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 53 GLN : amide:sc= -2.89 K(o=-3.2,f=-2.6!) USER MOD Set 1.2: A 58 ASN : amide:sc= -0.282 X(o=-3.2,f=-3.1) 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 10:sc= 1.27 USER MOD Single : A 32 SER OG : rot 59:sc= 0.632 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 169:sc= 0 (180deg=-0.124) USER MOD Single : A 55 ASN : amide:sc= -3.97! C(o=-4!,f=-8.7!) USER MOD Single : A 61 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.1) USER MOD Single : A 62 MET CE :methyl -148:sc= -4.89! (180deg=-7.18!) USER MOD Single : A 63 SER OG : rot -51:sc= 0.199 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 73:sc= 1.1 USER MOD Single : A 84 THR OG1 : rot 157:sc= -0.0085 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.539 -4.761 -3.333 1.00 0.00 N ATOM 16 CA VAL A 2 6.121 -5.526 -4.495 1.00 0.00 C ATOM 17 C VAL A 2 5.984 -4.587 -5.696 1.00 0.00 C ATOM 18 O VAL A 2 5.284 -3.579 -5.623 1.00 0.00 O ATOM 19 CB VAL A 2 4.832 -6.289 -4.184 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.406 -7.155 -5.372 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.987 -7.133 -2.918 1.00 0.00 C ATOM 0 HA VAL A 2 6.872 -6.274 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 2 4.045 -5.557 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.487 -7.686 -5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.235 -6.521 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.192 -7.876 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.057 -7.665 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.794 -7.852 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.221 -6.484 -2.074 1.00 0.00 H new ATOM 31 N THR A 3 6.665 -4.951 -6.772 1.00 0.00 N ATOM 32 CA THR A 3 6.629 -4.154 -7.987 1.00 0.00 C ATOM 33 C THR A 3 5.655 -4.764 -8.996 1.00 0.00 C ATOM 34 O THR A 3 6.018 -5.665 -9.750 1.00 0.00 O ATOM 35 CB THR A 3 8.059 -4.037 -8.518 1.00 0.00 C ATOM 36 OG1 THR A 3 8.729 -3.248 -7.538 1.00 0.00 O ATOM 37 CG2 THR A 3 8.143 -3.196 -9.794 1.00 0.00 C ATOM 0 H THR A 3 7.246 -5.788 -6.828 1.00 0.00 H new ATOM 0 HA THR A 3 6.257 -3.149 -7.790 1.00 0.00 H new ATOM 0 HB THR A 3 8.457 -5.033 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.665 -3.124 -7.802 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.179 -3.145 -10.129 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.533 -3.654 -10.572 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.777 -2.189 -9.591 1.00 0.00 H new ATOM 201 N ILE A 14 -8.582 0.119 -2.740 1.00 0.00 N ATOM 202 CA ILE A 14 -7.653 -0.005 -1.630 1.00 0.00 C ATOM 203 C ILE A 14 -8.031 1.000 -0.539 1.00 0.00 C ATOM 204 O ILE A 14 -8.886 1.857 -0.751 1.00 0.00 O ATOM 205 CB ILE A 14 -6.210 0.134 -2.120 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.111 1.166 -3.245 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.640 -1.224 -2.535 1.00 0.00 C ATOM 208 CD1 ILE A 14 -6.397 2.575 -2.723 1.00 0.00 C ATOM 0 HA ILE A 14 -7.720 -0.999 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.601 0.500 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.115 1.133 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.819 0.917 -4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.614 -1.098 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.656 -1.901 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.244 -1.641 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.320 3.289 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.403 2.611 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.672 2.831 -1.950 1.00 0.00 H new ATOM 219 N SER A 15 -7.374 0.861 0.603 1.00 0.00 N ATOM 220 CA SER A 15 -7.630 1.745 1.726 1.00 0.00 C ATOM 221 C SER A 15 -6.489 1.648 2.741 1.00 0.00 C ATOM 222 O SER A 15 -5.802 0.630 2.812 1.00 0.00 O ATOM 223 CB SER A 15 -8.965 1.412 2.397 1.00 0.00 C ATOM 224 OG SER A 15 -9.818 2.551 2.482 1.00 0.00 O ATOM 0 H SER A 15 -6.664 0.149 0.774 1.00 0.00 H new ATOM 0 HA SER A 15 -7.687 2.766 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.467 0.624 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.780 1.022 3.398 1.00 0.00 H new ATOM 0 HG SER A 15 -10.660 2.297 2.914 1.00 0.00 H new ATOM 229 N ILE A 16 -6.321 2.721 3.500 1.00 0.00 N ATOM 230 CA ILE A 16 -5.274 2.769 4.506 1.00 0.00 C ATOM 231 C ILE A 16 -5.912 2.831 5.895 1.00 0.00 C ATOM 232 O ILE A 16 -7.130 2.957 6.019 1.00 0.00 O ATOM 233 CB ILE A 16 -4.308 3.921 4.221 1.00 0.00 C ATOM 234 CG1 ILE A 16 -5.036 5.267 4.253 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.568 3.700 2.901 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.510 6.148 5.387 1.00 0.00 C ATOM 0 H ILE A 16 -6.892 3.564 3.438 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.670 1.862 4.471 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.557 3.943 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.904 5.778 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.106 5.103 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.888 4.533 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.999 2.772 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.289 3.638 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.044 7.098 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.665 5.644 6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.445 6.330 5.242 1.00 0.00 H new ATOM 247 N VAL A 17 -5.061 2.739 6.907 1.00 0.00 N ATOM 248 CA VAL A 17 -5.525 2.784 8.284 1.00 0.00 C ATOM 249 C VAL A 17 -4.322 2.914 9.219 1.00 0.00 C ATOM 250 O VAL A 17 -3.177 2.870 8.773 1.00 0.00 O ATOM 251 CB VAL A 17 -6.387 1.556 8.584 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.535 0.285 8.625 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.163 1.737 9.889 1.00 0.00 C ATOM 0 H VAL A 17 -4.052 2.633 6.801 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.157 3.657 8.447 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.110 1.449 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.172 -0.573 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.047 0.143 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.778 0.379 9.404 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.768 0.850 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.463 1.882 10.712 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.813 2.608 9.808 1.00 0.00 H new ATOM 263 N GLY A 18 -4.624 3.073 10.500 1.00 0.00 N ATOM 264 CA GLY A 18 -3.582 3.210 11.502 1.00 0.00 C ATOM 265 C GLY A 18 -3.954 2.463 12.785 1.00 0.00 C ATOM 266 O GLY A 18 -4.832 1.603 12.775 1.00 0.00 O ATOM 0 H GLY A 18 -5.575 3.110 10.866 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.642 2.821 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.423 4.265 11.724 1.00 0.00 H new ATOM 366 N GLY A 27 3.083 3.185 11.948 1.00 0.00 N ATOM 367 CA GLY A 27 3.225 2.682 10.591 1.00 0.00 C ATOM 368 C GLY A 27 1.861 2.347 9.985 1.00 0.00 C ATOM 369 O GLY A 27 1.316 1.273 10.232 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.728 3.427 9.974 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.854 1.792 10.593 1.00 0.00 H new ATOM 373 N ILE A 28 1.349 3.286 9.203 1.00 0.00 N ATOM 374 CA ILE A 28 0.060 3.105 8.559 1.00 0.00 C ATOM 375 C ILE A 28 0.098 1.840 7.701 1.00 0.00 C ATOM 376 O ILE A 28 1.088 1.578 7.019 1.00 0.00 O ATOM 377 CB ILE A 28 -0.335 4.363 7.785 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.307 5.596 8.690 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.692 4.184 7.101 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.286 5.441 9.856 1.00 0.00 C ATOM 0 H ILE A 28 1.805 4.176 9.001 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.722 2.961 9.305 1.00 0.00 H new ATOM 0 HB ILE A 28 0.402 4.525 6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.702 5.747 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.563 6.483 8.111 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.948 5.094 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.641 3.347 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.455 3.983 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.247 6.331 10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.297 5.315 9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.012 4.567 10.447 1.00 0.00 H new ATOM 391 N TYR A 29 -0.992 1.089 7.760 1.00 0.00 N ATOM 392 CA TYR A 29 -1.096 -0.143 6.995 1.00 0.00 C ATOM 393 C TYR A 29 -2.416 -0.199 6.224 1.00 0.00 C ATOM 394 O TYR A 29 -3.449 0.247 6.720 1.00 0.00 O ATOM 395 CB TYR A 29 -1.068 -1.279 8.021 1.00 0.00 C ATOM 396 CG TYR A 29 -2.140 -1.163 9.106 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.955 -0.306 10.171 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.294 -1.917 9.020 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.963 -0.197 11.193 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.303 -1.809 10.042 1.00 0.00 C ATOM 401 CZ TYR A 29 -4.088 -0.954 11.077 1.00 0.00 C ATOM 402 OH TYR A 29 -5.041 -0.851 12.042 1.00 0.00 O ATOM 0 H TYR A 29 -1.811 1.310 8.326 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.286 -0.215 6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.194 -2.228 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.087 -1.303 8.495 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.053 0.284 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.440 -2.588 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.830 0.470 12.032 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.209 -2.394 9.987 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.831 -0.096 12.630 1.00 0.00 H new ATOM 411 N ILE A 30 -2.338 -0.753 5.022 1.00 0.00 N ATOM 412 CA ILE A 30 -3.514 -0.874 4.177 1.00 0.00 C ATOM 413 C ILE A 30 -4.678 -1.420 5.006 1.00 0.00 C ATOM 414 O ILE A 30 -4.538 -2.437 5.683 1.00 0.00 O ATOM 415 CB ILE A 30 -3.198 -1.708 2.936 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.159 -1.378 1.793 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.192 -3.203 3.265 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.814 -0.029 1.158 1.00 0.00 C ATOM 0 H ILE A 30 -1.479 -1.123 4.614 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.819 0.104 3.805 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.195 -1.448 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.113 -2.162 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.182 -1.356 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.964 -3.773 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.436 -3.406 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.172 -3.496 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.513 0.181 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.884 0.756 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.799 -0.062 0.762 1.00 0.00 H new ATOM 429 N GLY A 31 -5.801 -0.722 4.925 1.00 0.00 N ATOM 430 CA GLY A 31 -6.989 -1.125 5.657 1.00 0.00 C ATOM 431 C GLY A 31 -7.476 -2.500 5.200 1.00 0.00 C ATOM 432 O GLY A 31 -7.813 -3.349 6.023 1.00 0.00 O ATOM 0 H GLY A 31 -5.913 0.121 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.771 -1.149 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.779 -0.388 5.509 1.00 0.00 H new ATOM 436 N SER A 32 -7.497 -2.678 3.887 1.00 0.00 N ATOM 437 CA SER A 32 -7.936 -3.937 3.309 1.00 0.00 C ATOM 438 C SER A 32 -7.861 -3.866 1.783 1.00 0.00 C ATOM 439 O SER A 32 -7.796 -2.780 1.210 1.00 0.00 O ATOM 440 CB SER A 32 -9.360 -4.280 3.755 1.00 0.00 C ATOM 441 OG SER A 32 -9.373 -5.265 4.784 1.00 0.00 O ATOM 0 H SER A 32 -7.217 -1.971 3.207 1.00 0.00 H new ATOM 0 HA SER A 32 -7.273 -4.726 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.856 -3.377 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.931 -4.641 2.900 1.00 0.00 H new ATOM 0 HG SER A 32 -8.861 -4.940 5.554 1.00 0.00 H new ATOM 446 N ILE A 33 -7.871 -5.039 1.167 1.00 0.00 N ATOM 447 CA ILE A 33 -7.805 -5.125 -0.282 1.00 0.00 C ATOM 448 C ILE A 33 -8.930 -6.030 -0.788 1.00 0.00 C ATOM 449 O ILE A 33 -9.167 -7.102 -0.231 1.00 0.00 O ATOM 450 CB ILE A 33 -6.411 -5.569 -0.729 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.349 -4.555 -0.300 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.376 -5.832 -2.236 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.917 -4.794 1.149 1.00 0.00 C ATOM 0 H ILE A 33 -7.924 -5.938 1.645 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.961 -4.143 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.177 -6.511 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.483 -4.629 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.743 -3.544 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.374 -6.146 -2.527 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.089 -6.618 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.640 -4.920 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.162 -4.060 1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.780 -4.695 1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.501 -5.797 1.244 1.00 0.00 H new ATOM 464 N MET A 34 -9.593 -5.566 -1.837 1.00 0.00 N ATOM 465 CA MET A 34 -10.688 -6.321 -2.424 1.00 0.00 C ATOM 466 C MET A 34 -10.224 -7.713 -2.857 1.00 0.00 C ATOM 467 O MET A 34 -9.904 -7.928 -4.025 1.00 0.00 O ATOM 468 CB MET A 34 -11.237 -5.564 -3.635 1.00 0.00 C ATOM 469 CG MET A 34 -12.203 -4.461 -3.201 1.00 0.00 C ATOM 470 SD MET A 34 -13.863 -5.111 -3.094 1.00 0.00 S ATOM 471 CE MET A 34 -14.763 -3.795 -3.895 1.00 0.00 C ATOM 0 H MET A 34 -9.393 -4.677 -2.296 1.00 0.00 H new ATOM 0 HA MET A 34 -11.469 -6.438 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.413 -5.129 -4.200 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.749 -6.259 -4.301 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.898 -4.058 -2.235 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.171 -3.637 -3.914 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.825 -4.040 -3.915 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.615 -2.866 -3.345 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.400 -3.674 -4.916 1.00 0.00 H new ATOM 595 N ILE A 45 -3.299 -10.048 -0.982 1.00 0.00 N ATOM 596 CA ILE A 45 -2.732 -9.006 -0.142 1.00 0.00 C ATOM 597 C ILE A 45 -3.466 -8.986 1.202 1.00 0.00 C ATOM 598 O ILE A 45 -4.541 -9.569 1.335 1.00 0.00 O ATOM 599 CB ILE A 45 -2.747 -7.662 -0.871 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.775 -7.669 -2.053 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.466 -6.511 0.097 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.369 -8.074 -1.603 1.00 0.00 C ATOM 0 HA ILE A 45 -1.683 -9.215 0.069 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.746 -7.504 -1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.130 -8.361 -2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.744 -6.680 -2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.482 -5.566 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.229 -6.495 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.486 -6.650 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.303 -8.071 -2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.008 -7.366 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.400 -9.074 -1.169 1.00 0.00 H new ATOM 613 N GLU A 46 -2.855 -8.309 2.162 1.00 0.00 N ATOM 614 CA GLU A 46 -3.436 -8.204 3.490 1.00 0.00 C ATOM 615 C GLU A 46 -3.355 -6.762 3.993 1.00 0.00 C ATOM 616 O GLU A 46 -2.697 -5.922 3.379 1.00 0.00 O ATOM 617 CB GLU A 46 -2.752 -9.165 4.465 1.00 0.00 C ATOM 618 CG GLU A 46 -2.049 -10.298 3.715 1.00 0.00 C ATOM 619 CD GLU A 46 -1.496 -11.340 4.690 1.00 0.00 C ATOM 620 OE1 GLU A 46 -0.271 -11.479 4.820 1.00 0.00 O ATOM 621 OE2 GLU A 46 -2.391 -12.019 5.326 1.00 0.00 O ATOM 0 H GLU A 46 -1.963 -7.827 2.047 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.487 -8.487 3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.027 -8.620 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.491 -9.581 5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.749 -10.773 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.237 -9.891 3.112 1.00 0.00 H new ATOM 627 N PRO A 47 -4.049 -6.511 5.135 1.00 0.00 N ATOM 628 CA PRO A 47 -4.061 -5.185 5.728 1.00 0.00 C ATOM 629 C PRO A 47 -2.734 -4.885 6.429 1.00 0.00 C ATOM 630 O PRO A 47 -2.227 -3.767 6.354 1.00 0.00 O ATOM 631 CB PRO A 47 -5.247 -5.190 6.679 1.00 0.00 C ATOM 632 CG PRO A 47 -5.572 -6.653 6.932 1.00 0.00 C ATOM 633 CD PRO A 47 -4.838 -7.481 5.890 1.00 0.00 C ATOM 0 HA PRO A 47 -4.166 -4.394 4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.004 -4.677 7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.100 -4.670 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.265 -6.944 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.647 -6.822 6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.201 -8.232 6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.536 -8.013 5.243 1.00 0.00 H new ATOM 638 N GLY A 48 -2.209 -5.904 7.093 1.00 0.00 N ATOM 639 CA GLY A 48 -0.951 -5.763 7.806 1.00 0.00 C ATOM 640 C GLY A 48 0.238 -5.961 6.863 1.00 0.00 C ATOM 641 O GLY A 48 1.269 -6.498 7.264 1.00 0.00 O ATOM 0 H GLY A 48 -2.632 -6.830 7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.897 -4.775 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.904 -6.492 8.615 1.00 0.00 H new ATOM 645 N ASP A 49 0.055 -5.516 5.629 1.00 0.00 N ATOM 646 CA ASP A 49 1.100 -5.637 4.626 1.00 0.00 C ATOM 647 C ASP A 49 2.105 -4.497 4.803 1.00 0.00 C ATOM 648 O ASP A 49 3.281 -4.645 4.476 1.00 0.00 O ATOM 649 CB ASP A 49 0.521 -5.542 3.213 1.00 0.00 C ATOM 650 CG ASP A 49 0.846 -6.727 2.301 1.00 0.00 C ATOM 651 OD1 ASP A 49 1.238 -6.549 1.138 1.00 0.00 O ATOM 652 OD2 ASP A 49 0.680 -7.889 2.836 1.00 0.00 O ATOM 0 H ASP A 49 -0.802 -5.071 5.300 1.00 0.00 H new ATOM 0 HA ASP A 49 1.580 -6.607 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.562 -5.445 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.892 -4.630 2.745 1.00 0.00 H new ATOM 657 N MET A 50 1.604 -3.385 5.320 1.00 0.00 N ATOM 658 CA MET A 50 2.443 -2.220 5.544 1.00 0.00 C ATOM 659 C MET A 50 2.638 -1.428 4.250 1.00 0.00 C ATOM 660 O MET A 50 3.767 -1.108 3.878 1.00 0.00 O ATOM 661 CB MET A 50 3.805 -2.667 6.080 1.00 0.00 C ATOM 662 CG MET A 50 4.254 -1.781 7.244 1.00 0.00 C ATOM 663 SD MET A 50 3.304 -2.166 8.706 1.00 0.00 S ATOM 664 CE MET A 50 4.226 -1.246 9.926 1.00 0.00 C ATOM 0 H MET A 50 0.628 -3.266 5.590 1.00 0.00 H new ATOM 0 HA MET A 50 1.950 -1.575 6.272 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.748 -3.705 6.409 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.545 -2.627 5.281 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.315 -1.933 7.439 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.126 -0.731 6.983 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.664 -1.214 10.859 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.187 -1.731 10.098 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.391 -0.230 9.567 1.00 0.00 H new ATOM 672 N LEU A 51 1.522 -1.134 3.600 1.00 0.00 N ATOM 673 CA LEU A 51 1.557 -0.385 2.355 1.00 0.00 C ATOM 674 C LEU A 51 1.356 1.102 2.653 1.00 0.00 C ATOM 675 O LEU A 51 0.241 1.613 2.558 1.00 0.00 O ATOM 676 CB LEU A 51 0.544 -0.955 1.359 1.00 0.00 C ATOM 677 CG LEU A 51 0.444 -0.230 0.016 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.520 0.956 0.103 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.827 0.191 -0.485 1.00 0.00 C ATOM 0 H LEU A 51 0.588 -1.401 3.912 1.00 0.00 H new ATOM 0 HA LEU A 51 2.532 -0.485 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.799 -1.998 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.440 -0.948 1.828 1.00 0.00 H new ATOM 0 HG LEU A 51 0.034 -0.925 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.573 1.454 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.511 0.599 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.163 1.660 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.727 0.704 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.288 0.862 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.453 -0.693 -0.611 1.00 0.00 H new ATOM 690 N LEU A 52 2.453 1.755 3.009 1.00 0.00 N ATOM 691 CA LEU A 52 2.412 3.173 3.321 1.00 0.00 C ATOM 692 C LEU A 52 3.452 3.909 2.475 1.00 0.00 C ATOM 693 O LEU A 52 3.641 5.114 2.627 1.00 0.00 O ATOM 694 CB LEU A 52 2.575 3.394 4.826 1.00 0.00 C ATOM 695 CG LEU A 52 4.013 3.552 5.327 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.914 2.451 4.765 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.552 4.949 5.016 1.00 0.00 C ATOM 0 H LEU A 52 3.376 1.328 3.088 1.00 0.00 H new ATOM 0 HA LEU A 52 1.439 3.592 3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.013 4.285 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.119 2.553 5.349 1.00 0.00 H new ATOM 0 HG LEU A 52 4.010 3.443 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.930 2.587 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.539 1.477 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.916 2.503 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.575 5.034 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.538 5.113 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.928 5.697 5.505 1.00 0.00 H new ATOM 708 N GLN A 53 4.098 3.151 1.599 1.00 0.00 N ATOM 709 CA GLN A 53 5.115 3.716 0.728 1.00 0.00 C ATOM 710 C GLN A 53 4.892 3.257 -0.714 1.00 0.00 C ATOM 711 O GLN A 53 4.392 2.158 -0.949 1.00 0.00 O ATOM 712 CB GLN A 53 6.518 3.346 1.211 1.00 0.00 C ATOM 713 CG GLN A 53 6.570 1.893 1.685 1.00 0.00 C ATOM 714 CD GLN A 53 7.635 1.705 2.766 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.124 2.651 3.363 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.969 0.436 2.984 1.00 0.00 N ATOM 0 H GLN A 53 3.937 2.152 1.474 1.00 0.00 H new ATOM 0 HA GLN A 53 5.031 4.802 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.235 3.495 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.813 4.008 2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.595 1.599 2.075 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.785 1.239 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.521 -0.308 2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.673 0.207 3.686 1.00 0.00 H new ATOM 723 N VAL A 54 5.274 4.122 -1.643 1.00 0.00 N ATOM 724 CA VAL A 54 5.121 3.818 -3.056 1.00 0.00 C ATOM 725 C VAL A 54 6.420 4.162 -3.789 1.00 0.00 C ATOM 726 O VAL A 54 7.175 5.028 -3.349 1.00 0.00 O ATOM 727 CB VAL A 54 3.904 4.551 -3.620 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.938 4.575 -5.150 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.603 3.927 -3.111 1.00 0.00 C ATOM 0 H VAL A 54 5.689 5.033 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 54 4.937 2.753 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 54 3.942 5.582 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.061 5.102 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.840 5.086 -5.486 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.937 3.553 -5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.753 4.467 -3.527 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.555 2.883 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.573 3.986 -2.023 1.00 0.00 H new ATOM 739 N ASN A 55 6.639 3.467 -4.895 1.00 0.00 N ATOM 740 CA ASN A 55 7.833 3.689 -5.693 1.00 0.00 C ATOM 741 C ASN A 55 9.024 3.937 -4.765 1.00 0.00 C ATOM 742 O ASN A 55 9.144 3.300 -3.720 1.00 0.00 O ATOM 743 CB ASN A 55 7.673 4.914 -6.596 1.00 0.00 C ATOM 744 CG ASN A 55 8.534 4.786 -7.854 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.729 5.031 -7.847 1.00 0.00 O ATOM 746 ND2 ASN A 55 7.862 4.386 -8.929 1.00 0.00 N ATOM 0 H ASN A 55 6.010 2.750 -5.257 1.00 0.00 H new ATOM 0 HA ASN A 55 7.994 2.805 -6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.626 5.028 -6.878 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.955 5.813 -6.048 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.347 4.267 -9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.862 4.198 -8.864 1.00 0.00 H new ATOM 752 N ASP A 56 9.873 4.865 -5.181 1.00 0.00 N ATOM 753 CA ASP A 56 11.050 5.206 -4.400 1.00 0.00 C ATOM 754 C ASP A 56 10.645 6.138 -3.256 1.00 0.00 C ATOM 755 O ASP A 56 11.501 6.641 -2.528 1.00 0.00 O ATOM 756 CB ASP A 56 12.089 5.932 -5.257 1.00 0.00 C ATOM 757 CG ASP A 56 13.454 5.245 -5.340 1.00 0.00 C ATOM 758 OD1 ASP A 56 13.903 4.601 -4.381 1.00 0.00 O ATOM 759 OD2 ASP A 56 14.071 5.394 -6.463 1.00 0.00 O ATOM 0 H ASP A 56 9.769 5.391 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 56 11.481 4.281 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.692 6.042 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.229 6.937 -4.858 1.00 0.00 H new ATOM 764 N VAL A 57 9.342 6.340 -3.132 1.00 0.00 N ATOM 765 CA VAL A 57 8.813 7.202 -2.090 1.00 0.00 C ATOM 766 C VAL A 57 8.610 6.385 -0.812 1.00 0.00 C ATOM 767 O VAL A 57 8.395 5.176 -0.872 1.00 0.00 O ATOM 768 CB VAL A 57 7.532 7.884 -2.574 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.586 8.167 -1.404 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.851 9.167 -3.345 1.00 0.00 C ATOM 0 H VAL A 57 8.636 5.921 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 57 9.520 7.998 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 57 7.026 7.201 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.683 8.652 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.320 7.229 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.081 8.822 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.923 9.632 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.390 9.857 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.468 8.927 -4.211 1.00 0.00 H new ATOM 780 N ASN A 58 8.685 7.079 0.315 1.00 0.00 N ATOM 781 CA ASN A 58 8.512 6.433 1.604 1.00 0.00 C ATOM 782 C ASN A 58 7.862 7.416 2.579 1.00 0.00 C ATOM 783 O ASN A 58 8.556 8.153 3.278 1.00 0.00 O ATOM 784 CB ASN A 58 9.859 6.006 2.192 1.00 0.00 C ATOM 785 CG ASN A 58 10.522 4.937 1.322 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.007 3.846 1.134 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.690 5.307 0.804 1.00 0.00 N ATOM 0 H ASN A 58 8.863 8.082 0.361 1.00 0.00 H new ATOM 0 HA ASN A 58 7.887 5.552 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.515 6.872 2.273 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.714 5.620 3.201 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.211 4.663 0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.064 6.235 1.001 1.00 0.00 H new ATOM 793 N PHE A 59 6.537 7.396 2.595 1.00 0.00 N ATOM 794 CA PHE A 59 5.785 8.277 3.472 1.00 0.00 C ATOM 795 C PHE A 59 5.821 7.773 4.917 1.00 0.00 C ATOM 796 O PHE A 59 4.778 7.607 5.546 1.00 0.00 O ATOM 797 CB PHE A 59 4.337 8.270 2.978 1.00 0.00 C ATOM 798 CG PHE A 59 4.157 8.840 1.570 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.899 9.906 1.168 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.256 8.279 0.719 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.732 10.434 -0.139 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.089 8.807 -0.588 1.00 0.00 C ATOM 803 CZ PHE A 59 3.830 9.874 -0.989 1.00 0.00 C ATOM 0 H PHE A 59 5.965 6.783 2.014 1.00 0.00 H new ATOM 0 HA PHE A 59 6.216 9.278 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.963 7.246 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.724 8.845 3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.615 10.351 1.843 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.667 7.431 1.038 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.321 11.281 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.374 8.361 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.702 10.277 -1.983 1.00 0.00 H new ATOM 812 N GLU A 60 7.034 7.544 5.400 1.00 0.00 N ATOM 813 CA GLU A 60 7.220 7.063 6.758 1.00 0.00 C ATOM 814 C GLU A 60 6.750 8.115 7.763 1.00 0.00 C ATOM 815 O GLU A 60 5.682 7.978 8.358 1.00 0.00 O ATOM 816 CB GLU A 60 8.680 6.679 7.008 1.00 0.00 C ATOM 817 CG GLU A 60 9.077 5.459 6.174 1.00 0.00 C ATOM 818 CD GLU A 60 9.138 4.199 7.039 1.00 0.00 C ATOM 819 OE1 GLU A 60 9.967 4.117 7.958 1.00 0.00 O ATOM 820 OE2 GLU A 60 8.282 3.283 6.731 1.00 0.00 O ATOM 0 H GLU A 60 7.897 7.683 4.875 1.00 0.00 H new ATOM 0 HA GLU A 60 6.615 6.166 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.328 7.520 6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.827 6.464 8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.358 5.316 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.047 5.632 5.709 1.00 0.00 H new ATOM 826 N ASN A 61 7.570 9.144 7.921 1.00 0.00 N ATOM 827 CA ASN A 61 7.251 10.220 8.845 1.00 0.00 C ATOM 828 C ASN A 61 5.782 10.614 8.673 1.00 0.00 C ATOM 829 O ASN A 61 5.149 11.088 9.616 1.00 0.00 O ATOM 830 CB ASN A 61 8.108 11.456 8.567 1.00 0.00 C ATOM 831 CG ASN A 61 7.985 11.892 7.105 1.00 0.00 C ATOM 832 OD1 ASN A 61 8.515 11.270 6.199 1.00 0.00 O ATOM 833 ND2 ASN A 61 7.256 12.991 6.928 1.00 0.00 N ATOM 0 H ASN A 61 8.454 9.256 7.425 1.00 0.00 H new ATOM 0 HA ASN A 61 7.447 9.866 9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 61 7.799 12.272 9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.151 11.239 8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.112 13.362 5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.841 13.462 7.732 1.00 0.00 H new ATOM 839 N MET A 62 5.284 10.405 7.464 1.00 0.00 N ATOM 840 CA MET A 62 3.901 10.732 7.158 1.00 0.00 C ATOM 841 C MET A 62 2.943 10.007 8.105 1.00 0.00 C ATOM 842 O MET A 62 2.491 10.579 9.095 1.00 0.00 O ATOM 843 CB MET A 62 3.591 10.335 5.714 1.00 0.00 C ATOM 844 CG MET A 62 3.367 11.572 4.841 1.00 0.00 C ATOM 845 SD MET A 62 1.724 11.539 4.144 1.00 0.00 S ATOM 846 CE MET A 62 2.091 10.906 2.516 1.00 0.00 C ATOM 0 H MET A 62 5.813 10.013 6.684 1.00 0.00 H new ATOM 0 HA MET A 62 3.764 11.806 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.414 9.745 5.311 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.704 9.703 5.689 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.500 12.476 5.436 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.109 11.603 4.043 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.387 11.324 1.796 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.106 11.188 2.236 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.004 9.819 2.520 1.00 0.00 H new ATOM 854 N SER A 63 2.661 8.757 7.767 1.00 0.00 N ATOM 855 CA SER A 63 1.764 7.947 8.574 1.00 0.00 C ATOM 856 C SER A 63 0.676 8.828 9.189 1.00 0.00 C ATOM 857 O SER A 63 0.428 8.767 10.392 1.00 0.00 O ATOM 858 CB SER A 63 2.530 7.206 9.671 1.00 0.00 C ATOM 859 OG SER A 63 1.675 6.798 10.736 1.00 0.00 O ATOM 0 H SER A 63 3.038 8.285 6.945 1.00 0.00 H new ATOM 0 HA SER A 63 1.298 7.203 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.020 6.331 9.244 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.316 7.851 10.064 1.00 0.00 H new ATOM 0 HG SER A 63 1.141 7.562 11.038 1.00 0.00 H new ATOM 864 N ASN A 64 0.053 9.627 8.335 1.00 0.00 N ATOM 865 CA ASN A 64 -1.005 10.519 8.780 1.00 0.00 C ATOM 866 C ASN A 64 -2.354 9.811 8.645 1.00 0.00 C ATOM 867 O ASN A 64 -3.381 10.457 8.443 1.00 0.00 O ATOM 868 CB ASN A 64 -1.049 11.789 7.927 1.00 0.00 C ATOM 869 CG ASN A 64 -1.367 13.015 8.785 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.509 13.310 9.093 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.294 13.711 9.152 1.00 0.00 N ATOM 0 H ASN A 64 0.260 9.675 7.337 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.806 10.788 9.817 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.090 11.929 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.802 11.681 7.147 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.400 14.547 9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.635 13.408 8.859 1.00 0.00 H new ATOM 877 N ASP A 65 -2.308 8.492 8.764 1.00 0.00 N ATOM 878 CA ASP A 65 -3.515 7.688 8.658 1.00 0.00 C ATOM 879 C ASP A 65 -4.411 8.266 7.560 1.00 0.00 C ATOM 880 O ASP A 65 -5.635 8.166 7.637 1.00 0.00 O ATOM 881 CB ASP A 65 -4.303 7.704 9.968 1.00 0.00 C ATOM 882 CG ASP A 65 -5.302 6.558 10.135 1.00 0.00 C ATOM 883 OD1 ASP A 65 -5.468 6.009 11.235 1.00 0.00 O ATOM 884 OD2 ASP A 65 -5.936 6.227 9.061 1.00 0.00 O ATOM 0 H ASP A 65 -1.454 7.960 8.933 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.220 6.664 8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.598 7.676 10.799 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.842 8.649 10.039 1.00 0.00 H new ATOM 889 N ASP A 66 -3.768 8.855 6.563 1.00 0.00 N ATOM 890 CA ASP A 66 -4.492 9.448 5.451 1.00 0.00 C ATOM 891 C ASP A 66 -3.514 9.747 4.314 1.00 0.00 C ATOM 892 O ASP A 66 -3.705 10.701 3.560 1.00 0.00 O ATOM 893 CB ASP A 66 -5.154 10.763 5.864 1.00 0.00 C ATOM 894 CG ASP A 66 -6.169 10.647 7.002 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.925 11.110 8.127 1.00 0.00 O ATOM 896 OD2 ASP A 66 -7.267 10.042 6.695 1.00 0.00 O ATOM 0 H ASP A 66 -2.753 8.935 6.502 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.260 8.743 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.376 11.466 6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.653 11.190 4.994 1.00 0.00 H new ATOM 901 N ALA A 67 -2.485 8.916 4.225 1.00 0.00 N ATOM 902 CA ALA A 67 -1.477 9.080 3.192 1.00 0.00 C ATOM 903 C ALA A 67 -2.137 8.959 1.817 1.00 0.00 C ATOM 904 O ALA A 67 -1.543 9.329 0.804 1.00 0.00 O ATOM 905 CB ALA A 67 -0.363 8.052 3.397 1.00 0.00 C ATOM 0 H ALA A 67 -2.328 8.127 4.852 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.023 10.069 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.393 8.175 2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.093 8.200 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.781 7.047 3.340 1.00 0.00 H new ATOM 911 N VAL A 68 -3.356 8.440 1.824 1.00 0.00 N ATOM 912 CA VAL A 68 -4.103 8.265 0.591 1.00 0.00 C ATOM 913 C VAL A 68 -4.272 9.621 -0.094 1.00 0.00 C ATOM 914 O VAL A 68 -4.135 9.728 -1.313 1.00 0.00 O ATOM 915 CB VAL A 68 -5.436 7.571 0.880 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.488 7.950 -0.163 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.258 6.053 0.955 1.00 0.00 C ATOM 0 H VAL A 68 -3.845 8.135 2.665 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.558 7.619 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.790 7.915 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.426 7.443 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.645 9.029 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.144 7.648 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.220 5.584 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.871 5.685 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.556 5.808 1.752 1.00 0.00 H new ATOM 927 N ARG A 69 -4.567 10.626 0.717 1.00 0.00 N ATOM 928 CA ARG A 69 -4.757 11.972 0.204 1.00 0.00 C ATOM 929 C ARG A 69 -3.680 12.302 -0.831 1.00 0.00 C ATOM 930 O ARG A 69 -3.885 13.151 -1.697 1.00 0.00 O ATOM 931 CB ARG A 69 -4.703 13.004 1.332 1.00 0.00 C ATOM 932 CG ARG A 69 -4.766 14.429 0.776 1.00 0.00 C ATOM 933 CD ARG A 69 -5.810 15.262 1.521 1.00 0.00 C ATOM 934 NE ARG A 69 -7.011 15.440 0.674 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.235 15.753 1.152 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.429 15.927 2.477 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.238 15.888 0.305 1.00 0.00 N ATOM 0 H ARG A 69 -4.679 10.535 1.727 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.741 12.013 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.533 12.841 2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.785 12.874 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.788 14.901 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.010 14.398 -0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.082 14.769 2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.392 16.234 1.784 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.908 15.319 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.648 15.822 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.356 16.163 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.083 15.756 -0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.168 16.124 0.650 1.00 0.00 H new ATOM 947 N VAL A 70 -2.554 11.615 -0.706 1.00 0.00 N ATOM 948 CA VAL A 70 -1.444 11.823 -1.621 1.00 0.00 C ATOM 949 C VAL A 70 -1.303 10.603 -2.532 1.00 0.00 C ATOM 950 O VAL A 70 -1.150 10.743 -3.745 1.00 0.00 O ATOM 951 CB VAL A 70 -0.169 12.133 -0.833 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.936 11.127 -1.163 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.300 13.566 -1.091 1.00 0.00 C ATOM 0 H VAL A 70 -2.386 10.914 0.015 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.633 12.685 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.400 12.042 0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.831 11.369 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.602 10.122 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.163 11.173 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.207 13.760 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.506 13.696 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.479 14.264 -0.784 1.00 0.00 H new ATOM 963 N LEU A 71 -1.358 9.433 -1.914 1.00 0.00 N ATOM 964 CA LEU A 71 -1.238 8.188 -2.654 1.00 0.00 C ATOM 965 C LEU A 71 -2.216 8.203 -3.830 1.00 0.00 C ATOM 966 O LEU A 71 -1.879 7.763 -4.928 1.00 0.00 O ATOM 967 CB LEU A 71 -1.418 6.990 -1.720 1.00 0.00 C ATOM 968 CG LEU A 71 -0.325 5.921 -1.783 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.638 6.051 -0.601 1.00 0.00 C ATOM 970 CD2 LEU A 71 -0.933 4.519 -1.876 1.00 0.00 C ATOM 0 H LEU A 71 -1.484 9.320 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.237 8.089 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.480 7.359 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.374 6.518 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 71 0.256 6.080 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.405 5.279 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.109 7.034 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.087 5.932 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.135 3.778 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.554 4.333 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.544 4.447 -2.775 1.00 0.00 H new ATOM 981 N ARG A 72 -3.409 8.715 -3.561 1.00 0.00 N ATOM 982 CA ARG A 72 -4.438 8.793 -4.583 1.00 0.00 C ATOM 983 C ARG A 72 -4.017 9.766 -5.686 1.00 0.00 C ATOM 984 O ARG A 72 -4.560 9.731 -6.790 1.00 0.00 O ATOM 985 CB ARG A 72 -5.771 9.252 -3.988 1.00 0.00 C ATOM 986 CG ARG A 72 -6.850 9.350 -5.070 1.00 0.00 C ATOM 987 CD ARG A 72 -8.217 9.653 -4.455 1.00 0.00 C ATOM 988 NE ARG A 72 -9.287 9.042 -5.275 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.713 7.769 -5.137 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.163 6.959 -4.207 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.676 7.327 -5.923 1.00 0.00 N ATOM 0 H ARG A 72 -3.685 9.080 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.565 7.795 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.089 8.552 -3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.644 10.222 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.586 10.132 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.897 8.414 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.261 9.265 -3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.366 10.731 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.730 9.619 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.420 7.308 -3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.491 5.998 -4.109 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.087 7.945 -6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.009 6.367 -5.831 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.053 10.610 -5.351 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.554 11.591 -6.299 1.00 0.00 C ATOM 1003 C GLU A 73 -1.565 10.937 -7.267 1.00 0.00 C ATOM 1004 O GLU A 73 -1.305 11.467 -8.345 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.911 12.775 -5.576 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.385 12.711 -5.667 1.00 0.00 C ATOM 1007 CD GLU A 73 0.254 13.952 -5.041 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.199 15.078 -5.293 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.258 13.716 -4.264 1.00 0.00 O ATOM 0 H GLU A 73 -2.604 10.635 -4.436 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.397 11.974 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.266 13.708 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.217 12.776 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.024 11.816 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.082 12.629 -6.711 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.042 9.795 -6.846 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.087 9.064 -7.662 1.00 0.00 C ATOM 1017 C ILE A 74 -0.789 8.546 -8.918 1.00 0.00 C ATOM 1018 O ILE A 74 -0.867 9.248 -9.925 1.00 0.00 O ATOM 1019 CB ILE A 74 0.590 7.966 -6.839 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.165 8.532 -5.539 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.653 7.238 -7.666 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.629 8.940 -5.719 1.00 0.00 C ATOM 0 H ILE A 74 -1.261 9.358 -5.951 1.00 0.00 H new ATOM 0 HA ILE A 74 0.715 9.723 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.165 7.230 -6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.579 9.395 -5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.086 7.787 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.119 6.463 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.186 6.783 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.412 7.950 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.014 9.339 -4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.216 8.069 -6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.701 9.703 -6.494 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.283 7.320 -8.819 1.00 0.00 N ATOM 1034 CA VAL A 75 -1.976 6.700 -9.935 1.00 0.00 C ATOM 1035 C VAL A 75 -2.830 7.750 -10.647 1.00 0.00 C ATOM 1036 O VAL A 75 -2.925 7.750 -11.874 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.789 5.500 -9.444 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.003 4.198 -9.613 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.228 5.692 -7.991 1.00 0.00 C ATOM 0 H VAL A 75 -1.217 6.740 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.261 6.316 -10.663 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.687 5.430 -10.058 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.604 3.361 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.765 4.051 -10.666 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.079 4.253 -9.037 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.804 4.825 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.348 5.801 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.845 6.587 -7.913 1.00 0.00 H new ATOM 1049 N SER A 76 -3.430 8.619 -9.847 1.00 0.00 N ATOM 1050 CA SER A 76 -4.273 9.673 -10.386 1.00 0.00 C ATOM 1051 C SER A 76 -3.520 10.443 -11.473 1.00 0.00 C ATOM 1052 O SER A 76 -3.952 10.482 -12.623 1.00 0.00 O ATOM 1053 CB SER A 76 -4.734 10.627 -9.283 1.00 0.00 C ATOM 1054 OG SER A 76 -5.196 11.869 -9.809 1.00 0.00 O ATOM 0 H SER A 76 -3.349 8.615 -8.830 1.00 0.00 H new ATOM 0 HA SER A 76 -5.158 9.212 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.532 10.158 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.910 10.810 -8.594 1.00 0.00 H new ATOM 0 HG SER A 76 -5.483 12.449 -9.073 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.406 11.035 -11.069 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.588 11.801 -11.994 1.00 0.00 C ATOM 1061 C GLN A 77 -0.114 11.420 -11.841 1.00 0.00 C ATOM 1062 O GLN A 77 0.260 10.270 -12.067 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.789 13.304 -11.789 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.248 13.699 -12.029 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.344 14.880 -12.998 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.424 15.667 -13.150 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.505 14.958 -13.642 1.00 0.00 N ATOM 0 H GLN A 77 -2.050 11.000 -10.114 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.902 11.561 -13.010 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.496 13.579 -10.776 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.142 13.857 -12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.797 12.848 -12.432 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.718 13.962 -11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.233 14.265 -13.467 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.668 15.711 -14.311 1.00 0.00 H new ATOM 1074 N THR A 78 0.683 12.406 -11.456 1.00 0.00 N ATOM 1075 CA THR A 78 2.107 12.188 -11.270 1.00 0.00 C ATOM 1076 C THR A 78 2.348 10.995 -10.345 1.00 0.00 C ATOM 1077 O THR A 78 1.407 10.294 -9.972 1.00 0.00 O ATOM 1078 CB THR A 78 2.721 13.492 -10.754 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.987 13.773 -9.565 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.422 14.682 -11.667 1.00 0.00 C ATOM 0 H THR A 78 0.369 13.358 -11.268 1.00 0.00 H new ATOM 0 HA THR A 78 2.594 11.932 -12.211 1.00 0.00 H new ATOM 0 HB THR A 78 3.800 13.372 -10.657 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.321 14.602 -9.163 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.880 15.581 -11.255 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.829 14.490 -12.660 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.344 14.824 -11.738 1.00 0.00 H new ATOM 1088 N GLY A 79 3.612 10.799 -10.000 1.00 0.00 N ATOM 1089 CA GLY A 79 3.988 9.701 -9.125 1.00 0.00 C ATOM 1090 C GLY A 79 3.913 8.362 -9.861 1.00 0.00 C ATOM 1091 O GLY A 79 2.834 7.932 -10.266 1.00 0.00 O ATOM 0 H GLY A 79 4.389 11.382 -10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.000 9.859 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.328 9.680 -8.258 1.00 0.00 H new ATOM 1095 N PRO A 80 5.103 7.724 -10.017 1.00 0.00 N ATOM 1096 CA PRO A 80 5.182 6.443 -10.697 1.00 0.00 C ATOM 1097 C PRO A 80 4.655 5.316 -9.807 1.00 0.00 C ATOM 1098 O PRO A 80 4.819 5.355 -8.589 1.00 0.00 O ATOM 1099 CB PRO A 80 6.650 6.279 -11.058 1.00 0.00 C ATOM 1100 CG PRO A 80 7.409 7.246 -10.164 1.00 0.00 C ATOM 1101 CD PRO A 80 6.401 8.204 -9.552 1.00 0.00 C ATOM 0 HA PRO A 80 4.559 6.402 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.981 5.253 -10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.821 6.504 -12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.944 6.705 -9.384 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.155 7.794 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.459 8.197 -8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.583 9.229 -9.875 1.00 0.00 H new ATOM 1106 N ILE A 81 4.034 4.338 -10.450 1.00 0.00 N ATOM 1107 CA ILE A 81 3.482 3.203 -9.731 1.00 0.00 C ATOM 1108 C ILE A 81 4.624 2.301 -9.257 1.00 0.00 C ATOM 1109 O ILE A 81 5.655 2.199 -9.920 1.00 0.00 O ATOM 1110 CB ILE A 81 2.444 2.478 -10.590 1.00 0.00 C ATOM 1111 CG1 ILE A 81 1.032 2.986 -10.288 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.555 0.962 -10.423 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.078 2.674 -11.442 1.00 0.00 C ATOM 0 H ILE A 81 3.901 4.308 -11.461 1.00 0.00 H new ATOM 0 HA ILE A 81 2.949 3.539 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 81 2.651 2.702 -11.637 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.664 2.524 -9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.058 4.062 -10.114 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.806 0.472 -11.045 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.549 0.634 -10.727 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.389 0.698 -9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.918 3.046 -11.201 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.436 3.158 -12.351 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.035 1.596 -11.597 1.00 0.00 H new ATOM 1124 N SER A 82 4.402 1.672 -8.113 1.00 0.00 N ATOM 1125 CA SER A 82 5.399 0.782 -7.542 1.00 0.00 C ATOM 1126 C SER A 82 5.242 0.726 -6.021 1.00 0.00 C ATOM 1127 O SER A 82 6.207 0.925 -5.286 1.00 0.00 O ATOM 1128 CB SER A 82 6.815 1.232 -7.913 1.00 0.00 C ATOM 1129 OG SER A 82 7.283 0.595 -9.099 1.00 0.00 O ATOM 0 H SER A 82 3.546 1.761 -7.565 1.00 0.00 H new ATOM 0 HA SER A 82 5.243 -0.215 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.827 2.313 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.494 1.009 -7.090 1.00 0.00 H new ATOM 0 HG SER A 82 6.825 0.976 -9.877 1.00 0.00 H new ATOM 1134 N LEU A 83 4.017 0.455 -5.595 1.00 0.00 N ATOM 1135 CA LEU A 83 3.720 0.371 -4.175 1.00 0.00 C ATOM 1136 C LEU A 83 4.919 -0.235 -3.443 1.00 0.00 C ATOM 1137 O LEU A 83 5.680 -1.007 -4.024 1.00 0.00 O ATOM 1138 CB LEU A 83 2.412 -0.388 -3.945 1.00 0.00 C ATOM 1139 CG LEU A 83 1.203 0.100 -4.747 1.00 0.00 C ATOM 1140 CD1 LEU A 83 -0.106 -0.321 -4.077 1.00 0.00 C ATOM 1141 CD2 LEU A 83 1.270 1.611 -4.974 1.00 0.00 C ATOM 0 H LEU A 83 3.219 0.291 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 83 3.561 1.366 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.579 -1.439 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.165 -0.334 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 83 1.230 -0.375 -5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.949 0.038 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.147 -1.408 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.156 0.106 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.399 1.932 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.281 2.123 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.177 1.856 -5.526 1.00 0.00 H new ATOM 1152 N THR A 84 5.050 0.137 -2.178 1.00 0.00 N ATOM 1153 CA THR A 84 6.143 -0.360 -1.361 1.00 0.00 C ATOM 1154 C THR A 84 5.667 -0.611 0.072 1.00 0.00 C ATOM 1155 O THR A 84 4.887 0.170 0.616 1.00 0.00 O ATOM 1156 CB THR A 84 7.295 0.642 -1.452 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.700 0.584 -2.816 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.532 0.185 -0.676 1.00 0.00 C ATOM 0 H THR A 84 4.417 0.777 -1.699 1.00 0.00 H new ATOM 0 HA THR A 84 6.502 -1.323 -1.724 1.00 0.00 H new ATOM 0 HB THR A 84 6.965 1.609 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.150 1.420 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.319 0.932 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.277 0.063 0.377 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.882 -0.766 -1.077 1.00 0.00 H new ATOM 1166 N VAL A 85 6.156 -1.703 0.641 1.00 0.00 N ATOM 1167 CA VAL A 85 5.790 -2.066 2.000 1.00 0.00 C ATOM 1168 C VAL A 85 7.037 -2.535 2.751 1.00 0.00 C ATOM 1169 O VAL A 85 7.989 -3.020 2.139 1.00 0.00 O ATOM 1170 CB VAL A 85 4.675 -3.112 1.980 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.510 -2.654 1.100 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.207 -4.472 1.522 1.00 0.00 C ATOM 0 H VAL A 85 6.802 -2.348 0.186 1.00 0.00 H new ATOM 0 HA VAL A 85 5.396 -1.201 2.533 1.00 0.00 H new ATOM 0 HB VAL A 85 4.302 -3.224 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.730 -3.416 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.106 -1.720 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.863 -2.500 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.394 -5.198 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.619 -4.382 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.987 -4.806 2.206 1.00 0.00 H new ATOM 1182 N ALA A 86 6.993 -2.377 4.065 1.00 0.00 N ATOM 1183 CA ALA A 86 8.108 -2.779 4.906 1.00 0.00 C ATOM 1184 C ALA A 86 7.722 -4.034 5.691 1.00 0.00 C ATOM 1185 O ALA A 86 8.082 -4.176 6.859 1.00 0.00 O ATOM 1186 CB ALA A 86 8.503 -1.618 5.821 1.00 0.00 C ATOM 0 H ALA A 86 6.202 -1.976 4.569 1.00 0.00 H new ATOM 0 HA ALA A 86 8.978 -3.025 4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.339 -1.920 6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.796 -0.761 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.655 -1.345 6.449 1.00 0.00 H new