USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 27:sc= 0.952 USER MOD Single : A 32 SER OG : rot 65:sc= 1.29 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -3.23 K(o=-3.2,f=-4.4!) USER MOD Single : A 55 ASN : amide:sc= -3.49! C(o=-3.5!,f=-7.8!) USER MOD Single : A 58 ASN : amide:sc= -2.2! C(o=-2.2!,f=-7.2!) USER MOD Single : A 61 ASN : amide:sc= -0.206 K(o=-0.21,f=-1) USER MOD Single : A 62 MET CE :methyl -177:sc= -10.4! (180deg=-10.5!) USER MOD Single : A 63 SER OG : rot -61:sc= 0.694 USER MOD Single : A 64 ASN : amide:sc= -0.014 X(o=-0.014,f=0.35) 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= 0.0119 USER MOD Single : A 82 SER OG : rot 87:sc= 1.12 USER MOD Single : A 84 THR OG1 : rot 159:sc= 0.0863 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.264 -4.556 -3.029 1.00 0.00 N ATOM 16 CA VAL A 2 5.852 -5.360 -4.167 1.00 0.00 C ATOM 17 C VAL A 2 5.519 -4.438 -5.343 1.00 0.00 C ATOM 18 O VAL A 2 4.899 -3.393 -5.159 1.00 0.00 O ATOM 19 CB VAL A 2 4.686 -6.269 -3.771 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.087 -6.958 -4.999 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.123 -7.295 -2.724 1.00 0.00 C ATOM 0 HA VAL A 2 6.663 -6.015 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 2 3.910 -5.646 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.260 -7.598 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.721 -6.205 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.852 -7.563 -5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.276 -7.928 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.924 -7.912 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.480 -6.777 -1.834 1.00 0.00 H new ATOM 31 N THR A 3 5.946 -4.861 -6.524 1.00 0.00 N ATOM 32 CA THR A 3 5.702 -4.087 -7.728 1.00 0.00 C ATOM 33 C THR A 3 4.481 -4.630 -8.473 1.00 0.00 C ATOM 34 O THR A 3 4.591 -5.586 -9.239 1.00 0.00 O ATOM 35 CB THR A 3 6.981 -4.100 -8.567 1.00 0.00 C ATOM 36 OG1 THR A 3 7.905 -3.329 -7.804 1.00 0.00 O ATOM 37 CG2 THR A 3 6.832 -3.317 -9.873 1.00 0.00 C ATOM 0 H THR A 3 6.459 -5.730 -6.672 1.00 0.00 H new ATOM 0 HA THR A 3 5.464 -3.050 -7.490 1.00 0.00 H new ATOM 0 HB THR A 3 7.258 -5.130 -8.791 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.763 -3.287 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.768 -3.358 -10.430 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.034 -3.756 -10.471 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.588 -2.279 -9.649 1.00 0.00 H new ATOM 201 N ILE A 14 -7.883 0.482 -3.075 1.00 0.00 N ATOM 202 CA ILE A 14 -7.149 0.168 -1.861 1.00 0.00 C ATOM 203 C ILE A 14 -7.430 1.243 -0.809 1.00 0.00 C ATOM 204 O ILE A 14 -8.039 2.269 -1.111 1.00 0.00 O ATOM 205 CB ILE A 14 -5.662 -0.019 -2.166 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.193 0.969 -3.236 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.360 -1.468 -2.554 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.172 2.399 -2.690 1.00 0.00 C ATOM 0 HA ILE A 14 -7.487 -0.782 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.098 0.197 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.196 0.692 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.855 0.916 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.296 -1.574 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.634 -2.129 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.935 -1.734 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.835 3.081 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.175 2.681 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.491 2.454 -1.841 1.00 0.00 H new ATOM 219 N SER A 15 -6.974 0.972 0.404 1.00 0.00 N ATOM 220 CA SER A 15 -7.168 1.903 1.503 1.00 0.00 C ATOM 221 C SER A 15 -6.083 1.698 2.561 1.00 0.00 C ATOM 222 O SER A 15 -5.522 0.609 2.678 1.00 0.00 O ATOM 223 CB SER A 15 -8.555 1.737 2.126 1.00 0.00 C ATOM 224 OG SER A 15 -9.420 2.822 1.802 1.00 0.00 O ATOM 0 H SER A 15 -6.470 0.120 0.651 1.00 0.00 H new ATOM 0 HA SER A 15 -7.095 2.917 1.109 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.999 0.804 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.459 1.661 3.209 1.00 0.00 H new ATOM 0 HG SER A 15 -10.296 2.677 2.217 1.00 0.00 H new ATOM 229 N ILE A 16 -5.820 2.761 3.306 1.00 0.00 N ATOM 230 CA ILE A 16 -4.811 2.711 4.351 1.00 0.00 C ATOM 231 C ILE A 16 -5.487 2.871 5.714 1.00 0.00 C ATOM 232 O ILE A 16 -6.681 3.157 5.790 1.00 0.00 O ATOM 233 CB ILE A 16 -3.712 3.743 4.085 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.279 5.164 4.098 1.00 0.00 C ATOM 235 CG2 ILE A 16 -2.972 3.432 2.783 1.00 0.00 C ATOM 236 CD1 ILE A 16 -3.715 5.969 5.269 1.00 0.00 C ATOM 0 H ILE A 16 -6.288 3.662 3.207 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.312 1.742 4.353 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.982 3.681 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.039 5.664 3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.366 5.125 4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.197 4.180 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.515 2.445 2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.676 3.449 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.134 6.975 5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.978 5.480 6.207 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.630 6.027 5.182 1.00 0.00 H new ATOM 247 N VAL A 17 -4.694 2.679 6.759 1.00 0.00 N ATOM 248 CA VAL A 17 -5.201 2.797 8.115 1.00 0.00 C ATOM 249 C VAL A 17 -4.025 2.940 9.084 1.00 0.00 C ATOM 250 O VAL A 17 -2.869 2.814 8.684 1.00 0.00 O ATOM 251 CB VAL A 17 -6.104 1.607 8.443 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.313 0.297 8.428 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.811 1.807 9.785 1.00 0.00 C ATOM 0 H VAL A 17 -3.704 2.443 6.693 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.816 3.691 8.215 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.869 1.544 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.979 -0.533 8.664 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.880 0.145 7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.516 0.345 9.170 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.446 0.946 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.068 1.909 10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.423 2.708 9.743 1.00 0.00 H new ATOM 263 N GLY A 18 -4.361 3.199 10.339 1.00 0.00 N ATOM 264 CA GLY A 18 -3.348 3.359 11.367 1.00 0.00 C ATOM 265 C GLY A 18 -3.734 2.604 12.640 1.00 0.00 C ATOM 266 O GLY A 18 -4.626 1.757 12.617 1.00 0.00 O ATOM 0 H GLY A 18 -5.321 3.302 10.667 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.390 2.992 10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.218 4.417 11.593 1.00 0.00 H new ATOM 366 N GLY A 27 3.282 2.509 11.810 1.00 0.00 N ATOM 367 CA GLY A 27 3.380 2.584 10.362 1.00 0.00 C ATOM 368 C GLY A 27 2.042 2.241 9.705 1.00 0.00 C ATOM 369 O GLY A 27 1.596 1.095 9.755 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.688 3.587 10.066 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.149 1.897 10.010 1.00 0.00 H new ATOM 373 N ILE A 28 1.439 3.255 9.101 1.00 0.00 N ATOM 374 CA ILE A 28 0.160 3.075 8.435 1.00 0.00 C ATOM 375 C ILE A 28 0.221 1.828 7.550 1.00 0.00 C ATOM 376 O ILE A 28 1.235 1.570 6.904 1.00 0.00 O ATOM 377 CB ILE A 28 -0.233 4.346 7.677 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.301 5.548 8.623 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.541 4.146 6.910 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.232 5.265 9.804 1.00 0.00 C ATOM 0 H ILE A 28 1.812 4.203 9.059 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.630 2.909 9.168 1.00 0.00 H new ATOM 0 HB ILE A 28 0.542 4.558 6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.698 5.783 8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.654 6.424 8.079 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.797 5.064 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.421 3.335 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.339 3.897 7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.262 6.135 10.460 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.235 5.055 9.434 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.863 4.403 10.360 1.00 0.00 H new ATOM 391 N TYR A 29 -0.877 1.086 7.552 1.00 0.00 N ATOM 392 CA TYR A 29 -0.961 -0.128 6.759 1.00 0.00 C ATOM 393 C TYR A 29 -2.263 -0.171 5.958 1.00 0.00 C ATOM 394 O TYR A 29 -3.271 0.399 6.374 1.00 0.00 O ATOM 395 CB TYR A 29 -0.953 -1.286 7.759 1.00 0.00 C ATOM 396 CG TYR A 29 -2.035 -1.185 8.836 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.888 -0.296 9.880 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.158 -1.984 8.762 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.907 -0.201 10.895 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.176 -1.890 9.777 1.00 0.00 C ATOM 401 CZ TYR A 29 -4.000 -1.002 10.793 1.00 0.00 C ATOM 402 OH TYR A 29 -4.962 -0.912 11.750 1.00 0.00 O ATOM 0 H TYR A 29 -1.716 1.303 8.090 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.134 -0.181 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.081 -2.222 7.216 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.023 -1.329 8.242 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.009 0.329 9.937 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.273 -2.679 7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.804 0.491 11.718 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.059 -2.510 9.733 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.951 -0.014 12.141 1.00 0.00 H new ATOM 411 N ILE A 30 -2.200 -0.850 4.822 1.00 0.00 N ATOM 412 CA ILE A 30 -3.362 -0.974 3.958 1.00 0.00 C ATOM 413 C ILE A 30 -4.546 -1.494 4.775 1.00 0.00 C ATOM 414 O ILE A 30 -4.477 -2.578 5.354 1.00 0.00 O ATOM 415 CB ILE A 30 -3.032 -1.834 2.736 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.835 -1.383 1.515 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.237 -3.320 3.040 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.397 0.009 1.056 1.00 0.00 C ATOM 0 H ILE A 30 -1.362 -1.320 4.480 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.650 0.001 3.564 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.978 -1.697 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.700 -2.097 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.898 -1.373 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.996 -3.909 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.586 -3.616 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.276 -3.494 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.983 0.307 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.556 0.725 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.340 -0.011 0.791 1.00 0.00 H new ATOM 429 N GLY A 31 -5.605 -0.698 4.796 1.00 0.00 N ATOM 430 CA GLY A 31 -6.802 -1.065 5.533 1.00 0.00 C ATOM 431 C GLY A 31 -7.302 -2.448 5.112 1.00 0.00 C ATOM 432 O GLY A 31 -7.646 -3.272 5.959 1.00 0.00 O ATOM 0 H GLY A 31 -5.659 0.200 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.591 -1.061 6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.582 -0.324 5.359 1.00 0.00 H new ATOM 436 N SER A 32 -7.328 -2.662 3.805 1.00 0.00 N ATOM 437 CA SER A 32 -7.780 -3.932 3.263 1.00 0.00 C ATOM 438 C SER A 32 -7.707 -3.904 1.735 1.00 0.00 C ATOM 439 O SER A 32 -7.543 -2.842 1.137 1.00 0.00 O ATOM 440 CB SER A 32 -9.204 -4.250 3.720 1.00 0.00 C ATOM 441 OG SER A 32 -9.221 -5.004 4.930 1.00 0.00 O ATOM 0 H SER A 32 -7.043 -1.977 3.105 1.00 0.00 H new ATOM 0 HA SER A 32 -7.123 -4.717 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.754 -3.320 3.864 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.720 -4.808 2.938 1.00 0.00 H new ATOM 0 HG SER A 32 -8.847 -4.464 5.657 1.00 0.00 H new ATOM 446 N ILE A 33 -7.831 -5.085 1.146 1.00 0.00 N ATOM 447 CA ILE A 33 -7.782 -5.208 -0.300 1.00 0.00 C ATOM 448 C ILE A 33 -9.150 -5.658 -0.817 1.00 0.00 C ATOM 449 O ILE A 33 -9.669 -6.690 -0.393 1.00 0.00 O ATOM 450 CB ILE A 33 -6.633 -6.127 -0.720 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.280 -5.438 -0.530 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.825 -6.627 -2.153 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.895 -5.386 0.950 1.00 0.00 C ATOM 0 H ILE A 33 -7.965 -5.965 1.645 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.571 -4.241 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.642 -7.002 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.513 -5.973 -1.090 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.323 -4.427 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.994 -7.278 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.760 -7.183 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.858 -5.776 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.930 -4.892 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.651 -4.829 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.829 -6.400 1.345 1.00 0.00 H new ATOM 464 N MET A 34 -9.695 -4.863 -1.725 1.00 0.00 N ATOM 465 CA MET A 34 -10.993 -5.166 -2.304 1.00 0.00 C ATOM 466 C MET A 34 -11.145 -6.669 -2.551 1.00 0.00 C ATOM 467 O MET A 34 -12.256 -7.195 -2.526 1.00 0.00 O ATOM 468 CB MET A 34 -11.152 -4.412 -3.626 1.00 0.00 C ATOM 469 CG MET A 34 -11.758 -3.026 -3.398 1.00 0.00 C ATOM 470 SD MET A 34 -13.263 -2.856 -4.342 1.00 0.00 S ATOM 471 CE MET A 34 -14.324 -2.126 -3.106 1.00 0.00 C ATOM 0 H MET A 34 -9.261 -4.009 -2.075 1.00 0.00 H new ATOM 0 HA MET A 34 -11.766 -4.852 -1.602 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.181 -4.313 -4.111 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.788 -4.984 -4.301 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.965 -2.881 -2.338 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.045 -2.255 -3.692 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.312 -1.952 -3.532 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.409 -2.801 -2.255 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.899 -1.178 -2.776 1.00 0.00 H new ATOM 595 N ILE A 45 -3.180 -10.856 -0.348 1.00 0.00 N ATOM 596 CA ILE A 45 -2.604 -9.688 0.295 1.00 0.00 C ATOM 597 C ILE A 45 -3.201 -9.538 1.697 1.00 0.00 C ATOM 598 O ILE A 45 -4.216 -10.157 2.013 1.00 0.00 O ATOM 599 CB ILE A 45 -2.784 -8.449 -0.583 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.895 -8.527 -1.827 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.538 -7.168 0.217 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.432 -8.753 -1.442 1.00 0.00 C ATOM 0 HA ILE A 45 -1.528 -9.812 0.416 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.818 -8.420 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.235 -9.338 -2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.985 -7.605 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.673 -6.302 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.245 -7.115 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.521 -7.173 0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.178 -8.805 -2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.088 -7.928 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.342 -9.688 -0.889 1.00 0.00 H new ATOM 613 N GLU A 46 -2.545 -8.714 2.500 1.00 0.00 N ATOM 614 CA GLU A 46 -2.997 -8.475 3.860 1.00 0.00 C ATOM 615 C GLU A 46 -3.081 -6.973 4.135 1.00 0.00 C ATOM 616 O GLU A 46 -2.483 -6.173 3.419 1.00 0.00 O ATOM 617 CB GLU A 46 -2.081 -9.168 4.871 1.00 0.00 C ATOM 618 CG GLU A 46 -2.278 -10.684 4.842 1.00 0.00 C ATOM 619 CD GLU A 46 -2.420 -11.247 6.258 1.00 0.00 C ATOM 620 OE1 GLU A 46 -1.426 -11.695 6.849 1.00 0.00 O ATOM 621 OE2 GLU A 46 -3.614 -11.207 6.744 1.00 0.00 O ATOM 0 H GLU A 46 -1.703 -8.203 2.235 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.994 -8.901 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.041 -8.929 4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.287 -8.790 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.166 -10.928 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.431 -11.155 4.343 1.00 0.00 H new ATOM 627 N PRO A 47 -3.850 -6.626 5.203 1.00 0.00 N ATOM 628 CA PRO A 47 -4.021 -5.234 5.582 1.00 0.00 C ATOM 629 C PRO A 47 -2.764 -4.694 6.267 1.00 0.00 C ATOM 630 O PRO A 47 -2.418 -3.525 6.106 1.00 0.00 O ATOM 631 CB PRO A 47 -5.243 -5.220 6.485 1.00 0.00 C ATOM 632 CG PRO A 47 -5.433 -6.654 6.953 1.00 0.00 C ATOM 633 CD PRO A 47 -4.574 -7.548 6.074 1.00 0.00 C ATOM 0 HA PRO A 47 -4.169 -4.579 4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.095 -4.549 7.332 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.122 -4.865 5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.144 -6.756 7.999 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.482 -6.943 6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.889 -8.150 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.186 -8.241 5.496 1.00 0.00 H new ATOM 638 N GLY A 48 -2.115 -5.572 7.018 1.00 0.00 N ATOM 639 CA GLY A 48 -0.904 -5.199 7.729 1.00 0.00 C ATOM 640 C GLY A 48 0.317 -5.270 6.808 1.00 0.00 C ATOM 641 O GLY A 48 1.451 -5.325 7.280 1.00 0.00 O ATOM 0 H GLY A 48 -2.405 -6.541 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.007 -4.189 8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.760 -5.862 8.582 1.00 0.00 H new ATOM 645 N ASP A 49 0.041 -5.267 5.512 1.00 0.00 N ATOM 646 CA ASP A 49 1.103 -5.330 4.522 1.00 0.00 C ATOM 647 C ASP A 49 2.063 -4.159 4.734 1.00 0.00 C ATOM 648 O ASP A 49 3.257 -4.273 4.461 1.00 0.00 O ATOM 649 CB ASP A 49 0.538 -5.228 3.103 1.00 0.00 C ATOM 650 CG ASP A 49 1.292 -6.037 2.048 1.00 0.00 C ATOM 651 OD1 ASP A 49 2.032 -5.480 1.223 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.095 -7.311 2.093 1.00 0.00 O ATOM 0 H ASP A 49 -0.902 -5.222 5.125 1.00 0.00 H new ATOM 0 HA ASP A 49 1.617 -6.284 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.501 -5.557 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.537 -4.180 2.803 1.00 0.00 H new ATOM 657 N MET A 50 1.507 -3.059 5.221 1.00 0.00 N ATOM 658 CA MET A 50 2.300 -1.868 5.473 1.00 0.00 C ATOM 659 C MET A 50 2.427 -1.016 4.208 1.00 0.00 C ATOM 660 O MET A 50 3.533 -0.656 3.806 1.00 0.00 O ATOM 661 CB MET A 50 3.693 -2.275 5.956 1.00 0.00 C ATOM 662 CG MET A 50 4.224 -1.284 6.994 1.00 0.00 C ATOM 663 SD MET A 50 3.898 -1.890 8.641 1.00 0.00 S ATOM 664 CE MET A 50 5.395 -2.819 8.931 1.00 0.00 C ATOM 0 H MET A 50 0.517 -2.968 5.448 1.00 0.00 H new ATOM 0 HA MET A 50 1.799 -1.276 6.239 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.654 -3.275 6.389 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.377 -2.321 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.296 -1.140 6.856 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.751 -0.312 6.855 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.358 -3.268 9.923 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.487 -3.604 8.180 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.255 -2.153 8.867 1.00 0.00 H new ATOM 672 N LEU A 51 1.280 -0.717 3.616 1.00 0.00 N ATOM 673 CA LEU A 51 1.250 0.085 2.405 1.00 0.00 C ATOM 674 C LEU A 51 1.177 1.566 2.783 1.00 0.00 C ATOM 675 O LEU A 51 0.095 2.151 2.814 1.00 0.00 O ATOM 676 CB LEU A 51 0.114 -0.372 1.488 1.00 0.00 C ATOM 677 CG LEU A 51 0.067 0.277 0.104 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.186 1.782 0.212 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.337 -0.035 -0.691 1.00 0.00 C ATOM 0 H LEU A 51 0.365 -1.016 3.953 1.00 0.00 H new ATOM 0 HA LEU A 51 2.167 -0.054 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.190 -1.452 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.833 -0.177 1.991 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.771 -0.151 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.215 2.219 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.139 1.956 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.615 2.245 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.278 0.438 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.205 0.348 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.433 -1.114 -0.814 1.00 0.00 H new ATOM 690 N LEU A 52 2.343 2.131 3.060 1.00 0.00 N ATOM 691 CA LEU A 52 2.425 3.533 3.434 1.00 0.00 C ATOM 692 C LEU A 52 3.481 4.226 2.569 1.00 0.00 C ATOM 693 O LEU A 52 3.737 5.417 2.733 1.00 0.00 O ATOM 694 CB LEU A 52 2.674 3.672 4.937 1.00 0.00 C ATOM 695 CG LEU A 52 4.119 3.957 5.354 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.100 3.097 4.555 1.00 0.00 C ATOM 697 CD2 LEU A 52 4.439 5.448 5.240 1.00 0.00 C ATOM 0 H LEU A 52 3.239 1.644 3.033 1.00 0.00 H new ATOM 0 HA LEU A 52 1.476 4.035 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.042 4.475 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.350 2.753 5.425 1.00 0.00 H new ATOM 0 HG LEU A 52 4.232 3.683 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.119 3.319 4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.887 2.043 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.994 3.316 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.472 5.623 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.303 5.771 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.770 6.014 5.888 1.00 0.00 H new ATOM 708 N GLN A 53 4.063 3.449 1.667 1.00 0.00 N ATOM 709 CA GLN A 53 5.084 3.974 0.775 1.00 0.00 C ATOM 710 C GLN A 53 4.868 3.449 -0.645 1.00 0.00 C ATOM 711 O GLN A 53 4.295 2.377 -0.835 1.00 0.00 O ATOM 712 CB GLN A 53 6.484 3.626 1.282 1.00 0.00 C ATOM 713 CG GLN A 53 6.537 2.191 1.808 1.00 0.00 C ATOM 714 CD GLN A 53 7.567 2.055 2.931 1.00 0.00 C ATOM 715 OE1 GLN A 53 7.965 3.020 3.562 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.976 0.807 3.142 1.00 0.00 N ATOM 0 H GLN A 53 3.847 2.461 1.535 1.00 0.00 H new ATOM 0 HA GLN A 53 5.000 5.061 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.207 3.748 0.476 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.770 4.318 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.553 1.898 2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.789 1.511 0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.601 0.045 2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.664 0.612 3.869 1.00 0.00 H new ATOM 723 N VAL A 54 5.340 4.227 -1.608 1.00 0.00 N ATOM 724 CA VAL A 54 5.207 3.854 -3.006 1.00 0.00 C ATOM 725 C VAL A 54 6.498 4.204 -3.748 1.00 0.00 C ATOM 726 O VAL A 54 7.220 5.116 -3.348 1.00 0.00 O ATOM 727 CB VAL A 54 3.969 4.523 -3.610 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.047 4.538 -5.138 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.688 3.840 -3.131 1.00 0.00 C ATOM 0 H VAL A 54 5.816 5.115 -1.447 1.00 0.00 H new ATOM 0 HA VAL A 54 5.059 2.778 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 54 3.944 5.557 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.156 5.018 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.932 5.091 -5.452 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.108 3.515 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.824 4.335 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.700 2.792 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.625 3.905 -2.045 1.00 0.00 H new ATOM 739 N ASN A 55 6.749 3.460 -4.816 1.00 0.00 N ATOM 740 CA ASN A 55 7.941 3.681 -5.617 1.00 0.00 C ATOM 741 C ASN A 55 9.112 4.033 -4.697 1.00 0.00 C ATOM 742 O ASN A 55 9.250 3.461 -3.617 1.00 0.00 O ATOM 743 CB ASN A 55 7.741 4.840 -6.594 1.00 0.00 C ATOM 744 CG ASN A 55 8.626 4.674 -7.831 1.00 0.00 C ATOM 745 OD1 ASN A 55 9.815 4.944 -7.817 1.00 0.00 O ATOM 746 ND2 ASN A 55 7.980 4.215 -8.900 1.00 0.00 N ATOM 0 H ASN A 55 6.148 2.704 -5.145 1.00 0.00 H new ATOM 0 HA ASN A 55 8.144 2.768 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.695 4.890 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.975 5.782 -6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.482 4.070 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.983 4.009 -8.844 1.00 0.00 H new ATOM 752 N ASP A 56 9.924 4.973 -5.159 1.00 0.00 N ATOM 753 CA ASP A 56 11.077 5.408 -4.391 1.00 0.00 C ATOM 754 C ASP A 56 10.614 6.330 -3.261 1.00 0.00 C ATOM 755 O ASP A 56 11.431 6.832 -2.490 1.00 0.00 O ATOM 756 CB ASP A 56 12.059 6.190 -5.267 1.00 0.00 C ATOM 757 CG ASP A 56 11.686 7.654 -5.506 1.00 0.00 C ATOM 758 OD1 ASP A 56 11.463 8.420 -4.556 1.00 0.00 O ATOM 759 OD2 ASP A 56 11.630 8.006 -6.746 1.00 0.00 O ATOM 0 H ASP A 56 9.806 5.445 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 56 11.573 4.521 -3.996 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.045 6.153 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.141 5.689 -6.232 1.00 0.00 H new ATOM 764 N VAL A 57 9.305 6.525 -3.198 1.00 0.00 N ATOM 765 CA VAL A 57 8.723 7.378 -2.176 1.00 0.00 C ATOM 766 C VAL A 57 8.561 6.577 -0.882 1.00 0.00 C ATOM 767 O VAL A 57 8.367 5.363 -0.919 1.00 0.00 O ATOM 768 CB VAL A 57 7.407 7.974 -2.678 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.428 8.193 -1.523 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.653 9.277 -3.443 1.00 0.00 C ATOM 0 H VAL A 57 8.631 6.107 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 57 9.383 8.218 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 57 6.957 7.260 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.501 8.618 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.217 7.239 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.868 8.878 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.702 9.681 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.136 10.000 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.297 9.080 -4.300 1.00 0.00 H new ATOM 780 N ASN A 58 8.647 7.290 0.232 1.00 0.00 N ATOM 781 CA ASN A 58 8.512 6.661 1.535 1.00 0.00 C ATOM 782 C ASN A 58 7.919 7.667 2.523 1.00 0.00 C ATOM 783 O ASN A 58 8.654 8.388 3.196 1.00 0.00 O ATOM 784 CB ASN A 58 9.872 6.214 2.074 1.00 0.00 C ATOM 785 CG ASN A 58 10.834 7.400 2.187 1.00 0.00 C ATOM 786 OD1 ASN A 58 10.581 8.485 1.692 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.945 7.131 2.865 1.00 0.00 N ATOM 0 H ASN A 58 8.808 8.297 0.259 1.00 0.00 H new ATOM 0 HA ASN A 58 7.864 5.791 1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.745 5.750 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.298 5.457 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.650 7.856 2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.093 6.199 3.253 1.00 0.00 H new ATOM 793 N PHE A 59 6.595 7.684 2.578 1.00 0.00 N ATOM 794 CA PHE A 59 5.895 8.589 3.473 1.00 0.00 C ATOM 795 C PHE A 59 5.873 8.041 4.901 1.00 0.00 C ATOM 796 O PHE A 59 4.818 7.978 5.530 1.00 0.00 O ATOM 797 CB PHE A 59 4.457 8.700 2.961 1.00 0.00 C ATOM 798 CG PHE A 59 4.340 9.314 1.564 1.00 0.00 C ATOM 799 CD1 PHE A 59 5.090 10.400 1.233 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.485 8.775 0.653 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.981 10.970 -0.063 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.377 9.344 -0.642 1.00 0.00 C ATOM 803 CZ PHE A 59 4.127 10.430 -0.973 1.00 0.00 C ATOM 0 H PHE A 59 5.989 7.085 2.017 1.00 0.00 H new ATOM 0 HA PHE A 59 6.397 9.556 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.009 7.707 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.878 9.302 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.768 10.828 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.889 7.914 0.916 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.576 11.832 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.699 8.915 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.044 10.863 -1.959 1.00 0.00 H new ATOM 812 N GLU A 60 7.052 7.660 5.372 1.00 0.00 N ATOM 813 CA GLU A 60 7.182 7.121 6.715 1.00 0.00 C ATOM 814 C GLU A 60 6.767 8.167 7.750 1.00 0.00 C ATOM 815 O GLU A 60 5.690 8.071 8.337 1.00 0.00 O ATOM 816 CB GLU A 60 8.608 6.631 6.973 1.00 0.00 C ATOM 817 CG GLU A 60 8.828 5.242 6.370 1.00 0.00 C ATOM 818 CD GLU A 60 9.994 5.253 5.378 1.00 0.00 C ATOM 819 OE1 GLU A 60 10.637 6.296 5.189 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.226 4.125 4.795 1.00 0.00 O ATOM 0 H GLU A 60 7.925 7.714 4.848 1.00 0.00 H new ATOM 0 HA GLU A 60 6.515 6.264 6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.321 7.335 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.797 6.600 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.029 4.524 7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.920 4.913 5.865 1.00 0.00 H new ATOM 826 N ASN A 61 7.642 9.142 7.943 1.00 0.00 N ATOM 827 CA ASN A 61 7.379 10.205 8.899 1.00 0.00 C ATOM 828 C ASN A 61 5.920 10.649 8.772 1.00 0.00 C ATOM 829 O ASN A 61 5.324 11.118 9.740 1.00 0.00 O ATOM 830 CB ASN A 61 8.269 11.421 8.628 1.00 0.00 C ATOM 831 CG ASN A 61 9.256 11.643 9.775 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.669 10.722 10.459 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.611 12.914 9.945 1.00 0.00 N ATOM 0 H ASN A 61 8.534 9.219 7.454 1.00 0.00 H new ATOM 0 HA ASN A 61 7.587 9.821 9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.815 11.276 7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.649 12.308 8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.267 13.166 10.684 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.227 13.637 9.336 1.00 0.00 H new ATOM 839 N MET A 62 5.387 10.486 7.570 1.00 0.00 N ATOM 840 CA MET A 62 4.010 10.865 7.304 1.00 0.00 C ATOM 841 C MET A 62 3.047 10.103 8.216 1.00 0.00 C ATOM 842 O MET A 62 2.558 10.650 9.203 1.00 0.00 O ATOM 843 CB MET A 62 3.671 10.567 5.842 1.00 0.00 C ATOM 844 CG MET A 62 3.222 11.835 5.113 1.00 0.00 C ATOM 845 SD MET A 62 4.020 11.939 3.520 1.00 0.00 S ATOM 846 CE MET A 62 2.691 11.375 2.471 1.00 0.00 C ATOM 0 H MET A 62 5.884 10.096 6.769 1.00 0.00 H new ATOM 0 HA MET A 62 3.902 11.932 7.501 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.543 10.145 5.342 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.882 9.817 5.794 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.139 11.828 4.987 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.467 12.714 5.710 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.038 11.327 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.369 10.384 2.792 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.853 12.069 2.541 1.00 0.00 H new ATOM 854 N SER A 63 2.803 8.852 7.853 1.00 0.00 N ATOM 855 CA SER A 63 1.906 8.010 8.627 1.00 0.00 C ATOM 856 C SER A 63 0.819 8.866 9.283 1.00 0.00 C ATOM 857 O SER A 63 0.603 8.781 10.491 1.00 0.00 O ATOM 858 CB SER A 63 2.672 7.219 9.689 1.00 0.00 C ATOM 859 OG SER A 63 1.828 6.806 10.760 1.00 0.00 O ATOM 0 H SER A 63 3.211 8.401 7.034 1.00 0.00 H new ATOM 0 HA SER A 63 1.437 7.296 7.949 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.129 6.343 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.483 7.832 10.082 1.00 0.00 H new ATOM 0 HG SER A 63 1.446 7.595 11.198 1.00 0.00 H new ATOM 864 N ASN A 64 0.165 9.670 8.457 1.00 0.00 N ATOM 865 CA ASN A 64 -0.893 10.539 8.942 1.00 0.00 C ATOM 866 C ASN A 64 -2.233 9.809 8.842 1.00 0.00 C ATOM 867 O ASN A 64 -3.280 10.440 8.710 1.00 0.00 O ATOM 868 CB ASN A 64 -0.986 11.814 8.102 1.00 0.00 C ATOM 869 CG ASN A 64 -1.350 13.019 8.972 1.00 0.00 C ATOM 870 OD1 ASN A 64 -2.453 13.139 9.481 1.00 0.00 O ATOM 871 ND2 ASN A 64 -0.367 13.903 9.112 1.00 0.00 N ATOM 0 H ASN A 64 0.348 9.738 7.456 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.666 10.803 9.975 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.034 11.995 7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.735 11.685 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -0.512 14.743 9.673 1.00 0.00 H new ATOM 0 HD22 ASN A 64 0.532 13.742 8.659 1.00 0.00 H new ATOM 877 N ASP A 65 -2.158 8.487 8.912 1.00 0.00 N ATOM 878 CA ASP A 65 -3.351 7.664 8.831 1.00 0.00 C ATOM 879 C ASP A 65 -4.284 8.229 7.757 1.00 0.00 C ATOM 880 O ASP A 65 -5.501 8.079 7.846 1.00 0.00 O ATOM 881 CB ASP A 65 -4.110 7.662 10.161 1.00 0.00 C ATOM 882 CG ASP A 65 -4.830 6.353 10.491 1.00 0.00 C ATOM 883 OD1 ASP A 65 -4.832 5.900 11.646 1.00 0.00 O ATOM 884 OD2 ASP A 65 -5.414 5.784 9.492 1.00 0.00 O ATOM 0 H ASP A 65 -1.288 7.966 9.024 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.043 6.647 8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.407 7.885 10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.843 8.469 10.145 1.00 0.00 H new ATOM 889 N ASP A 66 -3.675 8.865 6.766 1.00 0.00 N ATOM 890 CA ASP A 66 -4.436 9.454 5.677 1.00 0.00 C ATOM 891 C ASP A 66 -3.483 9.820 4.537 1.00 0.00 C ATOM 892 O ASP A 66 -3.727 10.776 3.803 1.00 0.00 O ATOM 893 CB ASP A 66 -5.148 10.730 6.127 1.00 0.00 C ATOM 894 CG ASP A 66 -4.226 11.912 6.429 1.00 0.00 C ATOM 895 OD1 ASP A 66 -3.227 12.140 5.729 1.00 0.00 O ATOM 896 OD2 ASP A 66 -4.571 12.628 7.445 1.00 0.00 O ATOM 0 H ASP A 66 -2.665 8.985 6.695 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.178 8.725 5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.853 11.028 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.732 10.507 7.020 1.00 0.00 H new ATOM 901 N ALA A 67 -2.419 9.039 4.423 1.00 0.00 N ATOM 902 CA ALA A 67 -1.429 9.270 3.384 1.00 0.00 C ATOM 903 C ALA A 67 -2.097 9.147 2.014 1.00 0.00 C ATOM 904 O ALA A 67 -1.529 9.560 1.003 1.00 0.00 O ATOM 905 CB ALA A 67 -0.268 8.288 3.558 1.00 0.00 C ATOM 0 H ALA A 67 -2.221 8.246 5.033 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.018 10.277 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.475 8.461 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.190 8.436 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.641 7.267 3.483 1.00 0.00 H new ATOM 911 N VAL A 68 -3.293 8.577 2.022 1.00 0.00 N ATOM 912 CA VAL A 68 -4.044 8.395 0.791 1.00 0.00 C ATOM 913 C VAL A 68 -4.219 9.748 0.100 1.00 0.00 C ATOM 914 O VAL A 68 -4.083 9.849 -1.119 1.00 0.00 O ATOM 915 CB VAL A 68 -5.374 7.698 1.088 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.449 8.120 0.086 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.205 6.178 1.105 1.00 0.00 C ATOM 0 H VAL A 68 -3.761 8.235 2.861 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.499 7.748 0.103 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.701 8.009 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.384 7.611 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.599 9.198 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.132 7.853 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.165 5.708 1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.844 5.841 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.486 5.900 1.876 1.00 0.00 H new ATOM 927 N ARG A 69 -4.517 10.756 0.908 1.00 0.00 N ATOM 928 CA ARG A 69 -4.712 12.098 0.390 1.00 0.00 C ATOM 929 C ARG A 69 -3.640 12.426 -0.653 1.00 0.00 C ATOM 930 O ARG A 69 -3.858 13.256 -1.533 1.00 0.00 O ATOM 931 CB ARG A 69 -4.655 13.136 1.512 1.00 0.00 C ATOM 932 CG ARG A 69 -4.795 14.554 0.956 1.00 0.00 C ATOM 933 CD ARG A 69 -5.984 15.278 1.590 1.00 0.00 C ATOM 934 NE ARG A 69 -7.077 15.418 0.603 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.372 15.618 0.929 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.746 15.702 2.223 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.266 15.729 -0.036 1.00 0.00 N ATOM 0 H ARG A 69 -4.628 10.669 1.918 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.698 12.134 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.451 12.943 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.711 13.044 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.880 15.115 1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.925 14.513 -0.125 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.337 14.723 2.459 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.675 16.261 1.944 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.837 15.360 -0.387 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.049 15.614 2.962 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.726 15.853 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -8.975 15.663 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.248 15.880 0.194 1.00 0.00 H new ATOM 947 N VAL A 70 -2.505 11.756 -0.517 1.00 0.00 N ATOM 948 CA VAL A 70 -1.398 11.966 -1.435 1.00 0.00 C ATOM 949 C VAL A 70 -1.284 10.761 -2.372 1.00 0.00 C ATOM 950 O VAL A 70 -1.164 10.923 -3.585 1.00 0.00 O ATOM 951 CB VAL A 70 -0.112 12.239 -0.653 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.960 11.199 -0.980 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.399 13.656 -0.916 1.00 0.00 C ATOM 0 H VAL A 70 -2.328 11.068 0.215 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.577 12.845 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.342 12.158 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.864 11.417 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.596 10.206 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 70 1.186 11.232 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.314 13.824 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.605 13.777 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.357 14.378 -0.608 1.00 0.00 H new ATOM 963 N LEU A 71 -1.325 9.580 -1.773 1.00 0.00 N ATOM 964 CA LEU A 71 -1.226 8.349 -2.538 1.00 0.00 C ATOM 965 C LEU A 71 -2.211 8.401 -3.708 1.00 0.00 C ATOM 966 O LEU A 71 -1.869 8.024 -4.828 1.00 0.00 O ATOM 967 CB LEU A 71 -1.418 7.135 -1.626 1.00 0.00 C ATOM 968 CG LEU A 71 -0.554 5.913 -1.945 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.593 5.775 -0.943 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.406 4.644 -2.020 1.00 0.00 C ATOM 0 H LEU A 71 -1.425 9.450 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.228 8.244 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.215 7.441 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.465 6.836 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.106 6.059 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.191 4.899 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.220 6.666 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.187 5.662 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.768 3.790 -2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.902 4.481 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.156 4.755 -2.803 1.00 0.00 H new ATOM 981 N ARG A 72 -3.412 8.871 -3.409 1.00 0.00 N ATOM 982 CA ARG A 72 -4.448 8.978 -4.422 1.00 0.00 C ATOM 983 C ARG A 72 -4.016 9.951 -5.521 1.00 0.00 C ATOM 984 O ARG A 72 -4.563 9.929 -6.623 1.00 0.00 O ATOM 985 CB ARG A 72 -5.767 9.459 -3.813 1.00 0.00 C ATOM 986 CG ARG A 72 -6.922 9.285 -4.801 1.00 0.00 C ATOM 987 CD ARG A 72 -7.959 10.399 -4.634 1.00 0.00 C ATOM 988 NE ARG A 72 -8.016 11.224 -5.861 1.00 0.00 N ATOM 989 CZ ARG A 72 -8.569 12.455 -5.920 1.00 0.00 C ATOM 990 NH1 ARG A 72 -9.117 13.012 -4.821 1.00 0.00 N ATOM 991 NH2 ARG A 72 -8.564 13.104 -7.070 1.00 0.00 N ATOM 0 H ARG A 72 -3.692 9.182 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.599 7.986 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.976 8.900 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.680 10.508 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.537 9.291 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.396 8.316 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.939 9.968 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.701 11.023 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.613 10.839 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.116 12.503 -3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.533 13.942 -4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.147 12.675 -7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.977 14.034 -7.132 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.039 10.779 -5.185 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.529 11.758 -6.130 1.00 0.00 C ATOM 1003 C GLU A 73 -1.575 11.089 -7.122 1.00 0.00 C ATOM 1004 O GLU A 73 -1.347 11.607 -8.214 1.00 0.00 O ATOM 1005 CB GLU A 73 -1.842 12.916 -5.403 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.320 12.809 -5.518 1.00 0.00 C ATOM 1007 CD GLU A 73 0.365 14.018 -4.879 1.00 0.00 C ATOM 1008 OE1 GLU A 73 0.048 15.166 -5.225 1.00 0.00 O ATOM 1009 OE2 GLU A 73 1.255 13.734 -3.989 1.00 0.00 O ATOM 0 H GLU A 73 -2.586 10.793 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.370 12.171 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.176 13.864 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.132 12.914 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.021 11.895 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.035 12.738 -6.568 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.044 9.949 -6.706 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.120 9.205 -7.545 1.00 0.00 C ATOM 1017 C ILE A 74 -0.863 8.683 -8.777 1.00 0.00 C ATOM 1018 O ILE A 74 -0.947 9.371 -9.793 1.00 0.00 O ATOM 1019 CB ILE A 74 0.573 8.107 -6.735 1.00 0.00 C ATOM 1020 CG1 ILE A 74 1.167 8.671 -5.443 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.624 7.383 -7.580 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.626 9.083 -5.644 1.00 0.00 C ATOM 0 H ILE A 74 -1.236 9.522 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 74 0.677 9.856 -7.905 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.176 7.369 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.584 9.532 -5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.102 7.924 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.102 6.608 -6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.144 6.928 -8.446 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.376 8.097 -7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.024 9.480 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.211 8.215 -5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.685 9.848 -6.418 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.384 7.472 -8.646 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.116 6.851 -9.736 1.00 0.00 C ATOM 1035 C VAL A 75 -2.951 7.913 -10.455 1.00 0.00 C ATOM 1036 O VAL A 75 -3.066 7.893 -11.679 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.957 5.688 -9.205 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.213 4.359 -9.356 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.366 5.926 -7.751 1.00 0.00 C ATOM 0 H VAL A 75 -1.314 6.904 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.427 6.430 -10.468 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.866 5.632 -9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.833 3.549 -8.971 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.996 4.181 -10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.279 4.399 -8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.963 5.085 -7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.473 6.022 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.954 6.841 -7.684 1.00 0.00 H new ATOM 1049 N SER A 76 -3.512 8.816 -9.662 1.00 0.00 N ATOM 1050 CA SER A 76 -4.332 9.883 -10.207 1.00 0.00 C ATOM 1051 C SER A 76 -3.575 10.607 -11.322 1.00 0.00 C ATOM 1052 O SER A 76 -4.015 10.617 -12.471 1.00 0.00 O ATOM 1053 CB SER A 76 -4.743 10.873 -9.116 1.00 0.00 C ATOM 1054 OG SER A 76 -5.157 12.125 -9.658 1.00 0.00 O ATOM 0 H SER A 76 -3.414 8.829 -8.647 1.00 0.00 H new ATOM 0 HA SER A 76 -5.239 9.441 -10.620 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.555 10.447 -8.527 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.906 11.031 -8.436 1.00 0.00 H new ATOM 0 HG SER A 76 -5.413 12.728 -8.929 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.450 11.196 -10.945 1.00 0.00 N ATOM 1060 CA GLN A 77 -1.628 11.921 -11.898 1.00 0.00 C ATOM 1061 C GLN A 77 -0.159 11.522 -11.744 1.00 0.00 C ATOM 1062 O GLN A 77 0.188 10.350 -11.886 1.00 0.00 O ATOM 1063 CB GLN A 77 -1.805 13.433 -11.739 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.274 13.831 -11.896 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.415 15.061 -12.796 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.470 16.192 -12.342 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.468 14.777 -14.094 1.00 0.00 N ATOM 0 H GLN A 77 -2.088 11.186 -9.991 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.953 11.655 -12.904 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.443 13.744 -10.759 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.202 13.954 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.837 12.999 -12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.704 14.041 -10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.416 13.807 -14.406 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.560 15.529 -14.777 1.00 0.00 H new ATOM 1074 N THR A 78 0.665 12.519 -11.456 1.00 0.00 N ATOM 1075 CA THR A 78 2.089 12.288 -11.281 1.00 0.00 C ATOM 1076 C THR A 78 2.324 11.125 -10.313 1.00 0.00 C ATOM 1077 O THR A 78 1.374 10.510 -9.834 1.00 0.00 O ATOM 1078 CB THR A 78 2.729 13.599 -10.823 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.907 14.026 -9.739 1.00 0.00 O ATOM 1080 CG2 THR A 78 2.586 14.715 -11.861 1.00 0.00 C ATOM 0 H THR A 78 0.373 13.489 -11.339 1.00 0.00 H new ATOM 0 HA THR A 78 2.560 11.991 -12.218 1.00 0.00 H new ATOM 0 HB THR A 78 3.785 13.433 -10.612 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.252 14.870 -9.380 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.057 15.623 -11.486 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.070 14.412 -12.790 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.529 14.905 -12.048 1.00 0.00 H new ATOM 1088 N GLY A 79 3.597 10.861 -10.056 1.00 0.00 N ATOM 1089 CA GLY A 79 3.970 9.784 -9.154 1.00 0.00 C ATOM 1090 C GLY A 79 3.907 8.430 -9.862 1.00 0.00 C ATOM 1091 O GLY A 79 2.841 8.008 -10.309 1.00 0.00 O ATOM 0 H GLY A 79 4.383 11.374 -10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.978 9.954 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.303 9.779 -8.292 1.00 0.00 H new ATOM 1095 N PRO A 80 5.093 7.768 -9.946 1.00 0.00 N ATOM 1096 CA PRO A 80 5.181 6.470 -10.592 1.00 0.00 C ATOM 1097 C PRO A 80 4.592 5.373 -9.703 1.00 0.00 C ATOM 1098 O PRO A 80 4.661 5.458 -8.478 1.00 0.00 O ATOM 1099 CB PRO A 80 6.661 6.273 -10.876 1.00 0.00 C ATOM 1100 CG PRO A 80 7.394 7.248 -9.968 1.00 0.00 C ATOM 1101 CD PRO A 80 6.374 8.238 -9.428 1.00 0.00 C ATOM 0 HA PRO A 80 4.601 6.418 -11.513 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.964 5.246 -10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.887 6.470 -11.924 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.880 6.716 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.177 7.769 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.378 8.256 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.589 9.252 -9.765 1.00 0.00 H new ATOM 1106 N ILE A 81 4.027 4.368 -10.355 1.00 0.00 N ATOM 1107 CA ILE A 81 3.426 3.256 -9.638 1.00 0.00 C ATOM 1108 C ILE A 81 4.528 2.306 -9.162 1.00 0.00 C ATOM 1109 O ILE A 81 5.530 2.119 -9.850 1.00 0.00 O ATOM 1110 CB ILE A 81 2.360 2.576 -10.500 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.981 3.193 -10.253 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.357 1.062 -10.279 1.00 0.00 C ATOM 1113 CD1 ILE A 81 0.011 2.836 -11.382 1.00 0.00 C ATOM 0 H ILE A 81 3.973 4.300 -11.371 1.00 0.00 H new ATOM 0 HA ILE A 81 2.905 3.613 -8.749 1.00 0.00 H new ATOM 0 HB ILE A 81 2.609 2.747 -11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.585 2.838 -9.302 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.072 4.276 -10.176 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.590 0.605 -10.904 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.332 0.654 -10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.147 0.848 -9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.961 3.286 -11.182 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.399 3.214 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.096 1.753 -11.441 1.00 0.00 H new ATOM 1124 N SER A 82 4.304 1.732 -7.989 1.00 0.00 N ATOM 1125 CA SER A 82 5.266 0.807 -7.413 1.00 0.00 C ATOM 1126 C SER A 82 5.105 0.765 -5.892 1.00 0.00 C ATOM 1127 O SER A 82 6.091 0.820 -5.159 1.00 0.00 O ATOM 1128 CB SER A 82 6.697 1.198 -7.785 1.00 0.00 C ATOM 1129 OG SER A 82 7.153 0.511 -8.948 1.00 0.00 O ATOM 0 H SER A 82 3.471 1.889 -7.422 1.00 0.00 H new ATOM 0 HA SER A 82 5.072 -0.185 -7.820 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.746 2.273 -7.957 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.362 0.978 -6.950 1.00 0.00 H new ATOM 0 HG SER A 82 6.892 1.013 -9.748 1.00 0.00 H new ATOM 1134 N LEU A 83 3.855 0.670 -5.463 1.00 0.00 N ATOM 1135 CA LEU A 83 3.553 0.620 -4.043 1.00 0.00 C ATOM 1136 C LEU A 83 4.713 -0.048 -3.303 1.00 0.00 C ATOM 1137 O LEU A 83 5.324 -0.986 -3.815 1.00 0.00 O ATOM 1138 CB LEU A 83 2.201 -0.055 -3.806 1.00 0.00 C ATOM 1139 CG LEU A 83 1.259 -0.108 -5.009 1.00 0.00 C ATOM 1140 CD1 LEU A 83 1.704 -1.179 -6.008 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.191 -0.310 -4.562 1.00 0.00 C ATOM 0 H LEU A 83 3.040 0.626 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 83 3.455 1.627 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.381 -1.075 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.694 0.467 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 83 1.308 0.852 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.017 -1.196 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.710 -0.951 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.703 -2.154 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.840 -0.344 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.275 -1.247 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.492 0.517 -3.919 1.00 0.00 H new ATOM 1152 N THR A 84 4.982 0.458 -2.108 1.00 0.00 N ATOM 1153 CA THR A 84 6.058 -0.079 -1.292 1.00 0.00 C ATOM 1154 C THR A 84 5.582 -0.285 0.147 1.00 0.00 C ATOM 1155 O THR A 84 4.804 0.512 0.668 1.00 0.00 O ATOM 1156 CB THR A 84 7.255 0.867 -1.406 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.544 0.892 -2.802 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.522 0.286 -0.774 1.00 0.00 C ATOM 0 H THR A 84 4.473 1.234 -1.685 1.00 0.00 H new ATOM 0 HA THR A 84 6.368 -1.063 -1.643 1.00 0.00 H new ATOM 0 HB THR A 84 7.014 1.817 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.052 1.702 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.341 0.997 -0.882 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.346 0.094 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.783 -0.647 -1.274 1.00 0.00 H new ATOM 1166 N VAL A 85 6.071 -1.360 0.749 1.00 0.00 N ATOM 1167 CA VAL A 85 5.706 -1.683 2.118 1.00 0.00 C ATOM 1168 C VAL A 85 6.949 -2.155 2.875 1.00 0.00 C ATOM 1169 O VAL A 85 7.904 -2.637 2.268 1.00 0.00 O ATOM 1170 CB VAL A 85 4.572 -2.709 2.130 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.379 -2.219 1.306 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.060 -4.071 1.632 1.00 0.00 C ATOM 0 H VAL A 85 6.717 -2.018 0.313 1.00 0.00 H new ATOM 0 HA VAL A 85 5.330 -0.798 2.632 1.00 0.00 H new ATOM 0 HB VAL A 85 4.240 -2.828 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.587 -2.968 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.008 -1.283 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.691 -2.056 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.234 -4.782 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.432 -3.974 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.862 -4.429 2.278 1.00 0.00 H new ATOM 1182 N ALA A 86 6.895 -2.001 4.190 1.00 0.00 N ATOM 1183 CA ALA A 86 8.006 -2.406 5.036 1.00 0.00 C ATOM 1184 C ALA A 86 7.770 -3.835 5.529 1.00 0.00 C ATOM 1185 O ALA A 86 8.087 -4.161 6.673 1.00 0.00 O ATOM 1186 CB ALA A 86 8.160 -1.411 6.187 1.00 0.00 C ATOM 0 H ALA A 86 6.101 -1.602 4.690 1.00 0.00 H new ATOM 0 HA ALA A 86 8.939 -2.401 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.993 -1.714 6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.354 -0.417 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.243 -1.392 6.776 1.00 0.00 H new