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 Set 1.1: A 3 THR OG1 : rot -134:sc= 1.25 USER MOD Set 1.2: A 82 SER OG : rot -53:sc= 0.977 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 18:sc= 0.165 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 -124:sc= -0.0127 (180deg=-0.372) USER MOD Single : A 53 GLN : amide:sc= -1.61 X(o=-1.6,f=-2!) USER MOD Single : A 55 ASN : amide:sc= -3.36! C(o=-3.4!,f=-4.8!) USER MOD Single : A 58 ASN : amide:sc= -1.61! C(o=-1.6!,f=-6.7!) USER MOD Single : A 61 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.1!) USER MOD Single : A 62 MET CE :methyl -177:sc= -9.87! (180deg=-9.98!) USER MOD Single : A 63 SER OG : rot -67:sc= 0.775 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 163:sc= -0.033 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.538 -5.492 -2.467 1.00 0.00 N ATOM 16 CA VAL A 2 5.902 -6.094 -3.626 1.00 0.00 C ATOM 17 C VAL A 2 5.673 -5.022 -4.692 1.00 0.00 C ATOM 18 O VAL A 2 4.972 -4.041 -4.450 1.00 0.00 O ATOM 19 CB VAL A 2 4.614 -6.805 -3.206 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.995 -7.559 -4.384 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.865 -7.744 -2.024 1.00 0.00 C ATOM 0 HA VAL A 2 6.549 -6.854 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 2 3.902 -6.045 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.081 -8.055 -4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.761 -6.856 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.701 -8.304 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.933 -8.236 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.602 -8.496 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.239 -7.170 -1.176 1.00 0.00 H new ATOM 31 N THR A 3 6.278 -5.244 -5.850 1.00 0.00 N ATOM 32 CA THR A 3 6.149 -4.309 -6.954 1.00 0.00 C ATOM 33 C THR A 3 5.761 -5.047 -8.236 1.00 0.00 C ATOM 34 O THR A 3 6.582 -5.751 -8.825 1.00 0.00 O ATOM 35 CB THR A 3 7.463 -3.534 -7.073 1.00 0.00 C ATOM 36 OG1 THR A 3 7.346 -2.500 -6.100 1.00 0.00 O ATOM 37 CG2 THR A 3 7.581 -2.783 -8.402 1.00 0.00 C ATOM 0 H THR A 3 6.859 -6.059 -6.047 1.00 0.00 H new ATOM 0 HA THR A 3 5.347 -3.593 -6.774 1.00 0.00 H new ATOM 0 HB THR A 3 8.301 -4.223 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.621 -1.646 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.531 -2.250 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.535 -3.494 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.761 -2.070 -8.491 1.00 0.00 H new ATOM 201 N ILE A 14 -8.437 0.530 -2.530 1.00 0.00 N ATOM 202 CA ILE A 14 -7.752 0.167 -1.301 1.00 0.00 C ATOM 203 C ILE A 14 -8.013 1.238 -0.241 1.00 0.00 C ATOM 204 O ILE A 14 -8.622 2.267 -0.530 1.00 0.00 O ATOM 205 CB ILE A 14 -6.267 -0.084 -1.570 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.714 0.926 -2.578 1.00 0.00 C ATOM 207 CG2 ILE A 14 -6.026 -1.527 -2.015 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.768 2.348 -2.014 1.00 0.00 C ATOM 0 HA ILE A 14 -8.144 -0.771 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.722 0.060 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.685 0.669 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.289 0.875 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.962 -1.678 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.359 -2.209 -1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.584 -1.724 -2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.369 3.047 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.801 2.610 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.172 2.401 -1.103 1.00 0.00 H new ATOM 219 N SER A 15 -7.540 0.960 0.965 1.00 0.00 N ATOM 220 CA SER A 15 -7.714 1.887 2.070 1.00 0.00 C ATOM 221 C SER A 15 -6.559 1.742 3.062 1.00 0.00 C ATOM 222 O SER A 15 -5.955 0.676 3.165 1.00 0.00 O ATOM 223 CB SER A 15 -9.051 1.657 2.776 1.00 0.00 C ATOM 224 OG SER A 15 -9.047 0.461 3.551 1.00 0.00 O ATOM 0 H SER A 15 -7.036 0.105 1.201 1.00 0.00 H new ATOM 0 HA SER A 15 -7.715 2.900 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.271 2.507 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.848 1.606 2.035 1.00 0.00 H new ATOM 0 HG SER A 15 -9.918 0.351 3.987 1.00 0.00 H new ATOM 229 N ILE A 16 -6.285 2.832 3.765 1.00 0.00 N ATOM 230 CA ILE A 16 -5.212 2.840 4.745 1.00 0.00 C ATOM 231 C ILE A 16 -5.807 3.012 6.144 1.00 0.00 C ATOM 232 O ILE A 16 -7.001 3.270 6.288 1.00 0.00 O ATOM 233 CB ILE A 16 -4.167 3.897 4.386 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.780 5.300 4.397 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.496 3.575 3.049 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.189 6.148 5.524 1.00 0.00 C ATOM 0 H ILE A 16 -6.787 3.715 3.675 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.682 1.887 4.739 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.388 3.879 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.600 5.787 3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.861 5.228 4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.758 4.343 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.003 2.605 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.249 3.547 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.642 7.139 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.392 5.671 6.483 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.112 6.239 5.384 1.00 0.00 H new ATOM 247 N VAL A 17 -4.946 2.863 7.141 1.00 0.00 N ATOM 248 CA VAL A 17 -5.371 2.999 8.523 1.00 0.00 C ATOM 249 C VAL A 17 -4.142 3.193 9.413 1.00 0.00 C ATOM 250 O VAL A 17 -3.010 3.038 8.958 1.00 0.00 O ATOM 251 CB VAL A 17 -6.219 1.792 8.931 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.435 0.489 8.765 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.736 1.945 10.364 1.00 0.00 C ATOM 0 H VAL A 17 -3.956 2.649 7.018 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.002 3.879 8.643 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.082 1.748 8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.061 -0.353 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.140 0.372 7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.544 0.518 9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.336 1.074 10.629 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.892 2.027 11.049 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.349 2.843 10.436 1.00 0.00 H new ATOM 263 N GLY A 18 -4.406 3.531 10.666 1.00 0.00 N ATOM 264 CA GLY A 18 -3.335 3.748 11.624 1.00 0.00 C ATOM 265 C GLY A 18 -3.662 3.095 12.970 1.00 0.00 C ATOM 266 O GLY A 18 -4.420 2.128 13.027 1.00 0.00 O ATOM 0 H GLY A 18 -5.346 3.660 11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.404 3.337 11.233 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.178 4.818 11.763 1.00 0.00 H new ATOM 366 N GLY A 27 3.399 2.880 11.731 1.00 0.00 N ATOM 367 CA GLY A 27 3.408 2.954 10.281 1.00 0.00 C ATOM 368 C GLY A 27 2.050 2.552 9.702 1.00 0.00 C ATOM 369 O GLY A 27 1.662 1.386 9.772 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.655 3.968 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.184 2.299 9.885 1.00 0.00 H new ATOM 373 N ILE A 28 1.365 3.538 9.144 1.00 0.00 N ATOM 374 CA ILE A 28 0.059 3.302 8.553 1.00 0.00 C ATOM 375 C ILE A 28 0.106 2.022 7.718 1.00 0.00 C ATOM 376 O ILE A 28 1.077 1.779 7.003 1.00 0.00 O ATOM 377 CB ILE A 28 -0.406 4.532 7.770 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.477 5.763 8.675 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.736 4.261 7.064 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.295 5.472 9.935 1.00 0.00 C ATOM 0 H ILE A 28 1.690 4.503 9.088 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.689 3.148 9.331 1.00 0.00 H new ATOM 0 HB ILE A 28 0.332 4.744 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.530 6.072 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.925 6.594 8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.044 5.151 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.617 3.429 6.370 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.496 4.010 7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.329 6.364 10.561 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.309 5.187 9.653 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.830 4.657 10.490 1.00 0.00 H new ATOM 391 N TYR A 29 -0.955 1.238 7.834 1.00 0.00 N ATOM 392 CA TYR A 29 -1.047 -0.012 7.097 1.00 0.00 C ATOM 393 C TYR A 29 -2.384 -0.117 6.361 1.00 0.00 C ATOM 394 O TYR A 29 -3.415 0.313 6.874 1.00 0.00 O ATOM 395 CB TYR A 29 -0.966 -1.125 8.144 1.00 0.00 C ATOM 396 CG TYR A 29 -2.045 -1.044 9.224 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.963 -0.081 10.211 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.101 -1.932 9.214 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.979 -0.004 11.228 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.117 -1.855 10.232 1.00 0.00 C ATOM 401 CZ TYR A 29 -4.006 -0.895 11.189 1.00 0.00 C ATOM 402 OH TYR A 29 -4.966 -0.822 12.150 1.00 0.00 O ATOM 0 H TYR A 29 -1.759 1.443 8.427 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.253 -0.079 6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.042 -2.089 7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.014 -1.091 8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.137 0.614 10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.166 -2.685 8.443 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.927 0.745 12.005 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.948 -2.544 10.235 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.930 0.057 12.582 1.00 0.00 H new ATOM 411 N ILE A 30 -2.323 -0.693 5.169 1.00 0.00 N ATOM 412 CA ILE A 30 -3.516 -0.860 4.357 1.00 0.00 C ATOM 413 C ILE A 30 -4.644 -1.423 5.225 1.00 0.00 C ATOM 414 O ILE A 30 -4.472 -2.447 5.885 1.00 0.00 O ATOM 415 CB ILE A 30 -3.209 -1.709 3.121 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.198 -1.412 1.992 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.172 -3.197 3.475 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.881 -0.072 1.325 1.00 0.00 C ATOM 0 H ILE A 30 -1.466 -1.050 4.746 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.856 0.103 3.977 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.217 -1.439 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.159 -2.210 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.213 -1.394 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.952 -3.779 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.398 -3.374 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.139 -3.500 3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.598 0.115 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.944 0.726 2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.874 -0.102 0.909 1.00 0.00 H new ATOM 429 N GLY A 31 -5.772 -0.731 5.195 1.00 0.00 N ATOM 430 CA GLY A 31 -6.928 -1.148 5.971 1.00 0.00 C ATOM 431 C GLY A 31 -7.449 -2.504 5.490 1.00 0.00 C ATOM 432 O GLY A 31 -7.827 -3.350 6.298 1.00 0.00 O ATOM 0 H GLY A 31 -5.911 0.117 4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.660 -1.210 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.717 -0.400 5.886 1.00 0.00 H new ATOM 436 N SER A 32 -7.454 -2.668 4.175 1.00 0.00 N ATOM 437 CA SER A 32 -7.923 -3.906 3.577 1.00 0.00 C ATOM 438 C SER A 32 -7.812 -3.826 2.053 1.00 0.00 C ATOM 439 O SER A 32 -7.671 -2.740 1.494 1.00 0.00 O ATOM 440 CB SER A 32 -9.366 -4.205 3.989 1.00 0.00 C ATOM 441 OG SER A 32 -10.287 -3.279 3.419 1.00 0.00 O ATOM 0 H SER A 32 -7.141 -1.964 3.507 1.00 0.00 H new ATOM 0 HA SER A 32 -7.294 -4.720 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.630 -5.216 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.447 -4.174 5.076 1.00 0.00 H new ATOM 0 HG SER A 32 -11.197 -3.505 3.704 1.00 0.00 H new ATOM 446 N ILE A 33 -7.879 -4.991 1.425 1.00 0.00 N ATOM 447 CA ILE A 33 -7.789 -5.067 -0.023 1.00 0.00 C ATOM 448 C ILE A 33 -8.965 -5.882 -0.562 1.00 0.00 C ATOM 449 O ILE A 33 -9.134 -7.047 -0.204 1.00 0.00 O ATOM 450 CB ILE A 33 -6.421 -5.607 -0.446 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.304 -4.631 -0.068 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.404 -5.948 -1.938 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.976 -4.726 1.423 1.00 0.00 C ATOM 0 H ILE A 33 -7.995 -5.890 1.893 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.864 -4.072 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.236 -6.533 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.412 -4.849 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.607 -3.613 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.421 -6.330 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.159 -6.706 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.620 -5.051 -2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.179 -4.023 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.864 -4.484 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.650 -5.739 1.660 1.00 0.00 H new ATOM 464 N MET A 34 -9.749 -5.238 -1.415 1.00 0.00 N ATOM 465 CA MET A 34 -10.905 -5.889 -2.006 1.00 0.00 C ATOM 466 C MET A 34 -10.485 -7.092 -2.852 1.00 0.00 C ATOM 467 O MET A 34 -10.309 -6.972 -4.064 1.00 0.00 O ATOM 468 CB MET A 34 -11.662 -4.888 -2.882 1.00 0.00 C ATOM 469 CG MET A 34 -12.487 -3.924 -2.026 1.00 0.00 C ATOM 470 SD MET A 34 -14.199 -3.971 -2.532 1.00 0.00 S ATOM 471 CE MET A 34 -14.717 -2.342 -2.020 1.00 0.00 C ATOM 0 H MET A 34 -9.606 -4.272 -1.710 1.00 0.00 H new ATOM 0 HA MET A 34 -11.550 -6.243 -1.201 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.955 -4.325 -3.491 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.318 -5.423 -3.568 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.403 -4.196 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.097 -2.911 -2.126 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.770 -2.202 -2.263 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.576 -2.237 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.122 -1.591 -2.540 1.00 0.00 H new ATOM 595 N ILE A 45 -3.330 -10.243 -0.431 1.00 0.00 N ATOM 596 CA ILE A 45 -2.739 -9.150 0.322 1.00 0.00 C ATOM 597 C ILE A 45 -3.370 -9.095 1.714 1.00 0.00 C ATOM 598 O ILE A 45 -4.420 -9.692 1.947 1.00 0.00 O ATOM 599 CB ILE A 45 -2.855 -7.839 -0.458 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.918 -7.836 -1.668 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.616 -6.635 0.454 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.517 -8.309 -1.278 1.00 0.00 C ATOM 0 HA ILE A 45 -1.671 -9.318 0.463 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.873 -7.757 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.321 -8.484 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.863 -6.831 -2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.704 -5.716 -0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.356 -6.632 1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.617 -6.698 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.129 -8.297 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.107 -7.644 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.572 -9.323 -0.882 1.00 0.00 H new ATOM 613 N GLU A 46 -2.704 -8.373 2.604 1.00 0.00 N ATOM 614 CA GLU A 46 -3.187 -8.232 3.966 1.00 0.00 C ATOM 615 C GLU A 46 -3.183 -6.760 4.381 1.00 0.00 C ATOM 616 O GLU A 46 -2.542 -5.930 3.737 1.00 0.00 O ATOM 617 CB GLU A 46 -2.354 -9.076 4.933 1.00 0.00 C ATOM 618 CG GLU A 46 -2.657 -10.566 4.761 1.00 0.00 C ATOM 619 CD GLU A 46 -2.898 -11.236 6.115 1.00 0.00 C ATOM 620 OE1 GLU A 46 -4.038 -11.609 6.429 1.00 0.00 O ATOM 621 OE2 GLU A 46 -1.848 -11.367 6.853 1.00 0.00 O ATOM 0 H GLU A 46 -1.833 -7.879 2.407 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.213 -8.598 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.293 -8.894 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.565 -8.774 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.535 -10.691 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.825 -11.054 4.253 1.00 0.00 H new ATOM 627 N PRO A 47 -3.926 -6.471 5.484 1.00 0.00 N ATOM 628 CA PRO A 47 -4.014 -5.113 5.992 1.00 0.00 C ATOM 629 C PRO A 47 -2.725 -4.713 6.713 1.00 0.00 C ATOM 630 O PRO A 47 -2.287 -3.567 6.618 1.00 0.00 O ATOM 631 CB PRO A 47 -5.229 -5.112 6.905 1.00 0.00 C ATOM 632 CG PRO A 47 -5.500 -6.571 7.238 1.00 0.00 C ATOM 633 CD PRO A 47 -4.697 -7.427 6.272 1.00 0.00 C ATOM 0 HA PRO A 47 -4.128 -4.374 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.038 -4.534 7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.088 -4.658 6.412 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.214 -6.787 8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.564 -6.791 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.044 -8.119 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.350 -8.028 5.638 1.00 0.00 H new ATOM 638 N GLY A 48 -2.155 -5.679 7.418 1.00 0.00 N ATOM 639 CA GLY A 48 -0.925 -5.441 8.154 1.00 0.00 C ATOM 640 C GLY A 48 0.300 -5.698 7.273 1.00 0.00 C ATOM 641 O GLY A 48 1.354 -6.093 7.770 1.00 0.00 O ATOM 0 H GLY A 48 -2.522 -6.628 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.907 -4.413 8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.890 -6.089 9.030 1.00 0.00 H new ATOM 645 N ASP A 49 0.121 -5.463 5.982 1.00 0.00 N ATOM 646 CA ASP A 49 1.197 -5.664 5.027 1.00 0.00 C ATOM 647 C ASP A 49 2.184 -4.499 5.126 1.00 0.00 C ATOM 648 O ASP A 49 3.361 -4.649 4.805 1.00 0.00 O ATOM 649 CB ASP A 49 0.662 -5.711 3.595 1.00 0.00 C ATOM 650 CG ASP A 49 1.208 -6.854 2.738 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.719 -6.634 1.629 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.093 -8.028 3.257 1.00 0.00 O ATOM 0 H ASP A 49 -0.754 -5.135 5.574 1.00 0.00 H new ATOM 0 HA ASP A 49 1.683 -6.611 5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.424 -5.791 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.895 -4.766 3.105 1.00 0.00 H new ATOM 657 N MET A 50 1.667 -3.364 5.573 1.00 0.00 N ATOM 658 CA MET A 50 2.488 -2.174 5.718 1.00 0.00 C ATOM 659 C MET A 50 2.656 -1.456 4.377 1.00 0.00 C ATOM 660 O MET A 50 3.771 -1.110 3.989 1.00 0.00 O ATOM 661 CB MET A 50 3.863 -2.565 6.264 1.00 0.00 C ATOM 662 CG MET A 50 4.315 -1.595 7.357 1.00 0.00 C ATOM 663 SD MET A 50 5.244 -0.252 6.637 1.00 0.00 S ATOM 664 CE MET A 50 5.984 0.437 8.108 1.00 0.00 C ATOM 0 H MET A 50 0.690 -3.243 5.840 1.00 0.00 H new ATOM 0 HA MET A 50 1.991 -1.496 6.412 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.824 -3.578 6.665 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.592 -2.571 5.454 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.448 -1.204 7.889 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.928 -2.120 8.090 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.725 1.493 8.185 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.612 -0.093 8.985 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.068 0.332 8.054 1.00 0.00 H new ATOM 672 N LEU A 51 1.531 -1.254 3.706 1.00 0.00 N ATOM 673 CA LEU A 51 1.539 -0.584 2.417 1.00 0.00 C ATOM 674 C LEU A 51 1.313 0.915 2.624 1.00 0.00 C ATOM 675 O LEU A 51 0.185 1.396 2.533 1.00 0.00 O ATOM 676 CB LEU A 51 0.528 -1.233 1.469 1.00 0.00 C ATOM 677 CG LEU A 51 0.372 -0.570 0.099 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.615 0.597 0.163 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.731 -0.141 -0.460 1.00 0.00 C ATOM 0 H LEU A 51 0.608 -1.543 4.031 1.00 0.00 H new ATOM 0 HA LEU A 51 2.511 -0.697 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.818 -2.273 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.446 -1.242 1.959 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.043 -1.305 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.707 1.050 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.590 0.232 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.253 1.342 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.592 0.327 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.197 0.571 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.373 -1.015 -0.566 1.00 0.00 H new ATOM 690 N LEU A 52 2.406 1.613 2.901 1.00 0.00 N ATOM 691 CA LEU A 52 2.341 3.048 3.123 1.00 0.00 C ATOM 692 C LEU A 52 3.342 3.747 2.202 1.00 0.00 C ATOM 693 O LEU A 52 3.514 4.963 2.274 1.00 0.00 O ATOM 694 CB LEU A 52 2.540 3.371 4.605 1.00 0.00 C ATOM 695 CG LEU A 52 3.956 3.776 5.019 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.000 2.877 4.356 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.208 5.257 4.732 1.00 0.00 C ATOM 0 H LEU A 52 3.341 1.211 2.977 1.00 0.00 H new ATOM 0 HA LEU A 52 1.352 3.429 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.859 4.178 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.248 2.498 5.189 1.00 0.00 H new ATOM 0 HG LEU A 52 4.050 3.636 6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.998 3.187 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.832 1.842 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.916 2.960 3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.222 5.519 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.088 5.446 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.494 5.862 5.290 1.00 0.00 H new ATOM 708 N GLN A 53 3.978 2.949 1.356 1.00 0.00 N ATOM 709 CA GLN A 53 4.957 3.476 0.421 1.00 0.00 C ATOM 710 C GLN A 53 4.715 2.909 -0.978 1.00 0.00 C ATOM 711 O GLN A 53 4.128 1.838 -1.125 1.00 0.00 O ATOM 712 CB GLN A 53 6.382 3.178 0.894 1.00 0.00 C ATOM 713 CG GLN A 53 6.490 1.756 1.445 1.00 0.00 C ATOM 714 CD GLN A 53 7.644 1.641 2.445 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.101 2.615 3.019 1.00 0.00 O ATOM 716 NE2 GLN A 53 8.086 0.399 2.619 1.00 0.00 N ATOM 0 H GLN A 53 3.834 1.941 1.299 1.00 0.00 H new ATOM 0 HA GLN A 53 4.842 4.559 0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.078 3.304 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.670 3.893 1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.554 1.478 1.930 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.644 1.055 0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.658 -0.371 2.106 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.853 0.217 3.266 1.00 0.00 H new ATOM 723 N VAL A 54 5.178 3.653 -1.972 1.00 0.00 N ATOM 724 CA VAL A 54 5.019 3.238 -3.355 1.00 0.00 C ATOM 725 C VAL A 54 6.299 3.558 -4.130 1.00 0.00 C ATOM 726 O VAL A 54 7.011 4.503 -3.796 1.00 0.00 O ATOM 727 CB VAL A 54 3.775 3.893 -3.958 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.841 3.890 -5.488 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.500 3.210 -3.463 1.00 0.00 C ATOM 0 H VAL A 54 5.664 4.541 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 54 4.864 2.161 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 54 3.749 4.931 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.945 4.361 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.721 4.444 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.904 2.863 -5.847 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.631 3.696 -3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.515 2.159 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.444 3.288 -2.377 1.00 0.00 H new ATOM 739 N ASN A 55 6.552 2.751 -5.150 1.00 0.00 N ATOM 740 CA ASN A 55 7.735 2.937 -5.975 1.00 0.00 C ATOM 741 C ASN A 55 8.915 3.330 -5.085 1.00 0.00 C ATOM 742 O ASN A 55 9.082 2.790 -3.993 1.00 0.00 O ATOM 743 CB ASN A 55 7.521 4.053 -7.000 1.00 0.00 C ATOM 744 CG ASN A 55 8.415 3.850 -8.224 1.00 0.00 C ATOM 745 OD1 ASN A 55 8.494 2.776 -8.798 1.00 0.00 O ATOM 746 ND2 ASN A 55 9.084 4.940 -8.592 1.00 0.00 N ATOM 0 H ASN A 55 5.959 1.968 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 55 7.933 2.001 -6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.476 4.074 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.738 5.018 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.708 4.907 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.973 5.808 -8.068 1.00 0.00 H new ATOM 752 N ASP A 56 9.704 4.270 -5.586 1.00 0.00 N ATOM 753 CA ASP A 56 10.864 4.743 -4.851 1.00 0.00 C ATOM 754 C ASP A 56 10.413 5.733 -3.775 1.00 0.00 C ATOM 755 O ASP A 56 11.239 6.306 -3.068 1.00 0.00 O ATOM 756 CB ASP A 56 11.846 5.465 -5.776 1.00 0.00 C ATOM 757 CG ASP A 56 11.439 6.887 -6.167 1.00 0.00 C ATOM 758 OD1 ASP A 56 10.322 7.122 -6.650 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.337 7.789 -5.955 1.00 0.00 O ATOM 0 H ASP A 56 9.562 4.716 -6.492 1.00 0.00 H new ATOM 0 HA ASP A 56 11.356 3.878 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.820 5.503 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.967 4.875 -6.684 1.00 0.00 H new ATOM 764 N VAL A 57 9.102 5.903 -3.686 1.00 0.00 N ATOM 765 CA VAL A 57 8.530 6.813 -2.708 1.00 0.00 C ATOM 766 C VAL A 57 8.353 6.081 -1.377 1.00 0.00 C ATOM 767 O VAL A 57 8.098 4.877 -1.356 1.00 0.00 O ATOM 768 CB VAL A 57 7.224 7.404 -3.245 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.248 7.702 -2.104 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.491 8.658 -4.080 1.00 0.00 C ATOM 0 H VAL A 57 8.419 5.426 -4.275 1.00 0.00 H new ATOM 0 HA VAL A 57 9.202 7.652 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 57 6.763 6.661 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.328 8.121 -2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.021 6.780 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.699 8.418 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.546 9.057 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.985 9.408 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.132 8.403 -4.924 1.00 0.00 H new ATOM 780 N ASN A 58 8.494 6.837 -0.298 1.00 0.00 N ATOM 781 CA ASN A 58 8.353 6.274 1.033 1.00 0.00 C ATOM 782 C ASN A 58 7.762 7.331 1.968 1.00 0.00 C ATOM 783 O ASN A 58 8.498 8.078 2.611 1.00 0.00 O ATOM 784 CB ASN A 58 9.709 5.848 1.599 1.00 0.00 C ATOM 785 CG ASN A 58 10.678 7.032 1.650 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.561 7.995 0.911 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.638 6.906 2.562 1.00 0.00 N ATOM 0 H ASN A 58 8.704 7.835 -0.319 1.00 0.00 H new ATOM 0 HA ASN A 58 7.702 5.402 0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.577 5.438 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.131 5.054 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.334 7.643 2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.678 6.073 3.149 1.00 0.00 H new ATOM 793 N PHE A 59 6.439 7.360 2.016 1.00 0.00 N ATOM 794 CA PHE A 59 5.740 8.313 2.862 1.00 0.00 C ATOM 795 C PHE A 59 5.721 7.842 4.317 1.00 0.00 C ATOM 796 O PHE A 59 4.667 7.820 4.953 1.00 0.00 O ATOM 797 CB PHE A 59 4.302 8.399 2.347 1.00 0.00 C ATOM 798 CG PHE A 59 4.183 8.940 0.921 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.928 10.011 0.536 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.332 8.350 0.038 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.817 10.514 -0.788 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.223 8.853 -1.285 1.00 0.00 C ATOM 803 CZ PHE A 59 3.967 9.923 -1.670 1.00 0.00 C ATOM 0 H PHE A 59 5.831 6.738 1.482 1.00 0.00 H new ATOM 0 HA PHE A 59 6.242 9.280 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.853 7.407 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.725 9.037 3.016 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.604 10.479 1.237 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.740 7.500 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.407 11.365 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.548 8.385 -1.986 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.883 10.304 -2.677 1.00 0.00 H new ATOM 812 N GLU A 60 6.897 7.477 4.804 1.00 0.00 N ATOM 813 CA GLU A 60 7.029 7.008 6.173 1.00 0.00 C ATOM 814 C GLU A 60 6.699 8.135 7.154 1.00 0.00 C ATOM 815 O GLU A 60 5.687 8.079 7.851 1.00 0.00 O ATOM 816 CB GLU A 60 8.430 6.451 6.429 1.00 0.00 C ATOM 817 CG GLU A 60 8.654 5.150 5.654 1.00 0.00 C ATOM 818 CD GLU A 60 8.612 3.940 6.591 1.00 0.00 C ATOM 819 OE1 GLU A 60 7.544 3.342 6.783 1.00 0.00 O ATOM 820 OE2 GLU A 60 9.743 3.628 7.127 1.00 0.00 O ATOM 0 H GLU A 60 7.769 7.496 4.275 1.00 0.00 H new ATOM 0 HA GLU A 60 6.318 6.197 6.329 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.177 7.187 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.564 6.271 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.890 5.045 4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.617 5.187 5.145 1.00 0.00 H new ATOM 826 N ASN A 61 7.572 9.132 7.177 1.00 0.00 N ATOM 827 CA ASN A 61 7.385 10.269 8.061 1.00 0.00 C ATOM 828 C ASN A 61 5.938 10.755 7.962 1.00 0.00 C ATOM 829 O ASN A 61 5.416 11.355 8.901 1.00 0.00 O ATOM 830 CB ASN A 61 8.301 11.430 7.665 1.00 0.00 C ATOM 831 CG ASN A 61 9.340 11.704 8.754 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.301 11.150 9.840 1.00 0.00 O ATOM 833 ND2 ASN A 61 10.268 12.590 8.405 1.00 0.00 N ATOM 0 H ASN A 61 8.410 9.175 6.598 1.00 0.00 H new ATOM 0 HA ASN A 61 7.623 9.950 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.805 11.197 6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.705 12.326 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.005 12.843 9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.243 13.017 7.479 1.00 0.00 H new ATOM 839 N MET A 62 5.331 10.476 6.818 1.00 0.00 N ATOM 840 CA MET A 62 3.954 10.877 6.586 1.00 0.00 C ATOM 841 C MET A 62 3.021 10.276 7.639 1.00 0.00 C ATOM 842 O MET A 62 2.586 10.970 8.556 1.00 0.00 O ATOM 843 CB MET A 62 3.516 10.416 5.194 1.00 0.00 C ATOM 844 CG MET A 62 2.983 11.589 4.369 1.00 0.00 C ATOM 845 SD MET A 62 3.752 11.603 2.758 1.00 0.00 S ATOM 846 CE MET A 62 2.427 10.919 1.777 1.00 0.00 C ATOM 0 H MET A 62 5.767 9.977 6.042 1.00 0.00 H new ATOM 0 HA MET A 62 3.896 11.963 6.655 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.359 9.957 4.677 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.744 9.652 5.286 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.901 11.508 4.264 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.184 12.528 4.885 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.759 10.807 0.745 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.145 9.944 2.175 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.567 11.587 1.811 1.00 0.00 H new ATOM 854 N SER A 63 2.744 8.991 7.473 1.00 0.00 N ATOM 855 CA SER A 63 1.872 8.289 8.399 1.00 0.00 C ATOM 856 C SER A 63 0.834 9.254 8.976 1.00 0.00 C ATOM 857 O SER A 63 0.665 9.335 10.191 1.00 0.00 O ATOM 858 CB SER A 63 2.675 7.639 9.527 1.00 0.00 C ATOM 859 OG SER A 63 1.920 7.535 10.731 1.00 0.00 O ATOM 0 H SER A 63 3.108 8.418 6.712 1.00 0.00 H new ATOM 0 HA SER A 63 1.359 7.498 7.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.998 6.646 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.576 8.224 9.714 1.00 0.00 H new ATOM 0 HG SER A 63 1.743 8.432 11.085 1.00 0.00 H new ATOM 864 N ASN A 64 0.167 9.961 8.075 1.00 0.00 N ATOM 865 CA ASN A 64 -0.850 10.918 8.480 1.00 0.00 C ATOM 866 C ASN A 64 -2.211 10.221 8.525 1.00 0.00 C ATOM 867 O ASN A 64 -3.249 10.871 8.420 1.00 0.00 O ATOM 868 CB ASN A 64 -0.944 12.074 7.482 1.00 0.00 C ATOM 869 CG ASN A 64 -1.223 13.396 8.202 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.356 13.763 8.466 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.128 14.090 8.503 1.00 0.00 N ATOM 0 H ASN A 64 0.310 9.891 7.068 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.576 11.308 9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.013 12.151 6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.736 11.874 6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.208 14.986 8.983 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.791 13.726 8.253 1.00 0.00 H new ATOM 877 N ASP A 65 -2.161 8.905 8.680 1.00 0.00 N ATOM 878 CA ASP A 65 -3.377 8.113 8.740 1.00 0.00 C ATOM 879 C ASP A 65 -4.353 8.601 7.667 1.00 0.00 C ATOM 880 O ASP A 65 -5.567 8.473 7.823 1.00 0.00 O ATOM 881 CB ASP A 65 -4.061 8.255 10.101 1.00 0.00 C ATOM 882 CG ASP A 65 -3.111 8.437 11.286 1.00 0.00 C ATOM 883 OD1 ASP A 65 -2.385 9.439 11.375 1.00 0.00 O ATOM 884 OD2 ASP A 65 -3.134 7.485 12.155 1.00 0.00 O ATOM 0 H ASP A 65 -1.298 8.369 8.766 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.107 7.069 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.738 9.108 10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.673 7.370 10.278 1.00 0.00 H new ATOM 889 N ASP A 66 -3.786 9.152 6.604 1.00 0.00 N ATOM 890 CA ASP A 66 -4.591 9.660 5.506 1.00 0.00 C ATOM 891 C ASP A 66 -3.697 9.884 4.285 1.00 0.00 C ATOM 892 O ASP A 66 -3.966 10.761 3.466 1.00 0.00 O ATOM 893 CB ASP A 66 -5.237 10.998 5.870 1.00 0.00 C ATOM 894 CG ASP A 66 -6.164 10.959 7.087 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.780 11.359 8.196 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.343 10.488 6.858 1.00 0.00 O ATOM 0 H ASP A 66 -2.779 9.258 6.480 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.371 8.929 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.448 11.726 6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.805 11.356 5.011 1.00 0.00 H new ATOM 901 N ALA A 67 -2.651 9.074 4.201 1.00 0.00 N ATOM 902 CA ALA A 67 -1.716 9.172 3.094 1.00 0.00 C ATOM 903 C ALA A 67 -2.469 8.971 1.777 1.00 0.00 C ATOM 904 O ALA A 67 -1.958 9.305 0.708 1.00 0.00 O ATOM 905 CB ALA A 67 -0.591 8.153 3.283 1.00 0.00 C ATOM 0 H ALA A 67 -2.431 8.347 4.882 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.258 10.161 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.110 8.227 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.069 8.357 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.012 7.148 3.314 1.00 0.00 H new ATOM 911 N VAL A 68 -3.670 8.427 1.896 1.00 0.00 N ATOM 912 CA VAL A 68 -4.499 8.178 0.728 1.00 0.00 C ATOM 913 C VAL A 68 -4.697 9.486 -0.040 1.00 0.00 C ATOM 914 O VAL A 68 -4.610 9.509 -1.266 1.00 0.00 O ATOM 915 CB VAL A 68 -5.817 7.527 1.151 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.936 7.863 0.163 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.657 6.013 1.305 1.00 0.00 C ATOM 0 H VAL A 68 -4.090 8.151 2.784 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.008 7.477 0.053 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.095 7.934 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.862 7.388 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.076 8.943 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.668 7.497 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.609 5.575 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.344 5.582 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.904 5.802 2.064 1.00 0.00 H new ATOM 927 N ARG A 69 -4.959 10.544 0.714 1.00 0.00 N ATOM 928 CA ARG A 69 -5.171 11.852 0.119 1.00 0.00 C ATOM 929 C ARG A 69 -4.150 12.100 -0.993 1.00 0.00 C ATOM 930 O ARG A 69 -4.408 12.872 -1.917 1.00 0.00 O ATOM 931 CB ARG A 69 -5.051 12.960 1.168 1.00 0.00 C ATOM 932 CG ARG A 69 -5.103 14.342 0.515 1.00 0.00 C ATOM 933 CD ARG A 69 -5.999 15.292 1.312 1.00 0.00 C ATOM 934 NE ARG A 69 -7.267 15.523 0.584 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.416 15.919 1.171 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.466 16.133 2.504 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.489 16.095 0.424 1.00 0.00 N ATOM 0 H ARG A 69 -5.029 10.522 1.731 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.178 11.868 -0.297 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.858 12.867 1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.115 12.848 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.096 14.755 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.478 14.252 -0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.206 14.870 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.485 16.240 1.474 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.273 15.373 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.632 15.995 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.338 16.432 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.443 15.932 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.365 16.394 0.852 1.00 0.00 H new ATOM 947 N VAL A 70 -3.013 11.433 -0.870 1.00 0.00 N ATOM 948 CA VAL A 70 -1.952 11.572 -1.853 1.00 0.00 C ATOM 949 C VAL A 70 -1.849 10.282 -2.670 1.00 0.00 C ATOM 950 O VAL A 70 -1.712 10.325 -3.892 1.00 0.00 O ATOM 951 CB VAL A 70 -0.641 11.947 -1.160 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.464 10.944 -1.496 1.00 0.00 C ATOM 953 CG2 VAL A 70 -0.218 13.372 -1.524 1.00 0.00 C ATOM 0 H VAL A 70 -2.803 10.794 -0.104 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.179 12.381 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.808 11.911 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.385 11.234 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.166 9.949 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.630 10.932 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.717 13.614 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.077 13.445 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.992 14.073 -1.211 1.00 0.00 H new ATOM 963 N LEU A 71 -1.916 9.164 -1.962 1.00 0.00 N ATOM 964 CA LEU A 71 -1.831 7.864 -2.605 1.00 0.00 C ATOM 965 C LEU A 71 -2.875 7.783 -3.723 1.00 0.00 C ATOM 966 O LEU A 71 -2.608 7.230 -4.788 1.00 0.00 O ATOM 967 CB LEU A 71 -1.951 6.744 -1.571 1.00 0.00 C ATOM 968 CG LEU A 71 -0.993 5.563 -1.745 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.158 5.639 -0.741 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.742 4.232 -1.659 1.00 0.00 C ATOM 0 H LEU A 71 -2.028 9.132 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.854 7.733 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.792 7.172 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.972 6.364 -1.594 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.555 5.622 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.824 4.788 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.713 6.565 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.242 5.618 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.038 3.410 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.226 4.149 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.497 4.188 -2.444 1.00 0.00 H new ATOM 981 N ARG A 72 -4.042 8.344 -3.439 1.00 0.00 N ATOM 982 CA ARG A 72 -5.127 8.343 -4.406 1.00 0.00 C ATOM 983 C ARG A 72 -4.793 9.266 -5.580 1.00 0.00 C ATOM 984 O ARG A 72 -5.421 9.186 -6.635 1.00 0.00 O ATOM 985 CB ARG A 72 -6.437 8.800 -3.764 1.00 0.00 C ATOM 986 CG ARG A 72 -7.640 8.376 -4.609 1.00 0.00 C ATOM 987 CD ARG A 72 -8.883 9.189 -4.241 1.00 0.00 C ATOM 988 NE ARG A 72 -9.470 9.794 -5.457 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.700 10.348 -5.509 1.00 0.00 C ATOM 990 NH1 ARG A 72 -11.486 10.376 -4.412 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.124 10.860 -6.649 1.00 0.00 N ATOM 0 H ARG A 72 -4.260 8.802 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.249 7.321 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.523 8.376 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.432 9.884 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.412 8.512 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.838 7.315 -4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.617 8.547 -3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.619 9.970 -3.527 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.910 9.792 -6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.152 9.977 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.414 10.797 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.525 10.833 -7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.051 11.282 -6.705 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.805 10.120 -5.357 1.00 0.00 N ATOM 1002 CA GLU A 73 -3.380 11.057 -6.383 1.00 0.00 C ATOM 1003 C GLU A 73 -2.413 10.378 -7.355 1.00 0.00 C ATOM 1004 O GLU A 73 -2.221 10.849 -8.475 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.746 12.303 -5.759 1.00 0.00 C ATOM 1006 CG GLU A 73 -1.227 12.294 -5.941 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.606 13.595 -5.427 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -1.115 14.185 -4.464 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.444 13.987 -6.065 1.00 0.00 O ATOM 0 H GLU A 73 -3.287 10.183 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.260 11.378 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.166 13.198 -6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.989 12.346 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.798 11.446 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.984 12.162 -6.995 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.831 9.282 -6.890 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.889 8.533 -7.705 1.00 0.00 C ATOM 1017 C ILE A 74 -1.619 7.954 -8.919 1.00 0.00 C ATOM 1018 O ILE A 74 -1.689 8.593 -9.968 1.00 0.00 O ATOM 1019 CB ILE A 74 -0.170 7.480 -6.859 1.00 0.00 C ATOM 1020 CG1 ILE A 74 0.445 8.108 -5.608 1.00 0.00 C ATOM 1021 CG2 ILE A 74 0.869 6.725 -7.692 1.00 0.00 C ATOM 1022 CD1 ILE A 74 1.917 8.455 -5.834 1.00 0.00 C ATOM 0 H ILE A 74 -1.993 8.895 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.108 9.190 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.906 6.750 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.107 9.009 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.355 7.418 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.366 5.982 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.374 6.226 -8.525 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.608 7.428 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.329 8.900 -4.928 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.471 7.549 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.001 9.164 -6.657 1.00 0.00 H new ATOM 1033 N VAL A 75 -2.142 6.751 -8.736 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.863 6.080 -9.805 1.00 0.00 C ATOM 1035 C VAL A 75 -3.665 7.111 -10.601 1.00 0.00 C ATOM 1036 O VAL A 75 -3.771 7.012 -11.822 1.00 0.00 O ATOM 1037 CB VAL A 75 -3.735 4.964 -9.225 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -3.021 3.612 -9.307 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -4.146 5.280 -7.786 1.00 0.00 C ATOM 0 H VAL A 75 -2.081 6.224 -7.865 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.166 5.607 -10.497 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.642 4.902 -9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.662 2.836 -8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.802 3.379 -10.349 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.090 3.657 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.765 4.471 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.255 5.383 -7.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.712 6.211 -7.765 1.00 0.00 H new ATOM 1049 N SER A 76 -4.207 8.079 -9.877 1.00 0.00 N ATOM 1050 CA SER A 76 -4.995 9.128 -10.500 1.00 0.00 C ATOM 1051 C SER A 76 -4.182 9.808 -11.604 1.00 0.00 C ATOM 1052 O SER A 76 -4.543 9.739 -12.778 1.00 0.00 O ATOM 1053 CB SER A 76 -5.455 10.160 -9.467 1.00 0.00 C ATOM 1054 OG SER A 76 -6.143 11.251 -10.073 1.00 0.00 O ATOM 0 H SER A 76 -4.116 8.159 -8.864 1.00 0.00 H new ATOM 0 HA SER A 76 -5.883 8.673 -10.939 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.108 9.678 -8.739 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.590 10.536 -8.920 1.00 0.00 H new ATOM 0 HG SER A 76 -6.422 11.887 -9.381 1.00 0.00 H new ATOM 1059 N GLN A 77 -3.100 10.448 -11.188 1.00 0.00 N ATOM 1060 CA GLN A 77 -2.232 11.140 -12.127 1.00 0.00 C ATOM 1061 C GLN A 77 -0.765 10.829 -11.822 1.00 0.00 C ATOM 1062 O GLN A 77 -0.395 9.668 -11.655 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.489 12.648 -12.103 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.981 12.953 -12.256 1.00 0.00 C ATOM 1065 CD GLN A 77 -4.213 14.041 -13.306 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -4.681 15.130 -13.016 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.862 13.687 -14.539 1.00 0.00 N ATOM 0 H GLN A 77 -2.804 10.502 -10.213 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.458 10.782 -13.132 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.123 13.068 -11.166 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.932 13.128 -12.907 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.514 12.046 -12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.390 13.274 -11.298 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.476 12.759 -14.713 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.979 14.344 -15.311 1.00 0.00 H new ATOM 1074 N THR A 78 0.030 11.887 -11.759 1.00 0.00 N ATOM 1075 CA THR A 78 1.447 11.741 -11.479 1.00 0.00 C ATOM 1076 C THR A 78 1.672 10.673 -10.406 1.00 0.00 C ATOM 1077 O THR A 78 0.755 10.336 -9.659 1.00 0.00 O ATOM 1078 CB THR A 78 1.996 13.116 -11.091 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.179 13.521 -9.997 1.00 0.00 O ATOM 1080 CG2 THR A 78 1.735 14.174 -12.164 1.00 0.00 C ATOM 0 H THR A 78 -0.281 12.849 -11.897 1.00 0.00 H new ATOM 0 HA THR A 78 1.990 11.393 -12.358 1.00 0.00 H new ATOM 0 HB THR A 78 3.068 13.040 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.468 14.403 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.144 15.131 -11.839 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.213 13.873 -13.096 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.661 14.274 -12.323 1.00 0.00 H new ATOM 1088 N GLY A 79 2.897 10.170 -10.365 1.00 0.00 N ATOM 1089 CA GLY A 79 3.253 9.147 -9.396 1.00 0.00 C ATOM 1090 C GLY A 79 3.294 7.764 -10.048 1.00 0.00 C ATOM 1091 O GLY A 79 2.275 7.269 -10.527 1.00 0.00 O ATOM 0 H GLY A 79 3.655 10.451 -10.987 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.225 9.376 -8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.530 9.147 -8.580 1.00 0.00 H new ATOM 1095 N PRO A 80 4.514 7.163 -10.046 1.00 0.00 N ATOM 1096 CA PRO A 80 4.701 5.847 -10.632 1.00 0.00 C ATOM 1097 C PRO A 80 4.125 4.757 -9.727 1.00 0.00 C ATOM 1098 O PRO A 80 4.172 4.872 -8.503 1.00 0.00 O ATOM 1099 CB PRO A 80 6.202 5.717 -10.837 1.00 0.00 C ATOM 1100 CG PRO A 80 6.838 6.764 -9.936 1.00 0.00 C ATOM 1101 CD PRO A 80 5.743 7.719 -9.488 1.00 0.00 C ATOM 0 HA PRO A 80 4.172 5.729 -11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.547 4.716 -10.576 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.470 5.885 -11.880 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.309 6.291 -9.074 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.620 7.303 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.692 7.780 -8.401 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.923 8.729 -9.856 1.00 0.00 H new ATOM 1106 N ILE A 81 3.594 3.724 -10.365 1.00 0.00 N ATOM 1107 CA ILE A 81 3.008 2.613 -9.632 1.00 0.00 C ATOM 1108 C ILE A 81 4.117 1.651 -9.202 1.00 0.00 C ATOM 1109 O ILE A 81 5.095 1.462 -9.924 1.00 0.00 O ATOM 1110 CB ILE A 81 1.904 1.951 -10.456 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.539 2.567 -10.141 1.00 0.00 C ATOM 1112 CG2 ILE A 81 1.907 0.433 -10.259 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.506 2.144 -11.176 1.00 0.00 C ATOM 0 H ILE A 81 3.557 3.633 -11.380 1.00 0.00 H new ATOM 0 HA ILE A 81 2.524 2.969 -8.722 1.00 0.00 H new ATOM 0 HB ILE A 81 2.106 2.139 -11.510 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.217 2.257 -9.147 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.621 3.654 -10.125 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.112 -0.013 -10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.868 0.027 -10.574 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.743 0.202 -9.206 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.467 2.596 -10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.193 2.476 -12.166 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.604 1.058 -11.172 1.00 0.00 H new ATOM 1124 N SER A 82 3.927 1.065 -8.029 1.00 0.00 N ATOM 1125 CA SER A 82 4.899 0.126 -7.495 1.00 0.00 C ATOM 1126 C SER A 82 4.767 0.046 -5.973 1.00 0.00 C ATOM 1127 O SER A 82 5.765 0.112 -5.256 1.00 0.00 O ATOM 1128 CB SER A 82 6.323 0.526 -7.885 1.00 0.00 C ATOM 1129 OG SER A 82 7.296 -0.055 -7.021 1.00 0.00 O ATOM 0 H SER A 82 3.114 1.222 -7.433 1.00 0.00 H new ATOM 0 HA SER A 82 4.697 -0.856 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.518 0.216 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.415 1.612 -7.857 1.00 0.00 H new ATOM 0 HG SER A 82 7.074 0.156 -6.090 1.00 0.00 H new ATOM 1134 N LEU A 83 3.528 -0.094 -5.524 1.00 0.00 N ATOM 1135 CA LEU A 83 3.254 -0.183 -4.101 1.00 0.00 C ATOM 1136 C LEU A 83 4.466 -0.788 -3.388 1.00 0.00 C ATOM 1137 O LEU A 83 5.086 -1.722 -3.896 1.00 0.00 O ATOM 1138 CB LEU A 83 1.951 -0.947 -3.852 1.00 0.00 C ATOM 1139 CG LEU A 83 0.963 -0.983 -5.020 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.417 -1.974 -6.093 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.456 -1.280 -4.528 1.00 0.00 C ATOM 0 H LEU A 83 2.703 -0.148 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 83 3.100 0.811 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.200 -1.973 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.451 -0.502 -2.992 1.00 0.00 H new ATOM 0 HG LEU A 83 0.944 0.004 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.697 -1.980 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.395 -1.677 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.483 -2.973 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.139 -1.300 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.472 -2.248 -4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.769 -0.504 -3.829 1.00 0.00 H new ATOM 1152 N THR A 84 4.768 -0.232 -2.224 1.00 0.00 N ATOM 1153 CA THR A 84 5.894 -0.704 -1.438 1.00 0.00 C ATOM 1154 C THR A 84 5.492 -0.857 0.030 1.00 0.00 C ATOM 1155 O THR A 84 4.745 -0.038 0.562 1.00 0.00 O ATOM 1156 CB THR A 84 7.058 0.264 -1.652 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.369 0.135 -3.036 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.335 -0.190 -0.941 1.00 0.00 C ATOM 0 H THR A 84 4.251 0.542 -1.806 1.00 0.00 H new ATOM 0 HA THR A 84 6.214 -1.695 -1.760 1.00 0.00 H new ATOM 0 HB THR A 84 6.775 1.254 -1.296 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.904 0.904 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.130 0.532 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.149 -0.260 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.636 -1.166 -1.322 1.00 0.00 H new ATOM 1166 N VAL A 85 6.007 -1.913 0.645 1.00 0.00 N ATOM 1167 CA VAL A 85 5.711 -2.183 2.041 1.00 0.00 C ATOM 1168 C VAL A 85 7.008 -2.533 2.774 1.00 0.00 C ATOM 1169 O VAL A 85 7.963 -3.007 2.161 1.00 0.00 O ATOM 1170 CB VAL A 85 4.650 -3.280 2.147 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.375 -2.884 1.400 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.191 -4.618 1.640 1.00 0.00 C ATOM 0 H VAL A 85 6.627 -2.591 0.201 1.00 0.00 H new ATOM 0 HA VAL A 85 5.294 -1.298 2.522 1.00 0.00 H new ATOM 0 HB VAL A 85 4.397 -3.400 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.637 -3.681 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.972 -1.966 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.606 -2.722 0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.416 -5.380 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.487 -4.519 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.056 -4.910 2.236 1.00 0.00 H new ATOM 1182 N ALA A 86 7.000 -2.286 4.075 1.00 0.00 N ATOM 1183 CA ALA A 86 8.164 -2.569 4.898 1.00 0.00 C ATOM 1184 C ALA A 86 8.022 -3.962 5.513 1.00 0.00 C ATOM 1185 O ALA A 86 8.367 -4.171 6.674 1.00 0.00 O ATOM 1186 CB ALA A 86 8.316 -1.477 5.959 1.00 0.00 C ATOM 0 H ALA A 86 6.206 -1.893 4.580 1.00 0.00 H new ATOM 0 HA ALA A 86 9.071 -2.566 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.189 -1.689 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.443 -0.511 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.425 -1.453 6.586 1.00 0.00 H new