1.389 1.00 0.00 O ATOM 440 CB SER A 32 -9.318 -4.472 3.941 1.00 0.00 C ATOM 441 OG SER A 32 -10.294 -3.932 3.055 1.00 0.00 O ATOM 0 H SER A 32 -7.182 -2.165 3.397 1.00 0.00 H new ATOM 0 HA SER A 32 -7.234 -4.925 3.858 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.434 -5.555 3.992 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.488 -4.086 4.946 1.00 0.00 H new ATOM 0 HG SER A 32 -11.190 -4.171 3.371 1.00 0.00 H new ATOM 446 N ILE A 33 -7.604 -5.228 1.373 1.00 0.00 N ATOM 447 CA ILE A 33 -7.504 -5.316 -0.074 1.00 0.00 C ATOM 448 C ILE A 33 -8.685 -6.126 -0.614 1.00 0.00 C ATOM 449 O ILE A 33 -8.888 -7.272 -0.217 1.00 0.00 O ATOM 450 CB ILE A 33 -6.138 -5.870 -0.485 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.009 -5.141 0.245 1.00 0.00 C ATOM 452 CG2 ILE A 33 -5.963 -5.824 -2.004 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.957 -5.548 1.719 1.00 0.00 C ATOM 0 H ILE A 33 -7.502 -6.117 1.862 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.566 -4.324 -0.521 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.090 -6.917 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.056 -5.368 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.156 -4.064 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.984 -6.223 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.740 -6.423 -2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.040 -4.793 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.146 -5.015 2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.903 -5.297 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.785 -6.622 1.794 1.00 0.00 H new ATOM 464 N MET A 34 -9.430 -5.498 -1.512 1.00 0.00 N ATOM 465 CA MET A 34 -10.584 -6.146 -2.110 1.00 0.00 C ATOM 466 C MET A 34 -10.163 -7.368 -2.930 1.00 0.00 C ATOM 467 O MET A 34 -9.977 -7.273 -4.142 1.00 0.00 O ATOM 468 CB MET A 34 -11.316 -5.153 -3.015 1.00 0.00 C ATOM 469 CG MET A 34 -12.094 -4.128 -2.187 1.00 0.00 C ATOM 470 SD MET A 34 -13.832 -4.215 -2.583 1.00 0.00 S ATOM 471 CE MET A 34 -14.027 -2.672 -3.461 1.00 0.00 C ATOM 0 H MET A 34 -9.257 -4.548 -1.840 1.00 0.00 H new ATOM 0 HA MET A 34 -11.245 -6.478 -1.310 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.597 -4.640 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.000 -5.690 -3.672 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.945 -4.318 -1.124 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.717 -3.125 -2.387 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.063 -2.565 -3.782 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.763 -1.843 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.374 -2.665 -4.334 1.00 0.00 H new ATOM 595 N ILE A 45 -2.837 -10.801 -0.215 1.00 0.00 N ATOM 596 CA ILE A 45 -2.344 -9.610 0.457 1.00 0.00 C ATOM 597 C ILE A 45 -3.011 -9.492 1.830 1.00 0.00 C ATOM 598 O ILE A 45 -4.053 -10.098 2.071 1.00 0.00 O ATOM 599 CB ILE A 45 -2.536 -8.377 -0.428 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.730 -8.500 -1.722 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.202 -7.096 0.338 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.249 -8.739 -1.423 1.00 0.00 C ATOM 0 HA ILE A 45 -1.270 -9.686 0.629 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.587 -8.318 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.121 -9.322 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.844 -7.591 -2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.347 -6.234 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.857 -7.009 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.164 -7.130 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.302 -8.823 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.145 -7.904 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.137 -9.661 -0.852 1.00 0.00 H new ATOM 613 N GLU A 46 -2.381 -8.708 2.692 1.00 0.00 N ATOM 614 CA GLU A 46 -2.899 -8.503 4.034 1.00 0.00 C ATOM 615 C GLU A 46 -3.020 -7.008 4.333 1.00 0.00 C ATOM 616 O GLU A 46 -2.448 -6.181 3.624 1.00 0.00 O ATOM 617 CB GLU A 46 -2.021 -9.201 5.074 1.00 0.00 C ATOM 618 CG GLU A 46 -2.252 -10.714 5.060 1.00 0.00 C ATOM 619 CD GLU A 46 -2.496 -11.245 6.474 1.00 0.00 C ATOM 620 OE1 GLU A 46 -1.798 -10.842 7.416 1.00 0.00 O ATOM 621 OE2 GLU A 46 -3.450 -12.107 6.577 1.00 0.00 O ATOM 0 H GLU A 46 -1.516 -8.207 2.487 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.893 -8.947 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.971 -8.988 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.241 -8.805 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.108 -10.949 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.387 -11.214 4.625 1.00 0.00 H new ATOM 627 N PRO A 47 -3.788 -6.698 5.413 1.00 0.00 N ATOM 628 CA PRO A 47 -3.990 -5.316 5.814 1.00 0.00 C ATOM 629 C PRO A 47 -2.742 -4.755 6.498 1.00 0.00 C ATOM 630 O PRO A 47 -2.424 -3.576 6.348 1.00 0.00 O ATOM 631 CB PRO A 47 -5.205 -5.347 6.729 1.00 0.00 C ATOM 632 CG PRO A 47 -5.355 -6.792 7.174 1.00 0.00 C ATOM 633 CD PRO A 47 -4.480 -7.650 6.276 1.00 0.00 C ATOM 0 HA PRO A 47 -4.161 -4.653 4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.066 -4.687 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.097 -5.005 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.057 -6.903 8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.396 -7.106 7.105 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.774 -8.241 6.859 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.078 -8.351 5.693 1.00 0.00 H new ATOM 638 N GLY A 48 -2.066 -5.627 7.234 1.00 0.00 N ATOM 639 CA GLY A 48 -0.860 -5.233 7.941 1.00 0.00 C ATOM 640 C GLY A 48 0.374 -5.387 7.048 1.00 0.00 C ATOM 641 O GLY A 48 1.492 -5.516 7.545 1.00 0.00 O ATOM 0 H GLY A 48 -2.331 -6.604 7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.949 -4.198 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.744 -5.843 8.837 1.00 0.00 H new ATOM 645 N ASP A 49 0.128 -5.368 5.747 1.00 0.00 N ATOM 646 CA ASP A 49 1.205 -5.504 4.780 1.00 0.00 C ATOM 647 C ASP A 49 2.138 -4.297 4.889 1.00 0.00 C ATOM 648 O ASP A 49 3.317 -4.387 4.554 1.00 0.00 O ATOM 649 CB ASP A 49 0.659 -5.555 3.352 1.00 0.00 C ATOM 650 CG ASP A 49 1.141 -6.742 2.516 1.00 0.00 C ATOM 651 OD1 ASP A 49 0.753 -7.894 2.762 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.959 -6.444 1.566 1.00 0.00 O ATOM 0 H ASP A 49 -0.801 -5.261 5.339 1.00 0.00 H new ATOM 0 HA ASP A 49 1.737 -6.431 4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.430 -5.580 3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.936 -4.633 2.840 1.00 0.00 H new ATOM 657 N MET A 50 1.572 -3.193 5.358 1.00 0.00 N ATOM 658 CA MET A 50 2.339 -1.969 5.515 1.00 0.00 C ATOM 659 C MET A 50 2.370 -1.171 4.211 1.00 0.00 C ATOM 660 O MET A 50 3.442 -0.833 3.710 1.00 0.00 O ATOM 661 CB MET A 50 3.768 -2.312 5.938 1.00 0.00 C ATOM 662 CG MET A 50 4.321 -1.262 6.905 1.00 0.00 C ATOM 663 SD MET A 50 4.141 -1.827 8.588 1.00 0.00 S ATOM 664 CE MET A 50 4.911 -0.470 9.455 1.00 0.00 C ATOM 0 H MET A 50 0.593 -3.121 5.634 1.00 0.00 H new ATOM 0 HA MET A 50 1.861 -1.359 6.281 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.785 -3.293 6.412 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.407 -2.373 5.057 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.372 -1.073 6.687 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.792 -0.318 6.771 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.859 -0.800 9.879 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.091 0.350 8.760 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.254 -0.130 10.256 1.00 0.00 H new ATOM 672 N LEU A 51 1.181 -0.892 3.696 1.00 0.00 N ATOM 673 CA LEU A 51 1.059 -0.140 2.459 1.00 0.00 C ATOM 674 C LEU A 51 1.021 1.356 2.777 1.00 0.00 C ATOM 675 O LEU A 51 -0.047 1.966 2.782 1.00 0.00 O ATOM 676 CB LEU A 51 -0.146 -0.628 1.651 1.00 0.00 C ATOM 677 CG LEU A 51 -0.116 -0.326 0.152 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.344 1.163 -0.112 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.183 -0.829 -0.482 1.00 0.00 C ATOM 0 H LEU A 51 0.294 -1.173 4.113 1.00 0.00 H new ATOM 0 HA LEU A 51 1.929 -0.309 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.233 -1.707 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.046 -0.181 2.073 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.936 -0.866 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.318 1.350 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.316 1.458 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.439 1.743 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.179 -0.602 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.033 -0.337 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.263 -1.907 -0.341 1.00 0.00 H new ATOM 690 N LEU A 52 2.199 1.903 3.037 1.00 0.00 N ATOM 691 CA LEU A 52 2.314 3.316 3.357 1.00 0.00 C ATOM 692 C LEU A 52 3.354 3.960 2.436 1.00 0.00 C ATOM 693 O LEU A 52 3.624 5.155 2.540 1.00 0.00 O ATOM 694 CB LEU A 52 2.609 3.506 4.846 1.00 0.00 C ATOM 695 CG LEU A 52 4.089 3.530 5.238 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.834 2.338 4.634 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.735 4.863 4.859 1.00 0.00 C ATOM 0 H LEU A 52 3.083 1.393 3.033 1.00 0.00 H new ATOM 0 HA LEU A 52 1.368 3.826 3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.152 4.441 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.120 2.704 5.399 1.00 0.00 H new ATOM 0 HG LEU A 52 4.158 3.437 6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.883 2.378 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.391 1.410 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.759 2.375 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.786 4.853 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.657 5.012 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.224 5.675 5.376 1.00 0.00 H new ATOM 708 N GLN A 53 3.907 3.138 1.555 1.00 0.00 N ATOM 709 CA GLN A 53 4.909 3.614 0.618 1.00 0.00 C ATOM 710 C GLN A 53 4.663 3.016 -0.770 1.00 0.00 C ATOM 711 O GLN A 53 4.108 1.925 -0.890 1.00 0.00 O ATOM 712 CB GLN A 53 6.320 3.288 1.112 1.00 0.00 C ATOM 713 CG GLN A 53 6.402 1.850 1.625 1.00 0.00 C ATOM 714 CD GLN A 53 7.361 1.746 2.814 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.565 2.686 3.564 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.937 0.554 2.942 1.00 0.00 N ATOM 0 H GLN A 53 3.680 2.147 1.471 1.00 0.00 H new ATOM 0 HA GLN A 53 4.826 4.698 0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.035 3.430 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.599 3.978 1.908 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.410 1.509 1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.738 1.193 0.823 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.722 -0.190 2.279 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.594 0.384 3.704 1.00 0.00 H new ATOM 723 N VAL A 54 5.090 3.757 -1.782 1.00 0.00 N ATOM 724 CA VAL A 54 4.923 3.314 -3.156 1.00 0.00 C ATOM 725 C VAL A 54 6.178 3.666 -3.957 1.00 0.00 C ATOM 726 O VAL A 54 6.928 4.565 -3.579 1.00 0.00 O ATOM 727 CB VAL A 54 3.648 3.916 -3.749 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.608 3.733 -5.267 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.402 3.317 -3.091 1.00 0.00 C ATOM 0 H VAL A 54 5.551 4.661 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 54 4.804 2.231 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 54 3.656 4.986 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.691 4.170 -5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.469 4.228 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.636 2.670 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.509 3.762 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.388 2.239 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.421 3.523 -2.021 1.00 0.00 H new ATOM 739 N ASN A 55 6.369 2.939 -5.048 1.00 0.00 N ATOM 740 CA ASN A 55 7.519 3.163 -5.905 1.00 0.00 C ATOM 741 C ASN A 55 8.745 3.458 -5.038 1.00 0.00 C ATOM 742 O ASN A 55 8.924 2.852 -3.983 1.00 0.00 O ATOM 743 CB ASN A 55 7.294 4.362 -6.828 1.00 0.00 C ATOM 744 CG ASN A 55 8.096 4.215 -8.123 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.245 4.612 -8.221 1.00 0.00 O ATOM 746 ND2 ASN A 55 7.427 3.624 -9.110 1.00 0.00 N ATOM 0 H ASN A 55 5.745 2.194 -5.358 1.00 0.00 H new ATOM 0 HA ASN A 55 7.669 2.267 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.233 4.452 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.587 5.279 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.875 3.480 -10.015 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.466 3.315 -8.961 1.00 0.00 H new ATOM 752 N ASP A 56 9.558 4.389 -5.516 1.00 0.00 N ATOM 753 CA ASP A 56 10.762 4.772 -4.798 1.00 0.00 C ATOM 754 C ASP A 56 10.397 5.766 -3.694 1.00 0.00 C ATOM 755 O ASP A 56 11.278 6.337 -3.052 1.00 0.00 O ATOM 756 CB ASP A 56 11.767 5.450 -5.731 1.00 0.00 C ATOM 757 CG ASP A 56 13.143 4.784 -5.791 1.00 0.00 C ATOM 758 OD1 ASP A 56 13.688 4.539 -6.879 1.00 0.00 O ATOM 759 OD2 ASP A 56 13.668 4.511 -4.645 1.00 0.00 O ATOM 0 H ASP A 56 9.406 4.889 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 56 11.209 3.869 -4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.347 5.474 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.894 6.485 -5.413 1.00 0.00 H new ATOM 764 N VAL A 57 9.098 5.943 -3.506 1.00 0.00 N ATOM 765 CA VAL A 57 8.606 6.858 -2.491 1.00 0.00 C ATOM 766 C VAL A 57 8.486 6.117 -1.157 1.00 0.00 C ATOM 767 O VAL A 57 8.424 4.889 -1.130 1.00 0.00 O ATOM 768 CB VAL A 57 7.288 7.487 -2.946 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.420 7.871 -1.746 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.540 8.694 -3.851 1.00 0.00 C ATOM 0 H VAL A 57 8.370 5.468 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 57 9.308 7.679 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 57 6.744 6.742 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.489 8.316 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.197 6.980 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.954 8.591 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.587 9.122 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.115 9.443 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.098 8.378 -4.732 1.00 0.00 H new ATOM 780 N ASN A 58 8.457 6.895 -0.085 1.00 0.00 N ATOM 781 CA ASN A 58 8.345 6.327 1.248 1.00 0.00 C ATOM 782 C ASN A 58 7.752 7.373 2.195 1.00 0.00 C ATOM 783 O ASN A 58 8.486 8.147 2.808 1.00 0.00 O ATOM 784 CB ASN A 58 9.717 5.922 1.790 1.00 0.00 C ATOM 785 CG ASN A 58 10.363 4.854 0.905 1.00 0.00 C ATOM 786 OD1 ASN A 58 9.821 3.784 0.683 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.549 5.204 0.416 1.00 0.00 N ATOM 0 H ASN A 58 8.509 7.913 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 58 7.706 5.446 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.365 6.797 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.613 5.543 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.063 4.560 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.945 6.116 0.642 1.00 0.00 H new ATOM 793 N PHE A 59 6.431 7.362 2.283 1.00 0.00 N ATOM 794 CA PHE A 59 5.730 8.300 3.145 1.00 0.00 C ATOM 795 C PHE A 59 5.818 7.868 4.610 1.00 0.00 C ATOM 796 O PHE A 59 4.798 7.754 5.289 1.00 0.00 O ATOM 797 CB PHE A 59 4.263 8.297 2.711 1.00 0.00 C ATOM 798 CG PHE A 59 4.035 8.806 1.286 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.762 9.852 0.812 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.105 8.210 0.493 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.550 10.324 -0.510 1.00 0.00 C ATOM 802 CE2 PHE A 59 2.893 8.681 -0.830 1.00 0.00 C ATOM 803 CZ PHE A 59 3.620 9.729 -1.303 1.00 0.00 C ATOM 0 H PHE A 59 5.826 6.719 1.772 1.00 0.00 H new ATOM 0 HA PHE A 59 6.177 9.290 3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.873 7.282 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.689 8.914 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.502 10.324 1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.528 7.378 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.128 11.156 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.155 8.207 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.458 10.088 -2.309 1.00 0.00 H new ATOM 812 N GLU A 60 7.044 7.640 5.055 1.00 0.00 N ATOM 813 CA GLU A 60 7.278 7.224 6.427 1.00 0.00 C ATOM 814 C GLU A 60 6.882 8.341 7.395 1.00 0.00 C ATOM 815 O GLU A 60 5.946 8.185 8.178 1.00 0.00 O ATOM 816 CB GLU A 60 8.736 6.811 6.634 1.00 0.00 C ATOM 817 CG GLU A 60 9.068 5.549 5.834 1.00 0.00 C ATOM 818 CD GLU A 60 9.140 4.324 6.748 1.00 0.00 C ATOM 819 OE1 GLU A 60 8.186 3.532 6.800 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.236 4.207 7.417 1.00 0.00 O ATOM 0 H GLU A 60 7.887 7.736 4.489 1.00 0.00 H new ATOM 0 HA GLU A 60 6.656 6.353 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.395 7.624 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.920 6.633 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.310 5.391 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.020 5.680 5.320 1.00 0.00 H new ATOM 826 N ASN A 61 7.614 9.441 7.310 1.00 0.00 N ATOM 827 CA ASN A 61 7.351 10.583 8.169 1.00 0.00 C ATOM 828 C ASN A 61 5.894 11.018 8.000 1.00 0.00 C ATOM 829 O ASN A 61 5.354 11.734 8.842 1.00 0.00 O ATOM 830 CB ASN A 61 8.245 11.769 7.798 1.00 0.00 C ATOM 831 CG ASN A 61 9.229 12.087 8.926 1.00 0.00 C ATOM 832 OD1 ASN A 61 10.085 11.294 9.280 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.059 13.290 9.468 1.00 0.00 N ATOM 0 H ASN A 61 8.390 9.566 6.659 1.00 0.00 H new ATOM 0 HA ASN A 61 7.555 10.285 9.198 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.794 11.543 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.628 12.644 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.666 13.597 10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.322 13.905 9.123 1.00 0.00 H new ATOM 839 N MET A 62 5.299 10.568 6.905 1.00 0.00 N ATOM 840 CA MET A 62 3.915 10.902 6.615 1.00 0.00 C ATOM 841 C MET A 62 2.965 10.185 7.576 1.00 0.00 C ATOM 842 O MET A 62 2.440 10.796 8.506 1.00 0.00 O ATOM 843 CB MET A 62 3.584 10.501 5.176 1.00 0.00 C ATOM 844 CG MET A 62 2.959 11.669 4.411 1.00 0.00 C ATOM 845 SD MET A 62 3.673 11.782 2.778 1.00 0.00 S ATOM 846 CE MET A 62 2.361 11.047 1.815 1.00 0.00 C ATOM 0 H MET A 62 5.750 9.975 6.208 1.00 0.00 H new ATOM 0 HA MET A 62 3.786 11.977 6.741 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.491 10.173 4.668 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.897 9.655 5.179 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.880 11.530 4.336 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.124 12.600 4.954 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.679 10.956 0.776 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.129 10.058 2.211 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.473 11.677 1.869 1.00 0.00 H new ATOM 854 N SER A 63 2.771 8.901 7.318 1.00 0.00 N ATOM 855 CA SER A 63 1.893 8.094 8.149 1.00 0.00 C ATOM 856 C SER A 63 0.834 8.982 8.806 1.00 0.00 C ATOM 857 O SER A 63 0.661 8.951 10.024 1.00 0.00 O ATOM 858 CB SER A 63 2.687 7.336 9.216 1.00 0.00 C ATOM 859 OG SER A 63 1.883 7.008 10.346 1.00 0.00 O ATOM 0 H SER A 63 3.207 8.398 6.545 1.00 0.00 H new ATOM 0 HA SER A 63 1.399 7.360 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.095 6.422 8.784 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.534 7.943 9.537 1.00 0.00 H new ATOM 0 HG SER A 63 1.607 7.831 10.801 1.00 0.00 H new ATOM 864 N ASN A 64 0.153 9.752 7.971 1.00 0.00 N ATOM 865 CA ASN A 64 -0.885 10.647 8.456 1.00 0.00 C ATOM 866 C ASN A 64 -2.232 9.922 8.428 1.00 0.00 C ATOM 867 O ASN A 64 -3.277 10.552 8.275 1.00 0.00 O ATOM 868 CB ASN A 64 -0.998 11.889 7.570 1.00 0.00 C ATOM 869 CG ASN A 64 -1.296 13.135 8.407 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.413 13.622 8.467 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.239 13.620 9.051 1.00 0.00 N ATOM 0 H ASN A 64 0.299 9.775 6.962 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.623 10.949 9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.069 12.031 7.017 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.788 11.744 6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.336 14.448 9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.669 13.164 8.958 1.00 0.00 H new ATOM 877 N ASP A 65 -2.162 8.607 8.578 1.00 0.00 N ATOM 878 CA ASP A 65 -3.364 7.789 8.572 1.00 0.00 C ATOM 879 C ASP A 65 -4.314 8.293 7.483 1.00 0.00 C ATOM 880 O ASP A 65 -5.530 8.157 7.604 1.00 0.00 O ATOM 881 CB ASP A 65 -4.095 7.875 9.914 1.00 0.00 C ATOM 882 CG ASP A 65 -3.186 7.941 11.142 1.00 0.00 C ATOM 883 OD1 ASP A 65 -2.353 8.851 11.273 1.00 0.00 O ATOM 884 OD2 ASP A 65 -3.359 6.994 12.001 1.00 0.00 O ATOM 0 H ASP A 65 -1.293 8.088 8.704 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.068 6.756 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.735 8.758 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.749 7.008 10.011 1.00 0.00 H new ATOM 889 N ASP A 66 -3.721 8.865 6.444 1.00 0.00 N ATOM 890 CA ASP A 66 -4.500 9.390 5.336 1.00 0.00 C ATOM 891 C ASP A 66 -3.567 9.686 4.159 1.00 0.00 C ATOM 892 O ASP A 66 -3.824 10.596 3.373 1.00 0.00 O ATOM 893 CB ASP A 66 -5.201 10.693 5.723 1.00 0.00 C ATOM 894 CG ASP A 66 -6.174 10.579 6.898 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.856 10.975 8.030 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.315 10.051 6.612 1.00 0.00 O ATOM 0 H ASP A 66 -2.712 8.976 6.347 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.249 8.645 5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.443 11.437 5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.745 11.067 4.855 1.00 0.00 H new ATOM 901 N ALA A 67 -2.504 8.900 4.076 1.00 0.00 N ATOM 902 CA ALA A 67 -1.532 9.067 3.009 1.00 0.00 C ATOM 903 C ALA A 67 -2.220 8.851 1.659 1.00 0.00 C ATOM 904 O ALA A 67 -1.671 9.202 0.616 1.00 0.00 O ATOM 905 CB ALA A 67 -0.362 8.104 3.228 1.00 0.00 C ATOM 0 H ALA A 67 -2.294 8.146 4.730 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.127 10.079 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.367 8.229 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.111 8.318 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.730 7.078 3.226 1.00 0.00 H new ATOM 911 N VAL A 68 -3.411 8.275 1.725 1.00 0.00 N ATOM 912 CA VAL A 68 -4.180 8.008 0.521 1.00 0.00 C ATOM 913 C VAL A 68 -4.413 9.319 -0.231 1.00 0.00 C ATOM 914 O VAL A 68 -4.363 9.353 -1.460 1.00 0.00 O ATOM 915 CB VAL A 68 -5.479 7.284 0.879 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.573 7.579 -0.150 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.249 5.779 1.020 1.00 0.00 C ATOM 0 H VAL A 68 -3.862 7.986 2.593 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.628 7.345 -0.145 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.817 7.661 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.486 7.052 0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.767 8.651 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.246 7.244 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.189 5.290 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.875 5.378 0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.519 5.595 1.808 1.00 0.00 H new ATOM 927 N ARG A 69 -4.664 10.369 0.538 1.00 0.00 N ATOM 928 CA ARG A 69 -4.906 11.680 -0.040 1.00 0.00 C ATOM 929 C ARG A 69 -3.864 11.985 -1.119 1.00 0.00 C ATOM 930 O ARG A 69 -4.102 12.807 -2.001 1.00 0.00 O ATOM 931 CB ARG A 69 -4.855 12.772 1.031 1.00 0.00 C ATOM 932 CG ARG A 69 -4.998 14.161 0.405 1.00 0.00 C ATOM 933 CD ARG A 69 -6.039 14.995 1.153 1.00 0.00 C ATOM 934 NE ARG A 69 -7.262 15.134 0.332 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.494 15.354 0.841 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.675 15.464 2.174 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.517 15.462 0.014 1.00 0.00 N ATOM 0 H ARG A 69 -4.705 10.338 1.557 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.901 11.668 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.653 12.612 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.912 12.709 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.036 14.673 0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.288 14.064 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.282 14.521 2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.631 15.980 1.382 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.169 15.059 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.878 15.381 2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.609 15.630 2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.370 15.379 -0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.454 15.628 0.381 1.00 0.00 H new ATOM 947 N VAL A 70 -2.732 11.305 -1.012 1.00 0.00 N ATOM 948 CA VAL A 70 -1.653 11.493 -1.967 1.00 0.00 C ATOM 949 C VAL A 70 -1.517 10.236 -2.830 1.00 0.00 C ATOM 950 O VAL A 70 -1.417 10.326 -4.053 1.00 0.00 O ATOM 951 CB VAL A 70 -0.361 11.855 -1.232 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.737 10.828 -1.514 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.101 13.267 -1.601 1.00 0.00 C ATOM 0 H VAL A 70 -2.539 10.623 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.875 12.325 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.568 11.838 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.644 11.109 -0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.409 9.844 -1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.941 10.798 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.021 13.500 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.282 13.322 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.671 13.986 -1.326 1.00 0.00 H new ATOM 963 N LEU A 71 -1.518 9.093 -2.159 1.00 0.00 N ATOM 964 CA LEU A 71 -1.397 7.821 -2.849 1.00 0.00 C ATOM 965 C LEU A 71 -2.409 7.768 -3.996 1.00 0.00 C ATOM 966 O LEU A 71 -2.091 7.306 -5.090 1.00 0.00 O ATOM 967 CB LEU A 71 -1.526 6.661 -1.860 1.00 0.00 C ATOM 968 CG LEU A 71 -0.408 5.616 -1.901 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.649 5.905 -0.834 1.00 0.00 C ATOM 970 CD2 LEU A 71 -0.975 4.201 -1.779 1.00 0.00 C ATOM 0 H LEU A 71 -1.601 9.022 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.407 7.722 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.574 7.073 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.475 6.157 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 71 0.086 5.681 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.432 5.149 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.083 6.889 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.186 5.883 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.160 3.478 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.510 4.103 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.661 4.011 -2.605 1.00 0.00 H new ATOM 981 N ARG A 72 -3.609 8.248 -3.704 1.00 0.00 N ATOM 982 CA ARG A 72 -4.671 8.261 -4.697 1.00 0.00 C ATOM 983 C ARG A 72 -4.296 9.178 -5.863 1.00 0.00 C ATOM 984 O ARG A 72 -4.857 9.065 -6.951 1.00 0.00 O ATOM 985 CB ARG A 72 -5.990 8.739 -4.087 1.00 0.00 C ATOM 986 CG ARG A 72 -7.154 8.519 -5.055 1.00 0.00 C ATOM 987 CD ARG A 72 -7.591 7.052 -5.062 1.00 0.00 C ATOM 988 NE ARG A 72 -9.054 6.960 -4.863 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.719 5.803 -4.657 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.054 4.629 -4.622 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.028 5.837 -4.491 1.00 0.00 N ATOM 0 H ARG A 72 -3.870 8.630 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.799 7.241 -5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.180 8.203 -3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.916 9.797 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.994 9.151 -4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.858 8.819 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.314 6.586 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.073 6.506 -4.274 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.594 7.825 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.042 4.612 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.563 3.759 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.523 6.729 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.545 4.972 -4.334 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.348 10.065 -5.596 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.891 10.999 -6.610 1.00 0.00 C ATOM 1003 C GLU A 73 -1.936 10.304 -7.581 1.00 0.00 C ATOM 1004 O GLU A 73 -1.718 10.784 -8.694 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.228 12.221 -5.970 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.706 12.154 -6.109 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.050 13.426 -5.566 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.713 14.224 -4.888 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.196 13.569 -5.870 1.00 0.00 O ATOM 0 H GLU A 73 -2.884 10.156 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.758 11.348 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.600 13.130 -6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.499 12.276 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.326 11.286 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.438 12.021 -7.157 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.393 9.184 -7.128 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.467 8.417 -7.943 1.00 0.00 C ATOM 1017 C ILE A 74 -1.217 7.820 -9.135 1.00 0.00 C ATOM 1018 O ILE A 74 -1.350 8.463 -10.176 1.00 0.00 O ATOM 1019 CB ILE A 74 0.263 7.376 -7.092 1.00 0.00 C ATOM 1020 CG1 ILE A 74 0.883 8.020 -5.850 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.298 6.616 -7.922 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.343 8.401 -6.101 1.00 0.00 C ATOM 0 H ILE A 74 -1.577 8.789 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 74 0.310 9.065 -8.347 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.468 6.646 -6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.314 8.908 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.823 7.329 -5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.802 5.883 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.800 6.105 -8.746 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.031 7.317 -8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.760 8.857 -5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.914 7.507 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.397 9.111 -6.926 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.689 6.596 -8.944 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.422 5.906 -9.991 1.00 0.00 C ATOM 1035 C VAL A 75 -3.316 6.906 -10.727 1.00 0.00 C ATOM 1036 O VAL A 75 -3.470 6.827 -11.946 1.00 0.00 O ATOM 1037 CB VAL A 75 -3.204 4.733 -9.396 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.414 3.428 -9.520 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.581 5.009 -7.939 1.00 0.00 C ATOM 0 H VAL A 75 -1.578 6.065 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.734 5.484 -10.723 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.126 4.622 -9.966 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.992 2.610 -9.090 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.218 3.220 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.468 3.523 -8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.136 4.160 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.676 5.160 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.200 5.904 -7.887 1.00 0.00 H new ATOM 1049 N SER A 76 -3.882 7.824 -9.958 1.00 0.00 N ATOM 1050 CA SER A 76 -4.756 8.839 -10.522 1.00 0.00 C ATOM 1051 C SER A 76 -4.057 9.542 -11.687 1.00 0.00 C ATOM 1052 O SER A 76 -4.544 9.514 -12.816 1.00 0.00 O ATOM 1053 CB SER A 76 -5.173 9.859 -9.460 1.00 0.00 C ATOM 1054 OG SER A 76 -5.663 11.064 -10.041 1.00 0.00 O ATOM 0 H SER A 76 -3.752 7.886 -8.948 1.00 0.00 H new ATOM 0 HA SER A 76 -5.657 8.348 -10.890 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.943 9.425 -8.823 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.320 10.086 -8.820 1.00 0.00 H new ATOM 0 HG SER A 76 -5.920 11.689 -9.331 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.925 10.156 -11.374 1.00 0.00 N ATOM 1060 CA GLN A 77 -2.156 10.865 -12.382 1.00 0.00 C ATOM 1061 C GLN A 77 -0.673 10.499 -12.271 1.00 0.00 C ATOM 1062 O GLN A 77 -0.304 9.336 -12.430 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.356 12.377 -12.262 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.829 12.750 -12.441 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.987 13.884 -13.456 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.780 15.049 -13.160 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.366 13.480 -14.665 1.00 0.00 N ATOM 0 H GLN A 77 -2.522 10.177 -10.437 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.515 10.561 -13.365 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.007 12.718 -11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.754 12.888 -13.013 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.391 11.878 -12.774 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.250 13.053 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.522 12.488 -14.846 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.500 14.162 -15.412 1.00 0.00 H new ATOM 1074 N THR A 78 0.136 11.513 -12.001 1.00 0.00 N ATOM 1075 CA THR A 78 1.568 11.312 -11.869 1.00 0.00 C ATOM 1076 C THR A 78 1.860 10.185 -10.874 1.00 0.00 C ATOM 1077 O THR A 78 0.942 9.514 -10.406 1.00 0.00 O ATOM 1078 CB THR A 78 2.199 12.649 -11.474 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.678 12.908 -10.173 1.00 0.00 O ATOM 1080 CG2 THR A 78 1.680 13.813 -12.320 1.00 0.00 C ATOM 0 H THR A 78 -0.174 12.476 -11.870 1.00 0.00 H new ATOM 0 HA THR A 78 2.011 10.993 -12.813 1.00 0.00 H new ATOM 0 HB THR A 78 3.282 12.582 -11.573 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.037 13.757 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.159 14.738 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.910 13.631 -13.370 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.601 13.901 -12.195 1.00 0.00 H new ATOM 1088 N GLY A 79 3.140 10.015 -10.581 1.00 0.00 N ATOM 1089 CA GLY A 79 3.564 8.982 -9.651 1.00 0.00 C ATOM 1090 C GLY A 79 3.460 7.594 -10.288 1.00 0.00 C ATOM 1091 O GLY A 79 2.372 7.157 -10.657 1.00 0.00 O ATOM 0 H GLY A 79 3.898 10.575 -10.971 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.592 9.167 -9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.948 9.021 -8.753 1.00 0.00 H new ATOM 1095 N PRO A 80 4.637 6.924 -10.398 1.00 0.00 N ATOM 1096 CA PRO A 80 4.689 5.595 -10.984 1.00 0.00 C ATOM 1097 C PRO A 80 4.143 4.546 -10.013 1.00 0.00 C ATOM 1098 O PRO A 80 4.269 4.694 -8.799 1.00 0.00 O ATOM 1099 CB PRO A 80 6.152 5.376 -11.334 1.00 0.00 C ATOM 1100 CG PRO A 80 6.934 6.390 -10.514 1.00 0.00 C ATOM 1101 CD PRO A 80 5.946 7.411 -9.971 1.00 0.00 C ATOM 0 HA PRO A 80 4.063 5.502 -11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.462 4.359 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.324 5.520 -12.401 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.460 5.896 -9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.689 6.879 -11.130 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.007 7.482 -8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.147 8.406 -10.368 1.00 0.00 H new ATOM 1106 N ILE A 81 3.548 3.509 -10.585 1.00 0.00 N ATOM 1107 CA ILE A 81 2.983 2.436 -9.786 1.00 0.00 C ATOM 1108 C ILE A 81 4.110 1.531 -9.285 1.00 0.00 C ATOM 1109 O ILE A 81 5.110 1.338 -9.975 1.00 0.00 O ATOM 1110 CB ILE A 81 1.901 1.694 -10.573 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.523 2.306 -10.323 1.00 0.00 C ATOM 1112 CG2 ILE A 81 1.928 0.196 -10.262 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.506 1.766 -11.317 1.00 0.00 C ATOM 0 H ILE A 81 3.445 3.390 -11.593 1.00 0.00 H new ATOM 0 HA ILE A 81 2.483 2.839 -8.905 1.00 0.00 H new ATOM 0 HB ILE A 81 2.114 1.807 -11.636 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.202 2.084 -9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.582 3.391 -10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.149 -0.308 -10.834 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.901 -0.214 -10.533 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.753 0.042 -9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.477 2.218 -11.117 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.194 2.011 -12.332 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.581 0.684 -11.212 1.00 0.00 H new ATOM 1124 N SER A 82 3.910 0.998 -8.088 1.00 0.00 N ATOM 1125 CA SER A 82 4.898 0.118 -7.486 1.00 0.00 C ATOM 1126 C SER A 82 4.789 0.174 -5.961 1.00 0.00 C ATOM 1127 O SER A 82 5.798 0.289 -5.267 1.00 0.00 O ATOM 1128 CB SER A 82 6.313 0.492 -7.932 1.00 0.00 C ATOM 1129 OG SER A 82 6.716 -0.230 -9.093 1.00 0.00 O ATOM 0 H SER A 82 3.079 1.159 -7.519 1.00 0.00 H new ATOM 0 HA SER A 82 4.698 -0.900 -7.820 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.358 1.562 -8.137 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.013 0.293 -7.121 1.00 0.00 H new ATOM 0 HG SER A 82 6.127 -0.001 -9.842 1.00 0.00 H new ATOM 1134 N LEU A 83 3.555 0.090 -5.484 1.00 0.00 N ATOM 1135 CA LEU A 83 3.302 0.130 -4.054 1.00 0.00 C ATOM 1136 C LEU A 83 4.489 -0.487 -3.313 1.00 0.00 C ATOM 1137 O LEU A 83 5.095 -1.444 -3.792 1.00 0.00 O ATOM 1138 CB LEU A 83 1.962 -0.533 -3.730 1.00 0.00 C ATOM 1139 CG LEU A 83 0.896 -0.463 -4.824 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.089 -1.582 -5.850 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.511 -0.474 -4.222 1.00 0.00 C ATOM 0 H LEU A 83 2.720 -0.006 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 83 3.213 1.161 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.146 -1.582 -3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.560 -0.071 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 83 1.012 0.483 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.318 -1.509 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.071 -1.486 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.016 -2.549 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.249 -0.423 -5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.656 -1.392 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.631 0.385 -3.562 1.00 0.00 H new ATOM 1152 N THR A 84 4.786 0.086 -2.155 1.00 0.00 N ATOM 1153 CA THR A 84 5.890 -0.396 -1.343 1.00 0.00 C ATOM 1154 C THR A 84 5.436 -0.609 0.102 1.00 0.00 C ATOM 1155 O THR A 84 4.552 0.094 0.589 1.00 0.00 O ATOM 1156 CB THR A 84 7.045 0.600 -1.476 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.439 0.493 -2.841 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.286 0.164 -0.695 1.00 0.00 C ATOM 0 H THR A 84 4.281 0.879 -1.760 1.00 0.00 H new ATOM 0 HA THR A 84 6.239 -1.369 -1.688 1.00 0.00 H new ATOM 0 HB THR A 84 6.722 1.580 -1.126 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.896 1.316 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.075 0.905 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.038 0.077 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.630 -0.801 -1.068 1.00 0.00 H new ATOM 1166 N VAL A 85 6.060 -1.584 0.747 1.00 0.00 N ATOM 1167 CA VAL A 85 5.730 -1.899 2.127 1.00 0.00 C ATOM 1168 C VAL A 85 7.001 -2.321 2.867 1.00 0.00 C ATOM 1169 O VAL A 85 7.955 -2.792 2.249 1.00 0.00 O ATOM 1170 CB VAL A 85 4.631 -2.963 2.172 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.523 -2.650 1.164 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.209 -4.359 1.936 1.00 0.00 C ATOM 0 H VAL A 85 6.792 -2.166 0.340 1.00 0.00 H new ATOM 0 HA VAL A 85 5.334 -1.020 2.636 1.00 0.00 H new ATOM 0 HB VAL A 85 4.191 -2.948 3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.755 -3.421 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.081 -1.681 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.943 -2.624 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.407 -5.096 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.689 -4.394 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.944 -4.584 2.709 1.00 0.00 H new ATOM 1182 N ALA A 86 6.972 -2.138 4.179 1.00 0.00 N ATOM 1183 CA ALA A 86 8.110 -2.493 5.009 1.00 0.00 C ATOM 1184 C ALA A 86 7.928 -3.920 5.531 1.00 0.00 C ATOM 1185 O ALA A 86 8.273 -4.214 6.675 1.00 0.00 O ATOM 1186 CB ALA A 86 8.257 -1.473 6.139 1.00 0.00 C ATOM 0 H ALA A 86 6.178 -1.748 4.687 1.00 0.00 H new ATOM 0 HA ALA A 86 9.032 -2.469 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.111 -1.740 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.413 -0.481 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.352 -1.470 6.747 1.00 0.00 H new