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= -6.59! K(o=-8.9!,f=-4.9) USER MOD Set 1.2: A 58 ASN : amide:sc= -2.33 K(o=-8.9,f=-7.8!) 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 30:sc= 0.744 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 -158:sc= -0.557 (180deg=-1.22) USER MOD Single : A 55 ASN : amide:sc= -4.84! C(o=-4.8!,f=-9.2!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -106:sc= -8.01! (180deg=-10.7!) USER MOD Single : A 63 SER OG : rot -61:sc= 1.11 USER MOD Single : A 64 ASN : amide:sc= -0.748 K(o=-0.75,f=0.6) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 82 SER OG : rot 58:sc= 1 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.177 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.103 -4.948 -3.473 1.00 0.00 N ATOM 16 CA VAL A 2 5.739 -5.724 -4.645 1.00 0.00 C ATOM 17 C VAL A 2 5.660 -4.797 -5.861 1.00 0.00 C ATOM 18 O VAL A 2 4.985 -3.769 -5.818 1.00 0.00 O ATOM 19 CB VAL A 2 4.436 -6.484 -4.388 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.963 -7.205 -5.651 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.594 -7.464 -3.224 1.00 0.00 C ATOM 0 HA VAL A 2 6.501 -6.475 -4.856 1.00 0.00 H new ATOM 0 HB VAL A 2 3.673 -5.756 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.035 -7.737 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.792 -6.476 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.725 -7.916 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.654 -7.991 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.378 -8.184 -3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.863 -6.916 -2.321 1.00 0.00 H new ATOM 31 N THR A 3 6.360 -5.193 -6.913 1.00 0.00 N ATOM 32 CA THR A 3 6.377 -4.411 -8.137 1.00 0.00 C ATOM 33 C THR A 3 5.461 -5.043 -9.188 1.00 0.00 C ATOM 34 O THR A 3 5.866 -5.964 -9.896 1.00 0.00 O ATOM 35 CB THR A 3 7.831 -4.283 -8.597 1.00 0.00 C ATOM 36 OG1 THR A 3 8.440 -3.469 -7.599 1.00 0.00 O ATOM 37 CG2 THR A 3 7.970 -3.465 -9.882 1.00 0.00 C ATOM 0 H THR A 3 6.920 -6.045 -6.943 1.00 0.00 H new ATOM 0 HA THR A 3 5.984 -3.408 -7.970 1.00 0.00 H new ATOM 0 HB THR A 3 8.251 -5.277 -8.754 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.386 -3.336 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.021 -3.406 -10.164 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.407 -3.946 -10.682 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.581 -2.460 -9.717 1.00 0.00 H new ATOM 201 N ILE A 14 -8.195 0.300 -2.651 1.00 0.00 N ATOM 202 CA ILE A 14 -7.490 -0.027 -1.425 1.00 0.00 C ATOM 203 C ILE A 14 -7.861 0.988 -0.341 1.00 0.00 C ATOM 204 O ILE A 14 -8.579 1.950 -0.606 1.00 0.00 O ATOM 205 CB ILE A 14 -5.985 -0.128 -1.682 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.518 0.969 -2.642 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.606 -1.525 -2.181 1.00 0.00 C ATOM 208 CD1 ILE A 14 -4.117 1.459 -2.273 1.00 0.00 C ATOM 0 HA ILE A 14 -7.795 -1.008 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.466 0.028 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.517 0.588 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.218 1.804 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.531 -1.570 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.883 -2.267 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.134 -1.735 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.809 2.238 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.127 1.862 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.415 0.627 -2.325 1.00 0.00 H new ATOM 219 N SER A 15 -7.354 0.737 0.857 1.00 0.00 N ATOM 220 CA SER A 15 -7.623 1.617 1.982 1.00 0.00 C ATOM 221 C SER A 15 -6.493 1.515 3.009 1.00 0.00 C ATOM 222 O SER A 15 -5.835 0.481 3.111 1.00 0.00 O ATOM 223 CB SER A 15 -8.966 1.282 2.635 1.00 0.00 C ATOM 224 OG SER A 15 -9.946 2.285 2.386 1.00 0.00 O ATOM 0 H SER A 15 -6.759 -0.063 1.073 1.00 0.00 H new ATOM 0 HA SER A 15 -7.676 2.640 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.324 0.324 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.828 1.169 3.710 1.00 0.00 H new ATOM 0 HG SER A 15 -10.789 2.033 2.818 1.00 0.00 H new ATOM 229 N ILE A 16 -6.304 2.601 3.743 1.00 0.00 N ATOM 230 CA ILE A 16 -5.265 2.646 4.759 1.00 0.00 C ATOM 231 C ILE A 16 -5.910 2.591 6.145 1.00 0.00 C ATOM 232 O ILE A 16 -7.135 2.574 6.263 1.00 0.00 O ATOM 233 CB ILE A 16 -4.363 3.863 4.548 1.00 0.00 C ATOM 234 CG1 ILE A 16 -5.171 5.161 4.603 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.567 3.738 3.247 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.625 6.103 5.678 1.00 0.00 C ATOM 0 H ILE A 16 -6.852 3.457 3.655 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.613 1.776 4.676 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.642 3.898 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.139 5.655 3.632 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.217 4.934 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.934 4.617 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.944 2.845 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.255 3.664 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.218 7.018 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.681 5.616 6.651 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.587 6.348 5.454 1.00 0.00 H new ATOM 247 N VAL A 17 -5.058 2.566 7.158 1.00 0.00 N ATOM 248 CA VAL A 17 -5.529 2.514 8.532 1.00 0.00 C ATOM 249 C VAL A 17 -4.339 2.662 9.481 1.00 0.00 C ATOM 250 O VAL A 17 -3.191 2.708 9.041 1.00 0.00 O ATOM 251 CB VAL A 17 -6.322 1.226 8.764 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.401 0.004 8.753 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.119 1.300 10.069 1.00 0.00 C ATOM 0 H VAL A 17 -4.043 2.581 7.055 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.210 3.341 8.734 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.031 1.118 7.943 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.991 -0.897 8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.899 -0.065 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.657 0.102 9.543 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.673 0.372 10.210 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.435 1.445 10.905 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.817 2.136 10.022 1.00 0.00 H new ATOM 263 N GLY A 18 -4.653 2.732 10.767 1.00 0.00 N ATOM 264 CA GLY A 18 -3.624 2.875 11.782 1.00 0.00 C ATOM 265 C GLY A 18 -4.021 2.154 13.071 1.00 0.00 C ATOM 266 O GLY A 18 -5.004 1.414 13.095 1.00 0.00 O ATOM 0 H GLY A 18 -5.606 2.692 11.129 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.683 2.470 11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.457 3.932 11.989 1.00 0.00 H new ATOM 366 N GLY A 27 2.372 3.424 12.457 1.00 0.00 N ATOM 367 CA GLY A 27 2.700 2.816 11.179 1.00 0.00 C ATOM 368 C GLY A 27 1.433 2.480 10.390 1.00 0.00 C ATOM 369 O GLY A 27 0.961 1.344 10.420 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.325 3.495 10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.282 1.909 11.342 1.00 0.00 H new ATOM 373 N ILE A 28 0.918 3.489 9.702 1.00 0.00 N ATOM 374 CA ILE A 28 -0.286 3.314 8.907 1.00 0.00 C ATOM 375 C ILE A 28 -0.090 2.141 7.943 1.00 0.00 C ATOM 376 O ILE A 28 0.965 2.011 7.326 1.00 0.00 O ATOM 377 CB ILE A 28 -0.664 4.624 8.212 1.00 0.00 C ATOM 378 CG1 ILE A 28 -1.006 5.708 9.235 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.797 4.405 7.208 1.00 0.00 C ATOM 380 CD1 ILE A 28 -2.364 5.438 9.888 1.00 0.00 C ATOM 0 H ILE A 28 1.312 4.430 9.679 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.132 3.063 9.547 1.00 0.00 H new ATOM 0 HB ILE A 28 0.201 4.974 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.232 5.747 10.001 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.021 6.682 8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.046 5.352 6.728 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.479 3.687 6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.674 4.020 7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.583 6.224 10.611 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.140 5.424 9.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.338 4.474 10.396 1.00 0.00 H new ATOM 391 N TYR A 29 -1.123 1.318 7.846 1.00 0.00 N ATOM 392 CA TYR A 29 -1.078 0.160 6.969 1.00 0.00 C ATOM 393 C TYR A 29 -2.392 0.003 6.201 1.00 0.00 C ATOM 394 O TYR A 29 -3.425 0.525 6.616 1.00 0.00 O ATOM 395 CB TYR A 29 -0.885 -1.053 7.880 1.00 0.00 C ATOM 396 CG TYR A 29 -1.879 -1.122 9.042 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.826 -0.183 10.052 1.00 0.00 C ATOM 398 CD2 TYR A 29 -2.828 -2.124 9.080 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.762 -0.249 11.145 1.00 0.00 C ATOM 400 CE2 TYR A 29 -3.763 -2.189 10.173 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.684 -1.249 11.151 1.00 0.00 C ATOM 402 OH TYR A 29 -4.567 -1.310 12.185 1.00 0.00 O ATOM 0 H TYR A 29 -1.997 1.430 8.360 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.277 0.264 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.975 -1.961 7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.128 -1.035 8.282 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.083 0.601 10.023 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.869 -2.859 8.290 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.732 0.479 11.942 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.510 -2.967 10.215 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.740 -0.406 12.521 1.00 0.00 H new ATOM 411 N ILE A 30 -2.310 -0.720 5.094 1.00 0.00 N ATOM 412 CA ILE A 30 -3.479 -0.953 4.263 1.00 0.00 C ATOM 413 C ILE A 30 -4.594 -1.559 5.119 1.00 0.00 C ATOM 414 O ILE A 30 -4.430 -2.641 5.681 1.00 0.00 O ATOM 415 CB ILE A 30 -3.111 -1.800 3.044 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.010 -1.466 1.853 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.139 -3.292 3.382 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.633 -0.115 1.242 1.00 0.00 C ATOM 0 H ILE A 30 -1.452 -1.153 4.753 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.857 -0.011 3.865 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.089 -1.555 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.924 -2.247 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.052 -1.446 2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.873 -3.871 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.424 -3.498 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.140 -3.572 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.288 0.098 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.744 0.667 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.598 -0.146 0.900 1.00 0.00 H new ATOM 429 N GLY A 31 -5.702 -0.836 5.189 1.00 0.00 N ATOM 430 CA GLY A 31 -6.843 -1.289 5.966 1.00 0.00 C ATOM 431 C GLY A 31 -7.342 -2.647 5.468 1.00 0.00 C ATOM 432 O GLY A 31 -7.638 -3.534 6.266 1.00 0.00 O ATOM 0 H GLY A 31 -5.834 0.060 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.565 -1.363 7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.647 -0.556 5.900 1.00 0.00 H new ATOM 436 N SER A 32 -7.420 -2.765 4.151 1.00 0.00 N ATOM 437 CA SER A 32 -7.878 -4.000 3.536 1.00 0.00 C ATOM 438 C SER A 32 -7.870 -3.859 2.013 1.00 0.00 C ATOM 439 O SER A 32 -7.851 -2.747 1.488 1.00 0.00 O ATOM 440 CB SER A 32 -9.277 -4.373 4.028 1.00 0.00 C ATOM 441 OG SER A 32 -10.265 -3.445 3.585 1.00 0.00 O ATOM 0 H SER A 32 -7.174 -2.026 3.492 1.00 0.00 H new ATOM 0 HA SER A 32 -7.196 -4.800 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.532 -5.371 3.672 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.279 -4.413 5.117 1.00 0.00 H new ATOM 0 HG SER A 32 -11.145 -3.719 3.919 1.00 0.00 H new ATOM 446 N ILE A 33 -7.884 -5.004 1.345 1.00 0.00 N ATOM 447 CA ILE A 33 -7.880 -5.023 -0.108 1.00 0.00 C ATOM 448 C ILE A 33 -8.991 -5.950 -0.605 1.00 0.00 C ATOM 449 O ILE A 33 -9.076 -7.104 -0.186 1.00 0.00 O ATOM 450 CB ILE A 33 -6.491 -5.392 -0.634 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.432 -4.416 -0.115 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.489 -5.480 -2.161 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.978 -4.799 1.295 1.00 0.00 C ATOM 0 H ILE A 33 -7.898 -5.925 1.784 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.093 -4.030 -0.503 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.233 -6.380 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.575 -4.412 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.837 -3.404 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.490 -5.744 -2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.198 -6.243 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.777 -4.516 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.226 -4.090 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.833 -4.779 1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.551 -5.802 1.280 1.00 0.00 H new ATOM 464 N MET A 34 -9.815 -5.410 -1.491 1.00 0.00 N ATOM 465 CA MET A 34 -10.917 -6.174 -2.050 1.00 0.00 C ATOM 466 C MET A 34 -10.403 -7.360 -2.869 1.00 0.00 C ATOM 467 O MET A 34 -10.189 -7.240 -4.074 1.00 0.00 O ATOM 468 CB MET A 34 -11.767 -5.267 -2.943 1.00 0.00 C ATOM 469 CG MET A 34 -12.669 -4.361 -2.103 1.00 0.00 C ATOM 470 SD MET A 34 -13.847 -5.346 -1.192 1.00 0.00 S ATOM 471 CE MET A 34 -15.218 -4.205 -1.125 1.00 0.00 C ATOM 0 H MET A 34 -9.741 -4.453 -1.835 1.00 0.00 H new ATOM 0 HA MET A 34 -11.521 -6.559 -1.228 1.00 0.00 H new ATOM 0 HB2 MET A 34 -11.118 -4.658 -3.572 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.377 -5.876 -3.610 1.00 0.00 H new ATOM 0 HG2 MET A 34 -12.065 -3.772 -1.413 1.00 0.00 H new ATOM 0 HG3 MET A 34 -13.194 -3.657 -2.749 1.00 0.00 H new ATOM 0 HE1 MET A 34 -16.047 -4.664 -0.586 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.909 -3.295 -0.610 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.536 -3.959 -2.138 1.00 0.00 H new ATOM 595 N ILE A 45 -3.471 -10.479 -0.621 1.00 0.00 N ATOM 596 CA ILE A 45 -2.769 -9.452 0.129 1.00 0.00 C ATOM 597 C ILE A 45 -3.275 -9.444 1.573 1.00 0.00 C ATOM 598 O ILE A 45 -4.150 -10.231 1.932 1.00 0.00 O ATOM 599 CB ILE A 45 -2.893 -8.098 -0.573 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.514 -7.481 -0.820 1.00 0.00 C ATOM 601 CG2 ILE A 45 -3.810 -7.156 0.210 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.648 -8.402 -1.682 1.00 0.00 C ATOM 0 HA ILE A 45 -1.702 -9.670 0.166 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.354 -8.259 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.627 -6.515 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.018 -7.296 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.881 -6.201 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.803 -7.599 0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.401 -6.996 1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.326 -7.940 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.517 -9.358 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.135 -8.565 -2.643 1.00 0.00 H new ATOM 613 N GLU A 46 -2.701 -8.548 2.362 1.00 0.00 N ATOM 614 CA GLU A 46 -3.084 -8.428 3.759 1.00 0.00 C ATOM 615 C GLU A 46 -3.071 -6.959 4.189 1.00 0.00 C ATOM 616 O GLU A 46 -2.440 -6.126 3.541 1.00 0.00 O ATOM 617 CB GLU A 46 -2.168 -9.268 4.652 1.00 0.00 C ATOM 618 CG GLU A 46 -2.339 -10.761 4.361 1.00 0.00 C ATOM 619 CD GLU A 46 -2.371 -11.572 5.657 1.00 0.00 C ATOM 620 OE1 GLU A 46 -1.594 -11.292 6.583 1.00 0.00 O ATOM 621 OE2 GLU A 46 -3.241 -12.524 5.685 1.00 0.00 O ATOM 0 H GLU A 46 -1.974 -7.899 2.061 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.098 -8.811 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.130 -8.978 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.394 -9.070 5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.262 -10.923 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.520 -11.108 3.731 1.00 0.00 H new ATOM 627 N PRO A 47 -3.793 -6.681 5.307 1.00 0.00 N ATOM 628 CA PRO A 47 -3.870 -5.328 5.831 1.00 0.00 C ATOM 629 C PRO A 47 -2.568 -4.937 6.533 1.00 0.00 C ATOM 630 O PRO A 47 -2.133 -3.789 6.447 1.00 0.00 O ATOM 631 CB PRO A 47 -5.069 -5.335 6.765 1.00 0.00 C ATOM 632 CG PRO A 47 -5.336 -6.797 7.088 1.00 0.00 C ATOM 633 CD PRO A 47 -4.552 -7.644 6.100 1.00 0.00 C ATOM 0 HA PRO A 47 -3.996 -4.581 5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.862 -4.766 7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.936 -4.875 6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.032 -7.024 8.110 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.402 -7.015 7.016 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.891 -8.342 6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.217 -8.238 5.472 1.00 0.00 H new ATOM 638 N GLY A 48 -1.982 -5.912 7.210 1.00 0.00 N ATOM 639 CA GLY A 48 -0.739 -5.684 7.927 1.00 0.00 C ATOM 640 C GLY A 48 0.468 -5.856 7.001 1.00 0.00 C ATOM 641 O GLY A 48 1.535 -6.280 7.439 1.00 0.00 O ATOM 0 H GLY A 48 -2.345 -6.863 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.738 -4.679 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.664 -6.381 8.762 1.00 0.00 H new ATOM 645 N ASP A 49 0.255 -5.520 5.737 1.00 0.00 N ATOM 646 CA ASP A 49 1.311 -5.631 4.745 1.00 0.00 C ATOM 647 C ASP A 49 2.291 -4.469 4.916 1.00 0.00 C ATOM 648 O ASP A 49 3.481 -4.610 4.638 1.00 0.00 O ATOM 649 CB ASP A 49 0.743 -5.565 3.325 1.00 0.00 C ATOM 650 CG ASP A 49 1.407 -6.506 2.319 1.00 0.00 C ATOM 651 OD1 ASP A 49 2.023 -6.063 1.339 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.271 -7.763 2.576 1.00 0.00 O ATOM 0 H ASP A 49 -0.633 -5.171 5.377 1.00 0.00 H new ATOM 0 HA ASP A 49 1.809 -6.589 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.322 -5.793 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.836 -4.542 2.960 1.00 0.00 H new ATOM 657 N MET A 50 1.755 -3.347 5.373 1.00 0.00 N ATOM 658 CA MET A 50 2.568 -2.161 5.586 1.00 0.00 C ATOM 659 C MET A 50 2.717 -1.361 4.290 1.00 0.00 C ATOM 660 O MET A 50 3.823 -0.965 3.925 1.00 0.00 O ATOM 661 CB MET A 50 3.950 -2.574 6.093 1.00 0.00 C ATOM 662 CG MET A 50 4.472 -1.578 7.132 1.00 0.00 C ATOM 663 SD MET A 50 4.592 0.049 6.411 1.00 0.00 S ATOM 664 CE MET A 50 3.885 1.025 7.730 1.00 0.00 C ATOM 0 H MET A 50 0.767 -3.234 5.602 1.00 0.00 H new ATOM 0 HA MET A 50 2.074 -1.531 6.326 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.898 -3.570 6.533 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.646 -2.631 5.256 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.804 -1.555 7.993 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.449 -1.897 7.495 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.523 1.971 7.328 1.00 0.00 H new ATOM 0 HE2 MET A 50 3.055 0.481 8.181 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.645 1.219 8.487 1.00 0.00 H new ATOM 672 N LEU A 51 1.588 -1.146 3.631 1.00 0.00 N ATOM 673 CA LEU A 51 1.579 -0.401 2.384 1.00 0.00 C ATOM 674 C LEU A 51 1.484 1.095 2.691 1.00 0.00 C ATOM 675 O LEU A 51 0.399 1.675 2.640 1.00 0.00 O ATOM 676 CB LEU A 51 0.472 -0.911 1.461 1.00 0.00 C ATOM 677 CG LEU A 51 0.419 -0.286 0.066 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.059 1.165 0.133 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.769 -0.413 -0.643 1.00 0.00 C ATOM 0 H LEU A 51 0.672 -1.475 3.938 1.00 0.00 H new ATOM 0 HA LEU A 51 2.511 -0.558 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.587 -1.989 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.488 -0.742 1.950 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.310 -0.837 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.087 1.585 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.057 1.199 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.627 1.746 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.704 0.039 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.536 0.098 -0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.030 -1.467 -0.742 1.00 0.00 H new ATOM 690 N LEU A 52 2.631 1.679 3.001 1.00 0.00 N ATOM 691 CA LEU A 52 2.690 3.096 3.316 1.00 0.00 C ATOM 692 C LEU A 52 3.701 3.777 2.393 1.00 0.00 C ATOM 693 O LEU A 52 3.938 4.979 2.505 1.00 0.00 O ATOM 694 CB LEU A 52 2.979 3.303 4.804 1.00 0.00 C ATOM 695 CG LEU A 52 4.408 3.717 5.160 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.429 2.895 4.371 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.608 5.221 4.961 1.00 0.00 C ATOM 0 H LEU A 52 3.529 1.196 3.041 1.00 0.00 H new ATOM 0 HA LEU A 52 1.724 3.567 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.297 4.064 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.749 2.377 5.330 1.00 0.00 H new ATOM 0 HG LEU A 52 4.572 3.507 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.437 3.209 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.303 1.838 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.275 3.052 3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.632 5.489 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.419 5.478 3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.916 5.768 5.601 1.00 0.00 H new ATOM 708 N GLN A 53 4.273 2.981 1.502 1.00 0.00 N ATOM 709 CA GLN A 53 5.254 3.492 0.560 1.00 0.00 C ATOM 710 C GLN A 53 4.958 2.973 -0.848 1.00 0.00 C ATOM 711 O GLN A 53 4.393 1.891 -1.010 1.00 0.00 O ATOM 712 CB GLN A 53 6.674 3.123 0.994 1.00 0.00 C ATOM 713 CG GLN A 53 6.724 1.700 1.554 1.00 0.00 C ATOM 714 CD GLN A 53 7.914 1.525 2.500 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.771 2.385 2.628 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.919 0.368 3.154 1.00 0.00 N ATOM 0 H GLN A 53 4.075 1.984 1.412 1.00 0.00 H new ATOM 0 HA GLN A 53 5.185 4.580 0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.351 3.207 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.022 3.827 1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.797 1.481 2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.798 0.985 0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.171 -0.308 3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.671 0.156 3.810 1.00 0.00 H new ATOM 723 N VAL A 54 5.354 3.767 -1.832 1.00 0.00 N ATOM 724 CA VAL A 54 5.139 3.401 -3.222 1.00 0.00 C ATOM 725 C VAL A 54 6.371 3.783 -4.043 1.00 0.00 C ATOM 726 O VAL A 54 7.093 4.715 -3.689 1.00 0.00 O ATOM 727 CB VAL A 54 3.851 4.047 -3.740 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.849 4.114 -5.268 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.618 3.305 -3.221 1.00 0.00 C ATOM 0 H VAL A 54 5.823 4.662 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 54 5.008 2.323 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 54 3.811 5.068 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.924 4.577 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.699 4.707 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.924 3.106 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.717 3.784 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.649 2.269 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.609 3.333 -2.131 1.00 0.00 H new ATOM 739 N ASN A 55 6.576 3.044 -5.124 1.00 0.00 N ATOM 740 CA ASN A 55 7.709 3.294 -5.998 1.00 0.00 C ATOM 741 C ASN A 55 8.913 3.721 -5.154 1.00 0.00 C ATOM 742 O ASN A 55 9.155 3.163 -4.085 1.00 0.00 O ATOM 743 CB ASN A 55 7.404 4.420 -6.988 1.00 0.00 C ATOM 744 CG ASN A 55 8.245 4.276 -8.257 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.415 4.618 -8.299 1.00 0.00 O ATOM 746 ND2 ASN A 55 7.586 3.755 -9.287 1.00 0.00 N ATOM 0 H ASN A 55 5.976 2.272 -5.414 1.00 0.00 H new ATOM 0 HA ASN A 55 7.919 2.377 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.345 4.406 -7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.606 5.384 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.060 3.620 -10.180 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.606 3.490 -9.184 1.00 0.00 H new ATOM 752 N ASP A 56 9.637 4.704 -5.669 1.00 0.00 N ATOM 753 CA ASP A 56 10.809 5.211 -4.976 1.00 0.00 C ATOM 754 C ASP A 56 10.369 6.177 -3.875 1.00 0.00 C ATOM 755 O ASP A 56 11.203 6.789 -3.210 1.00 0.00 O ATOM 756 CB ASP A 56 11.728 5.973 -5.935 1.00 0.00 C ATOM 757 CG ASP A 56 11.236 7.367 -6.330 1.00 0.00 C ATOM 758 OD1 ASP A 56 10.150 7.801 -5.918 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.029 8.025 -7.104 1.00 0.00 O ATOM 0 H ASP A 56 9.435 5.163 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 56 11.348 4.361 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.711 6.068 -5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.857 5.379 -6.840 1.00 0.00 H new ATOM 764 N VAL A 57 9.058 6.284 -3.716 1.00 0.00 N ATOM 765 CA VAL A 57 8.496 7.165 -2.707 1.00 0.00 C ATOM 766 C VAL A 57 8.513 6.457 -1.351 1.00 0.00 C ATOM 767 O VAL A 57 8.612 5.233 -1.287 1.00 0.00 O ATOM 768 CB VAL A 57 7.096 7.618 -3.127 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.203 7.843 -1.905 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.164 8.875 -3.996 1.00 0.00 C ATOM 0 H VAL A 57 8.369 5.775 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 57 9.099 8.068 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 57 6.651 6.822 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.214 8.164 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.115 6.914 -1.342 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.643 8.612 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.156 9.176 -4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.638 9.680 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.747 8.666 -4.893 1.00 0.00 H new ATOM 780 N ASN A 58 8.417 7.258 -0.300 1.00 0.00 N ATOM 781 CA ASN A 58 8.421 6.723 1.051 1.00 0.00 C ATOM 782 C ASN A 58 7.726 7.712 1.989 1.00 0.00 C ATOM 783 O ASN A 58 8.362 8.623 2.517 1.00 0.00 O ATOM 784 CB ASN A 58 9.849 6.515 1.558 1.00 0.00 C ATOM 785 CG ASN A 58 10.579 5.460 0.724 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.071 4.383 0.456 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.794 5.828 0.330 1.00 0.00 N ATOM 0 H ASN A 58 8.336 8.273 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 58 7.901 5.765 1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.394 7.458 1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.826 6.206 2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.362 5.194 -0.232 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.159 6.745 0.590 1.00 0.00 H new ATOM 793 N PHE A 59 6.431 7.499 2.168 1.00 0.00 N ATOM 794 CA PHE A 59 5.643 8.361 3.033 1.00 0.00 C ATOM 795 C PHE A 59 5.808 7.964 4.501 1.00 0.00 C ATOM 796 O PHE A 59 4.848 7.997 5.269 1.00 0.00 O ATOM 797 CB PHE A 59 4.179 8.180 2.630 1.00 0.00 C ATOM 798 CG PHE A 59 3.877 8.573 1.182 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.583 9.573 0.589 1.00 0.00 C ATOM 800 CD2 PHE A 59 2.906 7.922 0.488 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.305 9.938 -0.755 1.00 0.00 C ATOM 802 CE2 PHE A 59 2.628 8.285 -0.856 1.00 0.00 C ATOM 803 CZ PHE A 59 3.333 9.286 -1.449 1.00 0.00 C ATOM 0 H PHE A 59 5.907 6.742 1.729 1.00 0.00 H new ATOM 0 HA PHE A 59 5.970 9.395 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.899 7.137 2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.554 8.776 3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.355 10.089 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.346 7.128 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.865 10.733 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.857 7.767 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.121 9.563 -2.471 1.00 0.00 H new ATOM 812 N GLU A 60 7.034 7.596 4.847 1.00 0.00 N ATOM 813 CA GLU A 60 7.337 7.193 6.209 1.00 0.00 C ATOM 814 C GLU A 60 7.252 8.395 7.151 1.00 0.00 C ATOM 815 O GLU A 60 7.542 9.523 6.752 1.00 0.00 O ATOM 816 CB GLU A 60 8.714 6.529 6.291 1.00 0.00 C ATOM 817 CG GLU A 60 8.726 5.197 5.539 1.00 0.00 C ATOM 818 CD GLU A 60 8.724 4.018 6.514 1.00 0.00 C ATOM 819 OE1 GLU A 60 9.654 3.880 7.322 1.00 0.00 O ATOM 820 OE2 GLU A 60 7.708 3.229 6.413 1.00 0.00 O ATOM 0 H GLU A 60 7.828 7.569 4.207 1.00 0.00 H new ATOM 0 HA GLU A 60 6.595 6.458 6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.468 7.195 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.980 6.364 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.855 5.136 4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.607 5.144 4.900 1.00 0.00 H new ATOM 826 N ASN A 61 6.852 8.116 8.383 1.00 0.00 N ATOM 827 CA ASN A 61 6.725 9.161 9.384 1.00 0.00 C ATOM 828 C ASN A 61 5.390 9.885 9.193 1.00 0.00 C ATOM 829 O ASN A 61 4.679 10.148 10.160 1.00 0.00 O ATOM 830 CB ASN A 61 7.846 10.193 9.248 1.00 0.00 C ATOM 831 CG ASN A 61 8.424 10.558 10.618 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.524 10.171 10.979 1.00 0.00 O ATOM 833 ND2 ASN A 61 7.624 11.320 11.357 1.00 0.00 N ATOM 0 H ASN A 61 6.612 7.180 8.711 1.00 0.00 H new ATOM 0 HA ASN A 61 6.782 8.694 10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.636 9.796 8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.463 11.089 8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 61 7.919 11.616 12.287 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.716 11.608 10.994 1.00 0.00 H new ATOM 839 N MET A 62 5.091 10.186 7.938 1.00 0.00 N ATOM 840 CA MET A 62 3.855 10.874 7.607 1.00 0.00 C ATOM 841 C MET A 62 2.698 10.367 8.470 1.00 0.00 C ATOM 842 O MET A 62 2.102 11.133 9.226 1.00 0.00 O ATOM 843 CB MET A 62 3.526 10.652 6.129 1.00 0.00 C ATOM 844 CG MET A 62 2.811 11.869 5.537 1.00 0.00 C ATOM 845 SD MET A 62 3.675 12.435 4.082 1.00 0.00 S ATOM 846 CE MET A 62 3.227 11.145 2.933 1.00 0.00 C ATOM 0 H MET A 62 5.684 9.966 7.138 1.00 0.00 H new ATOM 0 HA MET A 62 3.990 11.938 7.802 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.444 10.459 5.574 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.897 9.768 6.022 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.784 11.609 5.282 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.764 12.669 6.276 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.083 10.491 2.768 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.401 10.564 3.342 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.923 11.591 1.986 1.00 0.00 H new ATOM 854 N SER A 63 2.416 9.081 8.328 1.00 0.00 N ATOM 855 CA SER A 63 1.340 8.462 9.085 1.00 0.00 C ATOM 856 C SER A 63 0.337 9.526 9.532 1.00 0.00 C ATOM 857 O SER A 63 0.097 9.695 10.727 1.00 0.00 O ATOM 858 CB SER A 63 1.885 7.704 10.296 1.00 0.00 C ATOM 859 OG SER A 63 0.899 7.541 11.312 1.00 0.00 O ATOM 0 H SER A 63 2.914 8.450 7.700 1.00 0.00 H new ATOM 0 HA SER A 63 0.835 7.744 8.439 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.244 6.725 9.979 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.741 8.241 10.704 1.00 0.00 H new ATOM 0 HG SER A 63 0.605 8.421 11.627 1.00 0.00 H new ATOM 864 N ASN A 64 -0.223 10.217 8.550 1.00 0.00 N ATOM 865 CA ASN A 64 -1.195 11.261 8.828 1.00 0.00 C ATOM 866 C ASN A 64 -2.596 10.647 8.880 1.00 0.00 C ATOM 867 O ASN A 64 -3.591 11.344 8.691 1.00 0.00 O ATOM 868 CB ASN A 64 -1.188 12.327 7.731 1.00 0.00 C ATOM 869 CG ASN A 64 -1.730 13.658 8.257 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.757 13.724 8.912 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.984 14.711 7.934 1.00 0.00 N ATOM 0 H ASN A 64 -0.022 10.074 7.560 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.932 11.721 9.780 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.173 12.465 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.793 11.991 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.261 15.645 8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.135 14.585 7.383 1.00 0.00 H new ATOM 877 N ASP A 65 -2.628 9.347 9.138 1.00 0.00 N ATOM 878 CA ASP A 65 -3.890 8.630 9.217 1.00 0.00 C ATOM 879 C ASP A 65 -4.749 8.984 8.001 1.00 0.00 C ATOM 880 O ASP A 65 -5.973 8.876 8.050 1.00 0.00 O ATOM 881 CB ASP A 65 -4.667 9.023 10.476 1.00 0.00 C ATOM 882 CG ASP A 65 -6.053 8.388 10.603 1.00 0.00 C ATOM 883 OD1 ASP A 65 -7.029 9.055 10.979 1.00 0.00 O ATOM 884 OD2 ASP A 65 -6.111 7.137 10.292 1.00 0.00 O ATOM 0 H ASP A 65 -1.800 8.772 9.295 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.672 7.562 9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.076 8.749 11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.777 10.107 10.493 1.00 0.00 H new ATOM 889 N ASP A 66 -4.073 9.398 6.940 1.00 0.00 N ATOM 890 CA ASP A 66 -4.760 9.768 5.713 1.00 0.00 C ATOM 891 C ASP A 66 -3.727 10.034 4.617 1.00 0.00 C ATOM 892 O ASP A 66 -3.929 10.899 3.765 1.00 0.00 O ATOM 893 CB ASP A 66 -5.584 11.042 5.906 1.00 0.00 C ATOM 894 CG ASP A 66 -4.779 12.278 6.310 1.00 0.00 C ATOM 895 OD1 ASP A 66 -5.111 12.965 7.288 1.00 0.00 O ATOM 896 OD2 ASP A 66 -3.757 12.531 5.566 1.00 0.00 O ATOM 0 H ASP A 66 -3.057 9.486 6.904 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.423 8.948 5.437 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.113 11.259 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.341 10.855 6.668 1.00 0.00 H new ATOM 901 N ALA A 67 -2.642 9.276 4.673 1.00 0.00 N ATOM 902 CA ALA A 67 -1.577 9.419 3.694 1.00 0.00 C ATOM 903 C ALA A 67 -2.152 9.227 2.289 1.00 0.00 C ATOM 904 O ALA A 67 -1.526 9.607 1.301 1.00 0.00 O ATOM 905 CB ALA A 67 -0.459 8.423 4.008 1.00 0.00 C ATOM 0 H ALA A 67 -2.477 8.561 5.381 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.145 10.419 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.340 8.530 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.065 8.621 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.854 7.408 3.969 1.00 0.00 H new ATOM 911 N VAL A 68 -3.337 8.637 2.245 1.00 0.00 N ATOM 912 CA VAL A 68 -4.003 8.390 0.977 1.00 0.00 C ATOM 913 C VAL A 68 -4.173 9.713 0.229 1.00 0.00 C ATOM 914 O VAL A 68 -4.035 9.763 -0.992 1.00 0.00 O ATOM 915 CB VAL A 68 -5.328 7.663 1.216 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.345 8.005 0.124 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.115 6.152 1.313 1.00 0.00 C ATOM 0 H VAL A 68 -3.853 8.323 3.067 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.398 7.737 0.348 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.731 8.006 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.278 7.476 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.531 9.079 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.951 7.704 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.073 5.660 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.679 5.786 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.442 5.932 2.142 1.00 0.00 H new ATOM 927 N ARG A 69 -4.472 10.754 0.993 1.00 0.00 N ATOM 928 CA ARG A 69 -4.663 12.075 0.418 1.00 0.00 C ATOM 929 C ARG A 69 -3.554 12.378 -0.593 1.00 0.00 C ATOM 930 O ARG A 69 -3.732 13.207 -1.485 1.00 0.00 O ATOM 931 CB ARG A 69 -4.664 13.154 1.502 1.00 0.00 C ATOM 932 CG ARG A 69 -4.768 14.551 0.886 1.00 0.00 C ATOM 933 CD ARG A 69 -5.886 15.359 1.547 1.00 0.00 C ATOM 934 NE ARG A 69 -6.974 15.607 0.576 1.00 0.00 N ATOM 935 CZ ARG A 69 -7.981 14.742 0.329 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.046 13.562 0.983 1.00 0.00 N ATOM 937 NH2 ARG A 69 -8.899 15.066 -0.560 1.00 0.00 N ATOM 0 H ARG A 69 -4.587 10.709 2.006 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.630 12.081 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.499 12.990 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.752 13.081 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.819 15.075 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.958 14.467 -0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.274 14.819 2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.492 16.307 1.914 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.963 16.487 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.331 13.319 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.810 12.914 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.842 15.959 -1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.666 14.424 -0.758 1.00 0.00 H new ATOM 947 N VAL A 70 -2.434 11.692 -0.419 1.00 0.00 N ATOM 948 CA VAL A 70 -1.297 11.878 -1.305 1.00 0.00 C ATOM 949 C VAL A 70 -1.198 10.684 -2.256 1.00 0.00 C ATOM 950 O VAL A 70 -1.074 10.861 -3.467 1.00 0.00 O ATOM 951 CB VAL A 70 -0.025 12.095 -0.483 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.981 10.967 -0.720 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.598 13.459 -0.789 1.00 0.00 C ATOM 0 H VAL A 70 -2.289 11.006 0.322 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.430 12.771 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.301 12.081 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.876 11.146 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.536 10.015 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.249 10.935 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.501 13.589 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.852 13.514 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.114 14.247 -0.546 1.00 0.00 H new ATOM 963 N LEU A 71 -1.254 9.496 -1.673 1.00 0.00 N ATOM 964 CA LEU A 71 -1.171 8.274 -2.454 1.00 0.00 C ATOM 965 C LEU A 71 -2.147 8.358 -3.629 1.00 0.00 C ATOM 966 O LEU A 71 -1.805 7.991 -4.753 1.00 0.00 O ATOM 967 CB LEU A 71 -1.389 7.051 -1.561 1.00 0.00 C ATOM 968 CG LEU A 71 -0.561 5.811 -1.906 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.590 5.627 -0.915 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.447 4.567 -1.995 1.00 0.00 C ATOM 0 H LEU A 71 -1.356 9.354 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.172 8.159 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.170 7.334 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.444 6.781 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.117 5.960 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.162 4.739 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.240 6.501 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.188 5.510 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.834 3.700 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.940 4.402 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.200 4.711 -2.770 1.00 0.00 H new ATOM 981 N ARG A 72 -3.343 8.844 -3.330 1.00 0.00 N ATOM 982 CA ARG A 72 -4.371 8.980 -4.349 1.00 0.00 C ATOM 983 C ARG A 72 -3.908 9.942 -5.445 1.00 0.00 C ATOM 984 O ARG A 72 -4.426 9.914 -6.560 1.00 0.00 O ATOM 985 CB ARG A 72 -5.678 9.497 -3.745 1.00 0.00 C ATOM 986 CG ARG A 72 -6.802 9.488 -4.783 1.00 0.00 C ATOM 987 CD ARG A 72 -7.281 8.062 -5.061 1.00 0.00 C ATOM 988 NE ARG A 72 -8.750 7.980 -4.897 1.00 0.00 N ATOM 989 CZ ARG A 72 -9.429 6.825 -4.732 1.00 0.00 C ATOM 990 NH1 ARG A 72 -8.776 5.643 -4.709 1.00 0.00 N ATOM 991 NH2 ARG A 72 -10.740 6.868 -4.595 1.00 0.00 N ATOM 0 H ARG A 72 -3.623 9.148 -2.398 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.547 7.993 -4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.959 8.878 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.534 10.510 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.636 10.092 -4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.451 9.944 -5.708 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.003 7.767 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.791 7.366 -4.380 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.282 8.850 -4.909 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.762 5.618 -4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.297 4.775 -4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.226 7.765 -4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.268 6.005 -4.469 1.00 0.00 H new ATOM 1001 N GLU A 73 -2.937 10.770 -5.089 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.398 11.739 -6.028 1.00 0.00 C ATOM 1003 C GLU A 73 -1.470 11.048 -7.029 1.00 0.00 C ATOM 1004 O GLU A 73 -1.211 11.578 -8.109 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.671 12.868 -5.295 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.153 12.702 -5.401 1.00 0.00 C ATOM 1007 CD GLU A 73 0.574 13.880 -4.749 1.00 0.00 C ATOM 1008 OE1 GLU A 73 0.167 15.038 -4.932 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.597 13.560 -4.031 1.00 0.00 O ATOM 0 H GLU A 73 -2.509 10.790 -4.163 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.228 12.183 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.966 13.829 -5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.967 12.876 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.149 11.772 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.136 12.627 -6.449 1.00 0.00 H new ATOM 1015 N ILE A 74 -0.995 9.876 -6.635 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.101 9.107 -7.485 1.00 0.00 C ATOM 1017 C ILE A 74 -0.860 8.644 -8.730 1.00 0.00 C ATOM 1018 O ILE A 74 -0.922 9.361 -9.727 1.00 0.00 O ATOM 1019 CB ILE A 74 0.539 7.964 -6.693 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.186 8.482 -5.408 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.531 7.186 -7.561 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.668 8.790 -5.624 1.00 0.00 C ATOM 0 H ILE A 74 -1.212 9.440 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 74 0.726 9.728 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.248 7.269 -6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.669 9.382 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.077 7.740 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.972 6.379 -6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.010 6.767 -8.422 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.318 7.857 -7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.103 9.157 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.187 7.883 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.773 9.550 -6.398 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.420 7.446 -8.630 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.173 6.879 -9.736 1.00 0.00 C ATOM 1035 C VAL A 75 -2.980 7.985 -10.419 1.00 0.00 C ATOM 1036 O VAL A 75 -3.106 7.999 -11.643 1.00 0.00 O ATOM 1037 CB VAL A 75 -3.045 5.724 -9.237 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.340 4.380 -9.434 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.438 5.927 -7.772 1.00 0.00 C ATOM 0 H VAL A 75 -1.367 6.854 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.498 6.461 -10.483 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.959 5.713 -9.831 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.981 3.576 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.133 4.229 -10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.403 4.376 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.057 5.093 -7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.539 5.977 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.998 6.857 -7.671 1.00 0.00 H new ATOM 1049 N SER A 76 -3.503 8.884 -9.599 1.00 0.00 N ATOM 1050 CA SER A 76 -4.294 9.991 -10.109 1.00 0.00 C ATOM 1051 C SER A 76 -3.517 10.731 -11.200 1.00 0.00 C ATOM 1052 O SER A 76 -3.963 10.806 -12.343 1.00 0.00 O ATOM 1053 CB SER A 76 -4.681 10.955 -8.986 1.00 0.00 C ATOM 1054 OG SER A 76 -5.101 12.220 -9.489 1.00 0.00 O ATOM 0 H SER A 76 -3.395 8.869 -8.585 1.00 0.00 H new ATOM 0 HA SER A 76 -5.212 9.587 -10.536 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.483 10.517 -8.392 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.830 11.094 -8.319 1.00 0.00 H new ATOM 0 HG SER A 76 -5.341 12.806 -8.741 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.366 11.258 -10.807 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.522 11.990 -11.736 1.00 0.00 C ATOM 1061 C GLN A 77 -0.074 11.509 -11.628 1.00 0.00 C ATOM 1062 O GLN A 77 0.216 10.339 -11.872 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.620 13.497 -11.495 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.057 13.991 -11.678 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.103 15.214 -12.595 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -2.741 16.317 -12.220 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.569 14.959 -13.815 1.00 0.00 N ATOM 0 H GLN A 77 -1.998 11.192 -9.858 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.874 11.795 -12.749 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.277 13.730 -10.487 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.961 14.023 -12.186 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.669 13.193 -12.099 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.485 14.243 -10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.855 14.012 -14.064 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.640 15.710 -14.501 1.00 0.00 H new ATOM 1074 N THR A 78 0.798 12.438 -11.263 1.00 0.00 N ATOM 1075 CA THR A 78 2.210 12.124 -11.120 1.00 0.00 C ATOM 1076 C THR A 78 2.396 10.906 -10.212 1.00 0.00 C ATOM 1077 O THR A 78 1.422 10.270 -9.813 1.00 0.00 O ATOM 1078 CB THR A 78 2.923 13.377 -10.609 1.00 0.00 C ATOM 1079 OG1 THR A 78 2.098 13.838 -9.544 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.895 14.522 -11.625 1.00 0.00 C ATOM 0 H THR A 78 0.554 13.408 -11.062 1.00 0.00 H new ATOM 0 HA THR A 78 2.653 11.848 -12.077 1.00 0.00 H new ATOM 0 HB THR A 78 3.957 13.132 -10.366 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.489 14.648 -9.154 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.414 15.387 -11.213 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.389 14.206 -12.543 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.861 14.790 -11.843 1.00 0.00 H new ATOM 1088 N GLY A 79 3.654 10.620 -9.911 1.00 0.00 N ATOM 1089 CA GLY A 79 3.980 9.490 -9.057 1.00 0.00 C ATOM 1090 C GLY A 79 3.772 8.167 -9.795 1.00 0.00 C ATOM 1091 O GLY A 79 2.646 7.818 -10.146 1.00 0.00 O ATOM 0 H GLY A 79 4.459 11.151 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.016 9.567 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.357 9.514 -8.163 1.00 0.00 H new ATOM 1095 N PRO A 80 4.905 7.446 -10.014 1.00 0.00 N ATOM 1096 CA PRO A 80 4.857 6.169 -10.704 1.00 0.00 C ATOM 1097 C PRO A 80 4.296 5.075 -9.794 1.00 0.00 C ATOM 1098 O PRO A 80 4.431 5.147 -8.573 1.00 0.00 O ATOM 1099 CB PRO A 80 6.289 5.903 -11.139 1.00 0.00 C ATOM 1100 CG PRO A 80 7.160 6.805 -10.279 1.00 0.00 C ATOM 1101 CD PRO A 80 6.255 7.828 -9.611 1.00 0.00 C ATOM 0 HA PRO A 80 4.189 6.181 -11.565 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.552 4.855 -10.997 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.423 6.124 -12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.693 6.220 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.914 7.303 -10.889 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.366 7.807 -8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.494 8.841 -9.936 1.00 0.00 H new ATOM 1106 N ILE A 81 3.678 4.085 -10.423 1.00 0.00 N ATOM 1107 CA ILE A 81 3.096 2.978 -9.684 1.00 0.00 C ATOM 1108 C ILE A 81 4.205 2.014 -9.261 1.00 0.00 C ATOM 1109 O ILE A 81 5.196 1.850 -9.972 1.00 0.00 O ATOM 1110 CB ILE A 81 1.984 2.316 -10.502 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.617 2.905 -10.148 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.013 0.795 -10.335 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.376 2.715 -11.296 1.00 0.00 C ATOM 0 H ILE A 81 3.568 4.027 -11.435 1.00 0.00 H new ATOM 0 HA ILE A 81 2.620 3.336 -8.771 1.00 0.00 H new ATOM 0 HB ILE A 81 2.163 2.529 -11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.233 2.426 -9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.721 3.967 -9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.213 0.349 -10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.974 0.410 -10.675 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.872 0.542 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.339 3.143 -11.018 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.001 3.216 -12.188 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.497 1.651 -11.500 1.00 0.00 H new ATOM 1124 N SER A 82 4.002 1.399 -8.105 1.00 0.00 N ATOM 1125 CA SER A 82 4.973 0.457 -7.578 1.00 0.00 C ATOM 1126 C SER A 82 4.833 0.356 -6.057 1.00 0.00 C ATOM 1127 O SER A 82 5.821 0.464 -5.332 1.00 0.00 O ATOM 1128 CB SER A 82 6.399 0.865 -7.954 1.00 0.00 C ATOM 1129 OG SER A 82 6.817 0.274 -9.182 1.00 0.00 O ATOM 0 H SER A 82 3.179 1.535 -7.519 1.00 0.00 H new ATOM 0 HA SER A 82 4.776 -0.519 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.456 1.950 -8.036 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.083 0.569 -7.158 1.00 0.00 H new ATOM 0 HG SER A 82 6.202 0.538 -9.898 1.00 0.00 H new ATOM 1134 N LEU A 83 3.601 0.150 -5.620 1.00 0.00 N ATOM 1135 CA LEU A 83 3.319 0.035 -4.200 1.00 0.00 C ATOM 1136 C LEU A 83 4.516 -0.611 -3.498 1.00 0.00 C ATOM 1137 O LEU A 83 5.142 -1.520 -4.041 1.00 0.00 O ATOM 1138 CB LEU A 83 2.000 -0.707 -3.972 1.00 0.00 C ATOM 1139 CG LEU A 83 1.455 -1.487 -5.172 1.00 0.00 C ATOM 1140 CD1 LEU A 83 2.556 -2.319 -5.830 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.253 -2.343 -4.767 1.00 0.00 C ATOM 0 H LEU A 83 2.785 0.060 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 83 3.183 1.022 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.135 -1.402 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.247 0.017 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 83 1.105 -0.771 -5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.143 -2.863 -6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.353 -1.660 -6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.958 -3.028 -5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.116 -2.887 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.555 -3.052 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.537 -1.700 -4.379 1.00 0.00 H new ATOM 1152 N THR A 84 4.798 -0.116 -2.302 1.00 0.00 N ATOM 1153 CA THR A 84 5.909 -0.632 -1.520 1.00 0.00 C ATOM 1154 C THR A 84 5.503 -0.786 -0.054 1.00 0.00 C ATOM 1155 O THR A 84 4.820 0.074 0.499 1.00 0.00 O ATOM 1156 CB THR A 84 7.105 0.299 -1.726 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.363 0.230 -3.125 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.385 -0.241 -1.083 1.00 0.00 C ATOM 0 H THR A 84 4.276 0.638 -1.855 1.00 0.00 H new ATOM 0 HA THR A 84 6.196 -1.630 -1.851 1.00 0.00 H new ATOM 0 HB THR A 84 6.876 1.280 -1.310 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.124 0.807 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.203 0.458 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.232 -0.358 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.633 -1.208 -1.522 1.00 0.00 H new ATOM 1166 N VAL A 85 5.941 -1.889 0.535 1.00 0.00 N ATOM 1167 CA VAL A 85 5.632 -2.168 1.928 1.00 0.00 C ATOM 1168 C VAL A 85 6.907 -2.607 2.651 1.00 0.00 C ATOM 1169 O VAL A 85 7.807 -3.177 2.038 1.00 0.00 O ATOM 1170 CB VAL A 85 4.507 -3.201 2.018 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.285 -2.752 1.215 1.00 0.00 C ATOM 1172 CG2 VAL A 85 4.990 -4.578 1.558 1.00 0.00 C ATOM 0 H VAL A 85 6.508 -2.600 0.073 1.00 0.00 H new ATOM 0 HA VAL A 85 5.269 -1.269 2.426 1.00 0.00 H new ATOM 0 HB VAL A 85 4.209 -3.282 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.500 -3.504 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.920 -1.803 1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.563 -2.628 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.171 -5.294 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.328 -4.518 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.815 -4.904 2.191 1.00 0.00 H new ATOM 1182 N ALA A 86 6.942 -2.324 3.945 1.00 0.00 N ATOM 1183 CA ALA A 86 8.091 -2.683 4.758 1.00 0.00 C ATOM 1184 C ALA A 86 7.712 -3.836 5.689 1.00 0.00 C ATOM 1185 O ALA A 86 8.162 -3.889 6.833 1.00 0.00 O ATOM 1186 CB ALA A 86 8.580 -1.451 5.524 1.00 0.00 C ATOM 0 H ALA A 86 6.193 -1.850 4.450 1.00 0.00 H new ATOM 0 HA ALA A 86 8.914 -3.024 4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.442 -1.720 6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.865 -0.672 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.781 -1.082 6.167 1.00 0.00 H new