USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 384 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 57:sc= 0.707 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -159:sc= 0 (180deg=-0.111) USER MOD Single : A 53 GLN : amide:sc= -2.92 K(o=-2.9,f=-0.98) USER MOD Single : A 55 ASN : amide:sc= -4.48! C(o=-4.5!,f=-5!) USER MOD Single : A 58 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.8!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -108:sc= -7.44! (180deg=-13.1!) USER MOD Single : A 63 SER OG : rot -63:sc= 0.924 USER MOD Single : A 64 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.0098) 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=0.000846 USER MOD Single : A 82 SER OG : rot 65:sc= 1.1 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0527 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 6.278 -4.751 -3.377 1.00 0.00 N ATOM 16 CA VAL A 2 5.832 -5.564 -4.495 1.00 0.00 C ATOM 17 C VAL A 2 5.765 -4.698 -5.755 1.00 0.00 C ATOM 18 O VAL A 2 5.048 -3.698 -5.787 1.00 0.00 O ATOM 19 CB VAL A 2 4.499 -6.234 -4.158 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.044 -7.154 -5.293 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.589 -6.998 -2.835 1.00 0.00 C ATOM 0 HA VAL A 2 6.543 -6.367 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 2 3.750 -5.450 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.094 -7.617 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.921 -6.572 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.793 -7.929 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.628 -7.465 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.358 -7.767 -2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.845 -6.307 -2.032 1.00 0.00 H new ATOM 31 N THR A 3 6.518 -5.114 -6.763 1.00 0.00 N ATOM 32 CA THR A 3 6.552 -4.388 -8.021 1.00 0.00 C ATOM 33 C THR A 3 5.595 -5.027 -9.030 1.00 0.00 C ATOM 34 O THR A 3 5.962 -5.969 -9.730 1.00 0.00 O ATOM 35 CB THR A 3 8.003 -4.346 -8.503 1.00 0.00 C ATOM 36 OG1 THR A 3 8.669 -3.551 -7.526 1.00 0.00 O ATOM 37 CG2 THR A 3 8.165 -3.554 -9.802 1.00 0.00 C ATOM 0 H THR A 3 7.109 -5.945 -6.734 1.00 0.00 H new ATOM 0 HA THR A 3 6.206 -3.362 -7.896 1.00 0.00 H new ATOM 0 HB THR A 3 8.367 -5.363 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.618 -3.473 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.213 -3.555 -10.100 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.564 -4.014 -10.586 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.833 -2.527 -9.646 1.00 0.00 H new ATOM 201 N ILE A 14 -8.420 0.386 -2.914 1.00 0.00 N ATOM 202 CA ILE A 14 -7.504 0.253 -1.794 1.00 0.00 C ATOM 203 C ILE A 14 -7.903 1.242 -0.696 1.00 0.00 C ATOM 204 O ILE A 14 -8.788 2.072 -0.895 1.00 0.00 O ATOM 205 CB ILE A 14 -6.057 0.406 -2.263 1.00 0.00 C ATOM 206 CG1 ILE A 14 -5.930 1.529 -3.294 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.509 -0.921 -2.793 1.00 0.00 C ATOM 208 CD1 ILE A 14 -4.659 2.348 -3.059 1.00 0.00 C ATOM 0 HA ILE A 14 -7.570 -0.746 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.448 0.687 -1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.913 1.105 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.802 2.180 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.478 -0.784 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.542 -1.670 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.116 -1.255 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.593 3.140 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.690 2.790 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.787 1.699 -3.141 1.00 0.00 H new ATOM 219 N SER A 15 -7.229 1.120 0.438 1.00 0.00 N ATOM 220 CA SER A 15 -7.502 1.992 1.568 1.00 0.00 C ATOM 221 C SER A 15 -6.392 1.858 2.613 1.00 0.00 C ATOM 222 O SER A 15 -5.712 0.835 2.674 1.00 0.00 O ATOM 223 CB SER A 15 -8.861 1.674 2.194 1.00 0.00 C ATOM 224 OG SER A 15 -9.714 2.815 2.228 1.00 0.00 O ATOM 0 H SER A 15 -6.495 0.431 0.599 1.00 0.00 H new ATOM 0 HA SER A 15 -7.530 3.020 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.344 0.878 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.715 1.301 3.208 1.00 0.00 H new ATOM 0 HG SER A 15 -10.572 2.570 2.633 1.00 0.00 H new ATOM 229 N ILE A 16 -6.242 2.908 3.407 1.00 0.00 N ATOM 230 CA ILE A 16 -5.225 2.920 4.446 1.00 0.00 C ATOM 231 C ILE A 16 -5.900 2.821 5.816 1.00 0.00 C ATOM 232 O ILE A 16 -7.125 2.880 5.914 1.00 0.00 O ATOM 233 CB ILE A 16 -4.319 4.144 4.294 1.00 0.00 C ATOM 234 CG1 ILE A 16 -5.120 5.440 4.435 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.542 4.091 2.978 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.682 6.224 5.673 1.00 0.00 C ATOM 0 H ILE A 16 -6.807 3.756 3.352 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.571 2.053 4.349 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.586 4.129 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.984 6.054 3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.183 5.209 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.906 4.972 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.923 3.194 2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.242 4.069 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.267 7.140 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.842 5.616 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.625 6.475 5.590 1.00 0.00 H new ATOM 247 N VAL A 17 -5.072 2.671 6.838 1.00 0.00 N ATOM 248 CA VAL A 17 -5.573 2.563 8.198 1.00 0.00 C ATOM 249 C VAL A 17 -4.429 2.816 9.181 1.00 0.00 C ATOM 250 O VAL A 17 -3.296 3.062 8.770 1.00 0.00 O ATOM 251 CB VAL A 17 -6.245 1.203 8.401 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.202 0.099 8.586 1.00 0.00 C ATOM 253 CG2 VAL A 17 -7.216 1.242 9.582 1.00 0.00 C ATOM 0 H VAL A 17 -4.057 2.622 6.752 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.335 3.320 8.385 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.819 0.976 7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.706 -0.857 8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.567 0.047 7.702 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.589 0.320 9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.680 0.263 9.704 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.673 1.502 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.988 1.988 9.394 1.00 0.00 H new ATOM 263 N GLY A 18 -4.765 2.748 10.461 1.00 0.00 N ATOM 264 CA GLY A 18 -3.779 2.969 11.506 1.00 0.00 C ATOM 265 C GLY A 18 -4.003 2.015 12.680 1.00 0.00 C ATOM 266 O GLY A 18 -4.684 1.000 12.540 1.00 0.00 O ATOM 0 H GLY A 18 -5.706 2.543 10.798 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.777 2.825 11.102 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.838 4.000 11.854 1.00 0.00 H new ATOM 366 N GLY A 27 2.971 3.820 11.813 1.00 0.00 N ATOM 367 CA GLY A 27 3.152 3.298 10.470 1.00 0.00 C ATOM 368 C GLY A 27 1.813 2.875 9.861 1.00 0.00 C ATOM 369 O GLY A 27 1.437 1.707 9.930 1.00 0.00 O ATOM 0 HA2 GLY A 27 3.618 4.056 9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.830 2.445 10.496 1.00 0.00 H new ATOM 373 N ILE A 28 1.130 3.850 9.278 1.00 0.00 N ATOM 374 CA ILE A 28 -0.158 3.595 8.658 1.00 0.00 C ATOM 375 C ILE A 28 -0.044 2.380 7.735 1.00 0.00 C ATOM 376 O ILE A 28 0.921 2.257 6.982 1.00 0.00 O ATOM 377 CB ILE A 28 -0.675 4.853 7.957 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.886 5.990 8.958 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.943 4.552 7.154 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.817 5.557 10.093 1.00 0.00 C ATOM 0 H ILE A 28 1.445 4.818 9.222 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.903 3.352 9.416 1.00 0.00 H new ATOM 0 HB ILE A 28 0.083 5.185 7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.075 6.300 9.369 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.308 6.855 8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.289 5.463 6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.725 3.796 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.719 4.182 7.824 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.950 6.384 10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.785 5.271 9.681 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.380 4.707 10.617 1.00 0.00 H new ATOM 391 N TYR A 29 -1.041 1.512 7.824 1.00 0.00 N ATOM 392 CA TYR A 29 -1.064 0.311 7.007 1.00 0.00 C ATOM 393 C TYR A 29 -2.294 0.290 6.097 1.00 0.00 C ATOM 394 O TYR A 29 -3.245 1.039 6.317 1.00 0.00 O ATOM 395 CB TYR A 29 -1.146 -0.863 7.983 1.00 0.00 C ATOM 396 CG TYR A 29 -0.346 -0.658 9.271 1.00 0.00 C ATOM 397 CD1 TYR A 29 1.002 -0.950 9.301 1.00 0.00 C ATOM 398 CD2 TYR A 29 -0.973 -0.180 10.405 1.00 0.00 C ATOM 399 CE1 TYR A 29 1.755 -0.757 10.513 1.00 0.00 C ATOM 400 CE2 TYR A 29 -0.220 0.013 11.617 1.00 0.00 C ATOM 401 CZ TYR A 29 1.107 -0.286 11.611 1.00 0.00 C ATOM 402 OH TYR A 29 1.818 -0.103 12.756 1.00 0.00 O ATOM 0 H TYR A 29 -1.839 1.617 8.450 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.180 0.264 6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.191 -1.036 8.240 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.787 -1.763 7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.493 -1.324 8.415 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.028 0.049 10.383 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.811 -0.981 10.549 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.698 0.387 12.511 1.00 0.00 H new ATOM 0 HH TYR A 29 1.226 0.239 13.458 1.00 0.00 H new ATOM 411 N ILE A 30 -2.235 -0.575 5.095 1.00 0.00 N ATOM 412 CA ILE A 30 -3.333 -0.703 4.152 1.00 0.00 C ATOM 413 C ILE A 30 -4.572 -1.221 4.886 1.00 0.00 C ATOM 414 O ILE A 30 -4.536 -2.289 5.495 1.00 0.00 O ATOM 415 CB ILE A 30 -2.918 -1.569 2.962 1.00 0.00 C ATOM 416 CG1 ILE A 30 -3.673 -1.157 1.695 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.092 -3.056 3.276 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.251 0.238 1.234 1.00 0.00 C ATOM 0 H ILE A 30 -1.444 -1.194 4.916 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.592 0.270 3.735 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.857 -1.404 2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.481 -1.879 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.746 -1.171 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.789 -3.648 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.473 -3.322 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.138 -3.259 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.802 0.506 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.467 0.962 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.182 0.243 1.020 1.00 0.00 H new ATOM 429 N GLY A 31 -5.639 -0.439 4.804 1.00 0.00 N ATOM 430 CA GLY A 31 -6.887 -0.805 5.452 1.00 0.00 C ATOM 431 C GLY A 31 -7.332 -2.207 5.031 1.00 0.00 C ATOM 432 O GLY A 31 -7.655 -3.040 5.877 1.00 0.00 O ATOM 0 H GLY A 31 -5.665 0.447 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.763 -0.768 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.660 -0.081 5.195 1.00 0.00 H new ATOM 436 N SER A 32 -7.337 -2.424 3.724 1.00 0.00 N ATOM 437 CA SER A 32 -7.739 -3.710 3.181 1.00 0.00 C ATOM 438 C SER A 32 -7.653 -3.683 1.653 1.00 0.00 C ATOM 439 O SER A 32 -7.569 -2.612 1.051 1.00 0.00 O ATOM 440 CB SER A 32 -9.156 -4.078 3.626 1.00 0.00 C ATOM 441 OG SER A 32 -9.150 -5.017 4.698 1.00 0.00 O ATOM 0 H SER A 32 -7.069 -1.731 3.025 1.00 0.00 H new ATOM 0 HA SER A 32 -7.058 -4.470 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.685 -3.177 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.705 -4.495 2.782 1.00 0.00 H new ATOM 0 HG SER A 32 -8.638 -4.652 5.450 1.00 0.00 H new ATOM 446 N ILE A 33 -7.677 -4.871 1.069 1.00 0.00 N ATOM 447 CA ILE A 33 -7.603 -4.997 -0.377 1.00 0.00 C ATOM 448 C ILE A 33 -8.755 -5.877 -0.867 1.00 0.00 C ATOM 449 O ILE A 33 -8.870 -7.034 -0.468 1.00 0.00 O ATOM 450 CB ILE A 33 -6.222 -5.498 -0.802 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.126 -4.528 -0.356 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.174 -5.765 -2.307 1.00 0.00 C ATOM 453 CD1 ILE A 33 -4.759 -4.752 1.113 1.00 0.00 C ATOM 0 H ILE A 33 -7.747 -5.756 1.571 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.722 -4.023 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.035 -6.448 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.242 -4.661 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.464 -3.502 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.181 -6.120 -2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.915 -6.522 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.392 -4.844 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.978 -4.050 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.639 -4.594 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.398 -5.772 1.246 1.00 0.00 H new ATOM 464 N MET A 34 -9.578 -5.294 -1.727 1.00 0.00 N ATOM 465 CA MET A 34 -10.715 -6.012 -2.277 1.00 0.00 C ATOM 466 C MET A 34 -10.310 -7.414 -2.735 1.00 0.00 C ATOM 467 O MET A 34 -9.883 -7.598 -3.875 1.00 0.00 O ATOM 468 CB MET A 34 -11.287 -5.232 -3.463 1.00 0.00 C ATOM 469 CG MET A 34 -12.115 -4.038 -2.985 1.00 0.00 C ATOM 470 SD MET A 34 -13.795 -4.549 -2.665 1.00 0.00 S ATOM 471 CE MET A 34 -14.642 -3.663 -3.963 1.00 0.00 C ATOM 0 H MET A 34 -9.480 -4.333 -2.056 1.00 0.00 H new ATOM 0 HA MET A 34 -11.470 -6.110 -1.497 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.474 -4.884 -4.100 1.00 0.00 H new ATOM 0 HB3 MET A 34 -11.908 -5.890 -4.070 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.675 -3.619 -2.080 1.00 0.00 H new ATOM 0 HG3 MET A 34 -12.103 -3.251 -3.739 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.711 -3.871 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.474 -2.593 -3.842 1.00 0.00 H new ATOM 0 HE3 MET A 34 -14.259 -3.983 -4.932 1.00 0.00 H new ATOM 595 N ILE A 45 -3.042 -10.400 -0.410 1.00 0.00 N ATOM 596 CA ILE A 45 -2.539 -9.219 0.270 1.00 0.00 C ATOM 597 C ILE A 45 -3.147 -9.143 1.671 1.00 0.00 C ATOM 598 O ILE A 45 -4.121 -9.834 1.966 1.00 0.00 O ATOM 599 CB ILE A 45 -2.785 -7.968 -0.577 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.898 -7.965 -1.823 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.606 -6.698 0.257 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.436 -8.232 -1.457 1.00 0.00 C ATOM 0 HA ILE A 45 -1.458 -9.284 0.396 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.820 -7.986 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.246 -8.725 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.980 -7.003 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.786 -5.824 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.314 -6.704 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.590 -6.660 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.173 -8.224 -2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.084 -7.457 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.354 -9.205 -0.973 1.00 0.00 H new ATOM 613 N GLU A 46 -2.549 -8.298 2.497 1.00 0.00 N ATOM 614 CA GLU A 46 -3.020 -8.123 3.860 1.00 0.00 C ATOM 615 C GLU A 46 -3.082 -6.636 4.213 1.00 0.00 C ATOM 616 O GLU A 46 -2.453 -5.810 3.553 1.00 0.00 O ATOM 617 CB GLU A 46 -2.134 -8.884 4.848 1.00 0.00 C ATOM 618 CG GLU A 46 -2.312 -10.396 4.691 1.00 0.00 C ATOM 619 CD GLU A 46 -2.478 -11.073 6.053 1.00 0.00 C ATOM 620 OE1 GLU A 46 -2.230 -10.443 7.092 1.00 0.00 O ATOM 621 OE2 GLU A 46 -2.878 -12.298 6.007 1.00 0.00 O ATOM 0 H GLU A 46 -1.742 -7.726 2.248 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.026 -8.536 3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.090 -8.618 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.383 -8.589 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.185 -10.601 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.448 -10.816 4.175 1.00 0.00 H new ATOM 627 N PRO A 47 -3.867 -6.331 5.282 1.00 0.00 N ATOM 628 CA PRO A 47 -4.020 -4.958 5.731 1.00 0.00 C ATOM 629 C PRO A 47 -2.768 -4.480 6.470 1.00 0.00 C ATOM 630 O PRO A 47 -2.403 -3.308 6.386 1.00 0.00 O ATOM 631 CB PRO A 47 -5.260 -4.966 6.608 1.00 0.00 C ATOM 632 CG PRO A 47 -5.488 -6.419 6.995 1.00 0.00 C ATOM 633 CD PRO A 47 -4.626 -7.282 6.088 1.00 0.00 C ATOM 0 HA PRO A 47 -4.138 -4.256 4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.117 -4.344 7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.120 -4.565 6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.225 -6.582 8.040 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.540 -6.683 6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.965 -7.927 6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.237 -7.932 5.462 1.00 0.00 H new ATOM 638 N GLY A 48 -2.145 -5.411 7.176 1.00 0.00 N ATOM 639 CA GLY A 48 -0.942 -5.101 7.929 1.00 0.00 C ATOM 640 C GLY A 48 0.308 -5.291 7.068 1.00 0.00 C ATOM 641 O GLY A 48 1.418 -5.385 7.591 1.00 0.00 O ATOM 0 H GLY A 48 -2.451 -6.382 7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.988 -4.073 8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.883 -5.743 8.808 1.00 0.00 H new ATOM 645 N ASP A 49 0.087 -5.342 5.763 1.00 0.00 N ATOM 646 CA ASP A 49 1.182 -5.519 4.825 1.00 0.00 C ATOM 647 C ASP A 49 2.203 -4.396 5.021 1.00 0.00 C ATOM 648 O ASP A 49 3.380 -4.561 4.707 1.00 0.00 O ATOM 649 CB ASP A 49 0.684 -5.458 3.380 1.00 0.00 C ATOM 650 CG ASP A 49 0.639 -4.056 2.769 1.00 0.00 C ATOM 651 OD1 ASP A 49 0.964 -3.863 1.589 1.00 0.00 O ATOM 652 OD2 ASP A 49 0.245 -3.125 3.571 1.00 0.00 O ATOM 0 H ASP A 49 -0.835 -5.264 5.333 1.00 0.00 H new ATOM 0 HA ASP A 49 1.631 -6.495 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.327 -6.086 2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.317 -5.888 3.338 1.00 0.00 H new ATOM 657 N MET A 50 1.713 -3.278 5.539 1.00 0.00 N ATOM 658 CA MET A 50 2.567 -2.129 5.780 1.00 0.00 C ATOM 659 C MET A 50 2.775 -1.321 4.498 1.00 0.00 C ATOM 660 O MET A 50 3.909 -1.070 4.094 1.00 0.00 O ATOM 661 CB MET A 50 3.922 -2.602 6.311 1.00 0.00 C ATOM 662 CG MET A 50 4.398 -1.718 7.466 1.00 0.00 C ATOM 663 SD MET A 50 5.470 -2.650 8.546 1.00 0.00 S ATOM 664 CE MET A 50 5.778 -1.426 9.808 1.00 0.00 C ATOM 0 H MET A 50 0.735 -3.145 5.798 1.00 0.00 H new ATOM 0 HA MET A 50 2.082 -1.488 6.516 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.844 -3.636 6.648 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.658 -2.584 5.507 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.928 -0.849 7.075 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.541 -1.344 8.026 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.690 -1.681 10.348 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.893 -0.446 9.344 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.939 -1.402 10.504 1.00 0.00 H new ATOM 672 N LEU A 51 1.661 -0.935 3.892 1.00 0.00 N ATOM 673 CA LEU A 51 1.706 -0.161 2.664 1.00 0.00 C ATOM 674 C LEU A 51 1.655 1.330 3.003 1.00 0.00 C ATOM 675 O LEU A 51 0.584 1.934 3.002 1.00 0.00 O ATOM 676 CB LEU A 51 0.602 -0.611 1.705 1.00 0.00 C ATOM 677 CG LEU A 51 0.671 -0.041 0.287 1.00 0.00 C ATOM 678 CD1 LEU A 51 0.310 1.446 0.277 1.00 0.00 C ATOM 679 CD2 LEU A 51 2.039 -0.302 -0.344 1.00 0.00 C ATOM 0 H LEU A 51 0.722 -1.144 4.230 1.00 0.00 H new ATOM 0 HA LEU A 51 2.644 -0.337 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.626 -1.699 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.361 -0.339 2.138 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.069 -0.557 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.367 1.827 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.703 1.577 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.009 1.994 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.060 0.114 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.814 0.170 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.219 -1.376 -0.391 1.00 0.00 H new ATOM 690 N LEU A 52 2.827 1.880 3.286 1.00 0.00 N ATOM 691 CA LEU A 52 2.929 3.289 3.627 1.00 0.00 C ATOM 692 C LEU A 52 3.998 3.945 2.750 1.00 0.00 C ATOM 693 O LEU A 52 4.328 5.115 2.938 1.00 0.00 O ATOM 694 CB LEU A 52 3.175 3.461 5.127 1.00 0.00 C ATOM 695 CG LEU A 52 4.636 3.399 5.579 1.00 0.00 C ATOM 696 CD1 LEU A 52 5.348 2.191 4.968 1.00 0.00 C ATOM 697 CD2 LEU A 52 5.362 4.709 5.268 1.00 0.00 C ATOM 0 H LEU A 52 3.714 1.376 3.286 1.00 0.00 H new ATOM 0 HA LEU A 52 1.988 3.800 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.761 4.421 5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.618 2.688 5.657 1.00 0.00 H new ATOM 0 HG LEU A 52 4.653 3.270 6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.384 2.171 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.846 1.276 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.322 2.265 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.398 4.638 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.336 4.893 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.870 5.530 5.789 1.00 0.00 H new ATOM 708 N GLN A 53 4.508 3.163 1.810 1.00 0.00 N ATOM 709 CA GLN A 53 5.531 3.654 0.902 1.00 0.00 C ATOM 710 C GLN A 53 5.253 3.172 -0.523 1.00 0.00 C ATOM 711 O GLN A 53 4.707 2.087 -0.719 1.00 0.00 O ATOM 712 CB GLN A 53 6.925 3.225 1.365 1.00 0.00 C ATOM 713 CG GLN A 53 6.921 1.771 1.841 1.00 0.00 C ATOM 714 CD GLN A 53 7.994 1.540 2.908 1.00 0.00 C ATOM 715 OE1 GLN A 53 9.103 2.040 2.827 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.601 0.757 3.909 1.00 0.00 N ATOM 0 H GLN A 53 4.232 2.193 1.657 1.00 0.00 H new ATOM 0 HA GLN A 53 5.501 4.744 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.636 3.342 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.260 3.875 2.173 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.941 1.520 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.096 1.107 0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.657 0.371 3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.244 0.543 4.671 1.00 0.00 H new ATOM 723 N VAL A 54 5.644 4.000 -1.481 1.00 0.00 N ATOM 724 CA VAL A 54 5.443 3.671 -2.882 1.00 0.00 C ATOM 725 C VAL A 54 6.697 4.047 -3.674 1.00 0.00 C ATOM 726 O VAL A 54 7.432 4.954 -3.286 1.00 0.00 O ATOM 727 CB VAL A 54 4.179 4.356 -3.404 1.00 0.00 C ATOM 728 CG1 VAL A 54 4.168 4.393 -4.934 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.922 3.672 -2.864 1.00 0.00 C ATOM 0 H VAL A 54 6.099 4.898 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 54 5.290 2.599 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 54 4.182 5.385 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.259 4.885 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.037 4.945 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.200 3.375 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.038 4.179 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.910 2.629 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.921 3.720 -1.775 1.00 0.00 H new ATOM 739 N ASN A 55 6.904 3.329 -4.768 1.00 0.00 N ATOM 740 CA ASN A 55 8.057 3.577 -5.618 1.00 0.00 C ATOM 741 C ASN A 55 9.271 3.898 -4.743 1.00 0.00 C ATOM 742 O ASN A 55 9.480 3.265 -3.709 1.00 0.00 O ATOM 743 CB ASN A 55 7.813 4.769 -6.545 1.00 0.00 C ATOM 744 CG ASN A 55 8.673 4.668 -7.806 1.00 0.00 C ATOM 745 OD1 ASN A 55 8.668 3.674 -8.514 1.00 0.00 O ATOM 746 ND2 ASN A 55 9.409 5.749 -8.046 1.00 0.00 N ATOM 0 H ASN A 55 6.294 2.576 -5.086 1.00 0.00 H new ATOM 0 HA ASN A 55 8.231 2.684 -6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.759 4.810 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.040 5.696 -6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.017 5.781 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.365 6.547 -7.412 1.00 0.00 H new ATOM 752 N ASP A 56 10.038 4.881 -5.190 1.00 0.00 N ATOM 753 CA ASP A 56 11.224 5.294 -4.460 1.00 0.00 C ATOM 754 C ASP A 56 10.823 6.267 -3.350 1.00 0.00 C ATOM 755 O ASP A 56 11.682 6.853 -2.692 1.00 0.00 O ATOM 756 CB ASP A 56 12.215 6.011 -5.380 1.00 0.00 C ATOM 757 CG ASP A 56 11.757 7.382 -5.879 1.00 0.00 C ATOM 758 OD1 ASP A 56 11.048 7.490 -6.891 1.00 0.00 O ATOM 759 OD2 ASP A 56 12.165 8.383 -5.175 1.00 0.00 O ATOM 0 H ASP A 56 9.861 5.403 -6.048 1.00 0.00 H new ATOM 0 HA ASP A 56 11.694 4.401 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.159 6.131 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.413 5.375 -6.242 1.00 0.00 H new ATOM 764 N VAL A 57 9.517 6.408 -3.174 1.00 0.00 N ATOM 765 CA VAL A 57 8.991 7.299 -2.154 1.00 0.00 C ATOM 766 C VAL A 57 8.917 6.554 -0.821 1.00 0.00 C ATOM 767 O VAL A 57 8.921 5.325 -0.792 1.00 0.00 O ATOM 768 CB VAL A 57 7.641 7.864 -2.599 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.751 8.171 -1.393 1.00 0.00 C ATOM 770 CG2 VAL A 57 7.826 9.105 -3.474 1.00 0.00 C ATOM 0 H VAL A 57 8.808 5.920 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 57 9.655 8.152 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 57 7.142 7.103 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.797 8.571 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.577 7.256 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.243 8.905 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.850 9.486 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.356 9.872 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.403 8.842 -4.360 1.00 0.00 H new ATOM 780 N ASN A 58 8.853 7.329 0.252 1.00 0.00 N ATOM 781 CA ASN A 58 8.779 6.758 1.585 1.00 0.00 C ATOM 782 C ASN A 58 8.052 7.734 2.514 1.00 0.00 C ATOM 783 O ASN A 58 8.680 8.590 3.135 1.00 0.00 O ATOM 784 CB ASN A 58 10.177 6.513 2.158 1.00 0.00 C ATOM 785 CG ASN A 58 11.024 7.786 2.101 1.00 0.00 C ATOM 786 OD1 ASN A 58 11.175 8.506 3.075 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.566 8.021 0.910 1.00 0.00 N ATOM 0 H ASN A 58 8.851 8.349 0.224 1.00 0.00 H new ATOM 0 HA ASN A 58 8.246 5.810 1.516 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.096 6.172 3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.670 5.719 1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.149 8.846 0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.398 7.377 0.137 1.00 0.00 H new ATOM 793 N PHE A 59 6.739 7.571 2.578 1.00 0.00 N ATOM 794 CA PHE A 59 5.920 8.426 3.421 1.00 0.00 C ATOM 795 C PHE A 59 5.971 7.970 4.880 1.00 0.00 C ATOM 796 O PHE A 59 4.933 7.760 5.506 1.00 0.00 O ATOM 797 CB PHE A 59 4.482 8.309 2.912 1.00 0.00 C ATOM 798 CG PHE A 59 4.278 8.837 1.491 1.00 0.00 C ATOM 799 CD1 PHE A 59 4.972 9.927 1.066 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.406 8.217 0.653 1.00 0.00 C ATOM 801 CE1 PHE A 59 4.784 10.418 -0.254 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.217 8.708 -0.666 1.00 0.00 C ATOM 803 CZ PHE A 59 3.910 9.797 -1.092 1.00 0.00 C ATOM 0 H PHE A 59 6.222 6.860 2.060 1.00 0.00 H new ATOM 0 HA PHE A 59 6.286 9.452 3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.180 7.262 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.823 8.853 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.666 10.419 1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.857 7.351 0.990 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.334 11.284 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.522 8.216 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.767 10.169 -2.096 1.00 0.00 H new ATOM 812 N GLU A 60 7.189 7.831 5.381 1.00 0.00 N ATOM 813 CA GLU A 60 7.391 7.404 6.755 1.00 0.00 C ATOM 814 C GLU A 60 7.091 8.555 7.717 1.00 0.00 C ATOM 815 O GLU A 60 6.328 8.392 8.668 1.00 0.00 O ATOM 816 CB GLU A 60 8.809 6.870 6.963 1.00 0.00 C ATOM 817 CG GLU A 60 8.946 5.449 6.413 1.00 0.00 C ATOM 818 CD GLU A 60 10.120 5.349 5.436 1.00 0.00 C ATOM 819 OE1 GLU A 60 11.073 6.136 5.530 1.00 0.00 O ATOM 820 OE2 GLU A 60 10.019 4.412 4.556 1.00 0.00 O ATOM 0 H GLU A 60 8.048 8.007 4.859 1.00 0.00 H new ATOM 0 HA GLU A 60 6.699 6.589 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.525 7.526 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.052 6.878 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.093 4.749 7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.024 5.160 5.909 1.00 0.00 H new ATOM 826 N ASN A 61 7.708 9.693 7.438 1.00 0.00 N ATOM 827 CA ASN A 61 7.518 10.871 8.267 1.00 0.00 C ATOM 828 C ASN A 61 6.071 11.352 8.138 1.00 0.00 C ATOM 829 O ASN A 61 5.632 12.220 8.891 1.00 0.00 O ATOM 830 CB ASN A 61 8.437 12.011 7.823 1.00 0.00 C ATOM 831 CG ASN A 61 9.458 12.348 8.912 1.00 0.00 C ATOM 832 OD1 ASN A 61 10.504 11.732 9.030 1.00 0.00 O ATOM 833 ND2 ASN A 61 9.096 13.358 9.699 1.00 0.00 N ATOM 0 H ASN A 61 8.341 9.825 6.649 1.00 0.00 H new ATOM 0 HA ASN A 61 7.751 10.600 9.297 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.956 11.729 6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.841 12.894 7.592 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.709 13.659 10.456 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.205 13.831 9.545 1.00 0.00 H new ATOM 839 N MET A 62 5.370 10.766 7.178 1.00 0.00 N ATOM 840 CA MET A 62 3.982 11.124 6.941 1.00 0.00 C ATOM 841 C MET A 62 3.064 10.483 7.983 1.00 0.00 C ATOM 842 O MET A 62 2.722 11.111 8.984 1.00 0.00 O ATOM 843 CB MET A 62 3.567 10.662 5.542 1.00 0.00 C ATOM 844 CG MET A 62 2.067 10.865 5.320 1.00 0.00 C ATOM 845 SD MET A 62 1.795 11.851 3.858 1.00 0.00 S ATOM 846 CE MET A 62 2.087 10.622 2.596 1.00 0.00 C ATOM 0 H MET A 62 5.737 10.046 6.556 1.00 0.00 H new ATOM 0 HA MET A 62 3.888 12.207 7.019 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.128 11.218 4.790 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.818 9.609 5.413 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.573 9.899 5.215 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.626 11.356 6.187 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.035 10.828 2.100 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.124 9.633 3.053 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.280 10.654 1.864 1.00 0.00 H new ATOM 854 N SER A 63 2.692 9.241 7.714 1.00 0.00 N ATOM 855 CA SER A 63 1.821 8.507 8.617 1.00 0.00 C ATOM 856 C SER A 63 0.867 9.473 9.323 1.00 0.00 C ATOM 857 O SER A 63 0.606 9.332 10.516 1.00 0.00 O ATOM 858 CB SER A 63 2.633 7.717 9.644 1.00 0.00 C ATOM 859 OG SER A 63 1.858 7.383 10.793 1.00 0.00 O ATOM 0 H SER A 63 2.978 8.723 6.883 1.00 0.00 H new ATOM 0 HA SER A 63 1.240 7.796 8.030 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.011 6.804 9.183 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.500 8.303 9.949 1.00 0.00 H new ATOM 0 HG SER A 63 1.577 8.204 11.248 1.00 0.00 H new ATOM 864 N ASN A 64 0.372 10.433 8.554 1.00 0.00 N ATOM 865 CA ASN A 64 -0.547 11.422 9.091 1.00 0.00 C ATOM 866 C ASN A 64 -1.778 10.712 9.660 1.00 0.00 C ATOM 867 O ASN A 64 -2.008 10.733 10.868 1.00 0.00 O ATOM 868 CB ASN A 64 -1.019 12.385 8.000 1.00 0.00 C ATOM 869 CG ASN A 64 -1.573 13.674 8.610 1.00 0.00 C ATOM 870 OD1 ASN A 64 -0.879 14.424 9.276 1.00 0.00 O ATOM 871 ND2 ASN A 64 -2.858 13.890 8.344 1.00 0.00 N ATOM 0 H ASN A 64 0.590 10.546 7.564 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.024 11.983 9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.189 12.621 7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.788 11.905 7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.320 14.725 8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.381 13.221 7.779 1.00 0.00 H new ATOM 877 N ASP A 65 -2.536 10.099 8.762 1.00 0.00 N ATOM 878 CA ASP A 65 -3.737 9.385 9.159 1.00 0.00 C ATOM 879 C ASP A 65 -4.526 8.989 7.910 1.00 0.00 C ATOM 880 O ASP A 65 -5.180 7.947 7.889 1.00 0.00 O ATOM 881 CB ASP A 65 -4.638 10.264 10.029 1.00 0.00 C ATOM 882 CG ASP A 65 -5.170 9.589 11.296 1.00 0.00 C ATOM 883 OD1 ASP A 65 -4.984 10.093 12.413 1.00 0.00 O ATOM 884 OD2 ASP A 65 -5.808 8.485 11.099 1.00 0.00 O ATOM 0 H ASP A 65 -2.341 10.082 7.761 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.434 8.505 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.082 11.156 10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.485 10.596 9.429 1.00 0.00 H new ATOM 889 N ASP A 66 -4.439 9.841 6.900 1.00 0.00 N ATOM 890 CA ASP A 66 -5.137 9.594 5.649 1.00 0.00 C ATOM 891 C ASP A 66 -4.231 9.981 4.478 1.00 0.00 C ATOM 892 O ASP A 66 -4.664 10.666 3.554 1.00 0.00 O ATOM 893 CB ASP A 66 -6.414 10.431 5.556 1.00 0.00 C ATOM 894 CG ASP A 66 -6.314 11.832 6.163 1.00 0.00 C ATOM 895 OD1 ASP A 66 -6.410 12.006 7.387 1.00 0.00 O ATOM 896 OD2 ASP A 66 -6.128 12.783 5.312 1.00 0.00 O ATOM 0 H ASP A 66 -3.896 10.704 6.922 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.396 8.536 5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.693 10.525 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.221 9.892 6.053 1.00 0.00 H new ATOM 901 N ALA A 67 -2.989 9.525 4.556 1.00 0.00 N ATOM 902 CA ALA A 67 -2.018 9.814 3.516 1.00 0.00 C ATOM 903 C ALA A 67 -2.663 9.590 2.146 1.00 0.00 C ATOM 904 O ALA A 67 -2.231 10.169 1.151 1.00 0.00 O ATOM 905 CB ALA A 67 -0.774 8.949 3.722 1.00 0.00 C ATOM 0 H ALA A 67 -2.633 8.957 5.325 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.702 10.856 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.046 9.167 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.337 9.167 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.051 7.896 3.676 1.00 0.00 H new ATOM 911 N VAL A 68 -3.686 8.748 2.140 1.00 0.00 N ATOM 912 CA VAL A 68 -4.394 8.440 0.909 1.00 0.00 C ATOM 913 C VAL A 68 -4.611 9.729 0.115 1.00 0.00 C ATOM 914 O VAL A 68 -4.418 9.753 -1.100 1.00 0.00 O ATOM 915 CB VAL A 68 -5.699 7.706 1.226 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.802 8.098 0.241 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.487 6.191 1.239 1.00 0.00 C ATOM 0 H VAL A 68 -4.041 8.270 2.968 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.803 7.770 0.285 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.019 8.007 2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.718 7.562 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.981 9.171 0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.494 7.840 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.430 5.694 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.132 5.865 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.748 5.933 1.998 1.00 0.00 H new ATOM 927 N ARG A 69 -5.010 10.769 0.832 1.00 0.00 N ATOM 928 CA ARG A 69 -5.255 12.058 0.209 1.00 0.00 C ATOM 929 C ARG A 69 -4.168 12.363 -0.825 1.00 0.00 C ATOM 930 O ARG A 69 -4.406 13.098 -1.782 1.00 0.00 O ATOM 931 CB ARG A 69 -5.286 13.177 1.251 1.00 0.00 C ATOM 932 CG ARG A 69 -5.490 14.540 0.586 1.00 0.00 C ATOM 933 CD ARG A 69 -6.781 15.200 1.074 1.00 0.00 C ATOM 934 NE ARG A 69 -7.830 15.091 0.035 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.988 15.783 0.052 1.00 0.00 C ATOM 936 NH1 ARG A 69 -9.258 16.641 1.058 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.854 15.607 -0.929 1.00 0.00 N ATOM 0 H ARG A 69 -5.170 10.745 1.839 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.226 12.009 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.089 12.992 1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -4.353 13.180 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.641 15.187 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.526 14.419 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.118 14.722 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.597 16.249 1.308 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.667 14.452 -0.743 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.584 16.770 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.136 17.160 1.063 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.643 14.955 -1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.734 16.123 -0.931 1.00 0.00 H new ATOM 947 N VAL A 70 -2.999 11.782 -0.597 1.00 0.00 N ATOM 948 CA VAL A 70 -1.876 11.983 -1.496 1.00 0.00 C ATOM 949 C VAL A 70 -1.658 10.715 -2.324 1.00 0.00 C ATOM 950 O VAL A 70 -1.532 10.781 -3.545 1.00 0.00 O ATOM 951 CB VAL A 70 -0.637 12.398 -0.700 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.482 11.366 -0.851 1.00 0.00 C ATOM 953 CG2 VAL A 70 -0.158 13.790 -1.116 1.00 0.00 C ATOM 0 H VAL A 70 -2.806 11.172 0.197 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.085 12.794 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.915 12.440 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.351 11.685 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.138 10.400 -0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.756 11.277 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.724 14.060 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.094 13.786 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.950 14.517 -0.933 1.00 0.00 H new ATOM 963 N LEU A 71 -1.621 9.590 -1.625 1.00 0.00 N ATOM 964 CA LEU A 71 -1.420 8.308 -2.280 1.00 0.00 C ATOM 965 C LEU A 71 -2.393 8.183 -3.455 1.00 0.00 C ATOM 966 O LEU A 71 -2.011 7.739 -4.536 1.00 0.00 O ATOM 967 CB LEU A 71 -1.528 7.166 -1.268 1.00 0.00 C ATOM 968 CG LEU A 71 -0.577 5.987 -1.482 1.00 0.00 C ATOM 969 CD1 LEU A 71 0.596 6.044 -0.501 1.00 0.00 C ATOM 970 CD2 LEU A 71 -1.327 4.656 -1.403 1.00 0.00 C ATOM 0 H LEU A 71 -1.727 9.539 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.413 8.244 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.353 7.572 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.551 6.789 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.160 6.062 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.257 5.195 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.150 6.971 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.218 6.007 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.628 3.835 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.790 4.557 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.098 4.627 -2.173 1.00 0.00 H new ATOM 981 N ARG A 72 -3.630 8.583 -3.202 1.00 0.00 N ATOM 982 CA ARG A 72 -4.660 8.521 -4.226 1.00 0.00 C ATOM 983 C ARG A 72 -4.292 9.424 -5.404 1.00 0.00 C ATOM 984 O ARG A 72 -4.819 9.261 -6.503 1.00 0.00 O ATOM 985 CB ARG A 72 -6.018 8.951 -3.667 1.00 0.00 C ATOM 986 CG ARG A 72 -7.151 8.560 -4.618 1.00 0.00 C ATOM 987 CD ARG A 72 -8.142 9.711 -4.794 1.00 0.00 C ATOM 988 NE ARG A 72 -9.168 9.348 -5.796 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.211 8.527 -5.549 1.00 0.00 C ATOM 990 NH1 ARG A 72 -10.374 7.976 -4.328 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.067 8.271 -6.521 1.00 0.00 N ATOM 0 H ARG A 72 -3.943 8.951 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.730 7.487 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.178 8.486 -2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.026 10.030 -3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.737 8.281 -5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.671 7.684 -4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.618 9.940 -3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.614 10.610 -5.111 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.082 9.743 -6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.707 8.179 -3.584 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.165 7.357 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.935 8.691 -7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.861 7.653 -6.352 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.390 10.357 -5.134 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.945 11.286 -6.160 1.00 0.00 C ATOM 1003 C GLU A 73 -1.930 10.610 -7.083 1.00 0.00 C ATOM 1004 O GLU A 73 -1.714 11.060 -8.209 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.358 12.553 -5.533 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.831 12.555 -5.629 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.251 13.867 -5.095 1.00 0.00 C ATOM 1008 OE1 GLU A 73 -0.932 14.903 -5.122 1.00 0.00 O ATOM 1009 OE2 GLU A 73 0.952 13.784 -4.638 1.00 0.00 O ATOM 0 H GLU A 73 -2.956 10.490 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.808 11.581 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.759 13.432 -6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.660 12.620 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.426 11.717 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.528 12.415 -6.667 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.334 9.542 -6.576 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.346 8.801 -7.342 1.00 0.00 C ATOM 1017 C ILE A 74 -1.015 8.196 -8.577 1.00 0.00 C ATOM 1018 O ILE A 74 -1.101 8.844 -9.621 1.00 0.00 O ATOM 1019 CB ILE A 74 0.354 7.768 -6.456 1.00 0.00 C ATOM 1020 CG1 ILE A 74 0.943 8.428 -5.206 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.411 6.994 -7.246 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.396 8.845 -5.438 1.00 0.00 C ATOM 0 H ILE A 74 -1.516 9.171 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 74 0.439 9.468 -7.697 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.390 7.046 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.349 9.302 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.890 7.736 -4.366 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.893 6.267 -6.593 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.936 6.475 -8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.158 7.688 -7.630 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.789 9.311 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.992 7.966 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.443 9.556 -6.263 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.472 6.963 -8.421 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.131 6.264 -9.511 1.00 0.00 C ATOM 1035 C VAL A 75 -3.035 7.241 -10.265 1.00 0.00 C ATOM 1036 O VAL A 75 -3.137 7.181 -11.490 1.00 0.00 O ATOM 1037 CB VAL A 75 -2.885 5.046 -8.973 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.026 3.783 -9.070 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.352 5.282 -7.535 1.00 0.00 C ATOM 0 H VAL A 75 -1.399 6.429 -7.555 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.396 5.886 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.769 4.898 -9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.585 2.932 -8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.765 3.600 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.116 3.916 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.885 4.401 -7.176 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.488 5.467 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.017 6.145 -7.505 1.00 0.00 H new ATOM 1049 N SER A 76 -3.670 8.120 -9.502 1.00 0.00 N ATOM 1050 CA SER A 76 -4.561 9.108 -10.083 1.00 0.00 C ATOM 1051 C SER A 76 -3.833 9.893 -11.175 1.00 0.00 C ATOM 1052 O SER A 76 -4.222 9.848 -12.342 1.00 0.00 O ATOM 1053 CB SER A 76 -5.099 10.061 -9.013 1.00 0.00 C ATOM 1054 OG SER A 76 -5.665 11.239 -9.583 1.00 0.00 O ATOM 0 H SER A 76 -3.584 8.167 -8.487 1.00 0.00 H new ATOM 0 HA SER A 76 -5.409 8.585 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.854 9.548 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.292 10.338 -8.335 1.00 0.00 H new ATOM 0 HG SER A 76 -5.999 11.821 -8.868 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.789 10.595 -10.759 1.00 0.00 N ATOM 1060 CA GLN A 77 -2.002 11.388 -11.689 1.00 0.00 C ATOM 1061 C GLN A 77 -0.518 11.041 -11.558 1.00 0.00 C ATOM 1062 O GLN A 77 -0.121 9.899 -11.786 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.237 12.884 -11.467 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.702 13.251 -11.713 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.816 14.466 -12.635 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.382 15.561 -12.318 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -4.423 14.212 -13.791 1.00 0.00 N ATOM 0 H GLN A 77 -2.470 10.631 -9.791 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.323 11.149 -12.703 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.957 13.153 -10.448 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.597 13.460 -12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.223 12.403 -12.157 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.192 13.464 -10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.763 13.272 -13.993 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.549 14.958 -14.476 1.00 0.00 H new ATOM 1074 N THR A 78 0.263 12.048 -11.193 1.00 0.00 N ATOM 1075 CA THR A 78 1.694 11.863 -11.030 1.00 0.00 C ATOM 1076 C THR A 78 1.977 10.678 -10.105 1.00 0.00 C ATOM 1077 O THR A 78 1.060 9.958 -9.714 1.00 0.00 O ATOM 1078 CB THR A 78 2.287 13.181 -10.528 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.537 13.473 -9.351 1.00 0.00 O ATOM 1080 CG2 THR A 78 1.983 14.353 -11.463 1.00 0.00 C ATOM 0 H THR A 78 -0.069 12.994 -11.006 1.00 0.00 H new ATOM 0 HA THR A 78 2.171 11.615 -11.978 1.00 0.00 H new ATOM 0 HB THR A 78 3.366 13.075 -10.418 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.857 14.312 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.426 15.264 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.402 14.150 -12.449 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.904 14.481 -11.547 1.00 0.00 H new ATOM 1088 N GLY A 79 3.252 10.513 -9.780 1.00 0.00 N ATOM 1089 CA GLY A 79 3.667 9.428 -8.908 1.00 0.00 C ATOM 1090 C GLY A 79 3.576 8.080 -9.628 1.00 0.00 C ATOM 1091 O GLY A 79 2.488 7.643 -9.997 1.00 0.00 O ATOM 0 H GLY A 79 4.010 11.113 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.690 9.597 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.039 9.412 -8.017 1.00 0.00 H new ATOM 1095 N PRO A 80 4.764 7.444 -9.809 1.00 0.00 N ATOM 1096 CA PRO A 80 4.829 6.157 -10.478 1.00 0.00 C ATOM 1097 C PRO A 80 4.330 5.037 -9.561 1.00 0.00 C ATOM 1098 O PRO A 80 4.464 5.123 -8.342 1.00 0.00 O ATOM 1099 CB PRO A 80 6.286 5.993 -10.878 1.00 0.00 C ATOM 1100 CG PRO A 80 7.067 6.971 -10.015 1.00 0.00 C ATOM 1101 CD PRO A 80 6.073 7.934 -9.386 1.00 0.00 C ATOM 0 HA PRO A 80 4.182 6.105 -11.354 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.624 4.970 -10.713 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.427 6.208 -11.937 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.624 6.439 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.796 7.514 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.161 7.941 -8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.242 8.956 -9.726 1.00 0.00 H new ATOM 1106 N ILE A 81 3.767 4.012 -10.184 1.00 0.00 N ATOM 1107 CA ILE A 81 3.249 2.877 -9.440 1.00 0.00 C ATOM 1108 C ILE A 81 4.413 1.994 -8.988 1.00 0.00 C ATOM 1109 O ILE A 81 5.403 1.850 -9.705 1.00 0.00 O ATOM 1110 CB ILE A 81 2.195 2.133 -10.262 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.792 2.668 -9.968 1.00 0.00 C ATOM 1112 CG2 ILE A 81 2.292 0.622 -10.038 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.183 2.290 -11.085 1.00 0.00 C ATOM 0 H ILE A 81 3.658 3.944 -11.196 1.00 0.00 H new ATOM 0 HA ILE A 81 2.737 3.214 -8.539 1.00 0.00 H new ATOM 0 HB ILE A 81 2.393 2.315 -11.318 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.437 2.266 -9.019 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.827 3.752 -9.862 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.532 0.116 -10.634 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.280 0.272 -10.338 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.133 0.400 -8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.173 2.682 -10.852 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.162 2.714 -12.028 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.234 1.205 -11.172 1.00 0.00 H new ATOM 1124 N SER A 82 4.259 1.425 -7.802 1.00 0.00 N ATOM 1125 CA SER A 82 5.285 0.559 -7.246 1.00 0.00 C ATOM 1126 C SER A 82 5.139 0.483 -5.725 1.00 0.00 C ATOM 1127 O SER A 82 6.119 0.625 -4.996 1.00 0.00 O ATOM 1128 CB SER A 82 6.684 1.054 -7.621 1.00 0.00 C ATOM 1129 OG SER A 82 7.179 0.413 -8.794 1.00 0.00 O ATOM 0 H SER A 82 3.438 1.547 -7.209 1.00 0.00 H new ATOM 0 HA SER A 82 5.156 -0.438 -7.666 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.657 2.132 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.368 0.872 -6.792 1.00 0.00 H new ATOM 0 HG SER A 82 6.617 0.654 -9.560 1.00 0.00 H new ATOM 1134 N LEU A 83 3.907 0.261 -5.291 1.00 0.00 N ATOM 1135 CA LEU A 83 3.620 0.164 -3.871 1.00 0.00 C ATOM 1136 C LEU A 83 4.810 -0.478 -3.156 1.00 0.00 C ATOM 1137 O LEU A 83 5.437 -1.394 -3.687 1.00 0.00 O ATOM 1138 CB LEU A 83 2.296 -0.568 -3.640 1.00 0.00 C ATOM 1139 CG LEU A 83 1.773 -1.394 -4.816 1.00 0.00 C ATOM 1140 CD1 LEU A 83 2.891 -2.230 -5.440 1.00 0.00 C ATOM 1141 CD2 LEU A 83 0.580 -2.254 -4.395 1.00 0.00 C ATOM 0 H LEU A 83 3.096 0.146 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 83 3.488 1.157 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.414 -1.229 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.538 0.169 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 83 1.419 -0.707 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.492 -2.807 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.680 -1.571 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.299 -2.909 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.228 -2.831 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.884 -2.934 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.223 -1.611 -4.036 1.00 0.00 H new ATOM 1152 N THR A 84 5.087 0.028 -1.963 1.00 0.00 N ATOM 1153 CA THR A 84 6.192 -0.485 -1.171 1.00 0.00 C ATOM 1154 C THR A 84 5.760 -0.680 0.284 1.00 0.00 C ATOM 1155 O THR A 84 5.048 0.155 0.841 1.00 0.00 O ATOM 1156 CB THR A 84 7.374 0.472 -1.331 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.670 0.428 -2.725 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.646 -0.051 -0.662 1.00 0.00 C ATOM 0 H THR A 84 4.565 0.788 -1.526 1.00 0.00 H new ATOM 0 HA THR A 84 6.504 -1.470 -1.519 1.00 0.00 H new ATOM 0 HB THR A 84 7.115 1.442 -0.908 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.425 1.022 -2.918 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.454 0.666 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.467 -0.187 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.925 -1.006 -1.107 1.00 0.00 H new ATOM 1166 N VAL A 85 6.209 -1.786 0.859 1.00 0.00 N ATOM 1167 CA VAL A 85 5.878 -2.099 2.238 1.00 0.00 C ATOM 1168 C VAL A 85 7.127 -2.617 2.953 1.00 0.00 C ATOM 1169 O VAL A 85 8.042 -3.135 2.314 1.00 0.00 O ATOM 1170 CB VAL A 85 4.709 -3.087 2.284 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.487 -2.523 1.557 1.00 0.00 C ATOM 1172 CG2 VAL A 85 5.115 -4.443 1.705 1.00 0.00 C ATOM 0 H VAL A 85 6.799 -2.476 0.395 1.00 0.00 H new ATOM 0 HA VAL A 85 5.550 -1.203 2.765 1.00 0.00 H new ATOM 0 HB VAL A 85 4.437 -3.237 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.671 -3.244 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.178 -1.593 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.741 -2.330 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.267 -5.126 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.426 -4.317 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.942 -4.853 2.284 1.00 0.00 H new ATOM 1182 N ALA A 86 7.124 -2.462 4.269 1.00 0.00 N ATOM 1183 CA ALA A 86 8.247 -2.908 5.077 1.00 0.00 C ATOM 1184 C ALA A 86 7.987 -4.338 5.557 1.00 0.00 C ATOM 1185 O ALA A 86 8.316 -4.685 6.691 1.00 0.00 O ATOM 1186 CB ALA A 86 8.460 -1.934 6.236 1.00 0.00 C ATOM 0 H ALA A 86 6.362 -2.034 4.796 1.00 0.00 H new ATOM 0 HA ALA A 86 9.164 -2.919 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.302 -2.268 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.669 -0.939 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.561 -1.899 6.852 1.00 0.00 H new