USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 81 MET CE :methyl -154:sc= -0.197 (180deg=-0.14) USER MOD Set 1.2: I 121 MET CE :methyl 159:sc= -1.95 (180deg=-3.93!) USER MOD Set 2.1: C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: C 86 LYS NZ :NH3+ 159:sc= -0.0434 (180deg=-0.412) USER MOD Set 3.1: C 35 CYS SG : rot -160:sc= -1.44! USER MOD Set 3.2: C 37 SER OG : rot 12:sc= 0.743 USER MOD Set 3.3: C 71 THR OG1 : rot 163:sc= -11.1! USER MOD Single : C 1 MET CE :methyl 131:sc= -0.235 (180deg=-1.46!) USER MOD Single : C 1 MET N :NH3+ -137:sc= 0.107 (180deg=-0.313) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -3.39! C(o=-3.4!,f=-8.5!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0 USER MOD Single : C 16 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.44) USER MOD Single : C 17 LYS NZ :NH3+ 154:sc= -0.165 (180deg=-0.975) USER MOD Single : C 18 ASN : amide:sc=-0.00514 X(o=-0.0051,f=-0.0051) USER MOD Single : C 21 LYS NZ :NH3+ -164:sc= -0.0362 (180deg=-0.507) USER MOD Single : C 38 THR OG1 : rot -141:sc= -19! USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 172:sc= -0.602 (180deg=-0.797) USER MOD Single : C 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 50 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : C 51 ASN : amide:sc= -3.18! C(o=-3.2!,f=-4.6!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.123 USER MOD Single : C 58 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot -90:sc= 0.433 USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -85:sc= -2.36! USER MOD Single : C 89 SER OG : rot 180:sc= 0.0591 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 57.190 -13.869 22.106 1.00 0.00 N ATOM 2 CA MET C 1 56.660 -13.039 20.988 1.00 0.00 C ATOM 3 C MET C 1 56.628 -13.872 19.711 1.00 0.00 C ATOM 4 O MET C 1 56.908 -15.070 19.733 1.00 0.00 O ATOM 5 CB MET C 1 57.561 -11.817 20.792 1.00 0.00 C ATOM 6 CG MET C 1 57.503 -10.935 22.040 1.00 0.00 C ATOM 7 SD MET C 1 58.417 -9.402 21.738 1.00 0.00 S ATOM 8 CE MET C 1 57.283 -8.698 20.517 1.00 0.00 C ATOM 0 H1 MET C 1 56.619 -13.707 22.960 1.00 0.00 H new ATOM 0 H2 MET C 1 57.144 -14.874 21.844 1.00 0.00 H new ATOM 0 H3 MET C 1 58.178 -13.606 22.296 1.00 0.00 H new ATOM 0 HA MET C 1 55.649 -12.705 21.223 1.00 0.00 H new ATOM 0 HB2 MET C 1 58.587 -12.135 20.605 1.00 0.00 H new ATOM 0 HB3 MET C 1 57.239 -11.251 19.918 1.00 0.00 H new ATOM 0 HG2 MET C 1 56.467 -10.710 22.291 1.00 0.00 H new ATOM 0 HG3 MET C 1 57.930 -11.464 22.892 1.00 0.00 H new ATOM 0 HE1 MET C 1 57.055 -7.666 20.784 1.00 0.00 H new ATOM 0 HE2 MET C 1 57.748 -8.724 19.531 1.00 0.00 H new ATOM 0 HE3 MET C 1 56.361 -9.280 20.499 1.00 0.00 H new ATOM 20 N ASP C 2 56.286 -13.229 18.599 1.00 0.00 N ATOM 21 CA ASP C 2 56.220 -13.921 17.317 1.00 0.00 C ATOM 22 C ASP C 2 56.622 -12.986 16.182 1.00 0.00 C ATOM 23 O ASP C 2 57.202 -11.925 16.414 1.00 0.00 O ATOM 24 CB ASP C 2 54.802 -14.441 17.076 1.00 0.00 C ATOM 25 CG ASP C 2 54.803 -15.446 15.929 1.00 0.00 C ATOM 26 OD1 ASP C 2 55.880 -15.798 15.477 1.00 0.00 O ATOM 27 OD2 ASP C 2 53.727 -15.848 15.519 1.00 0.00 O ATOM 0 H ASP C 2 56.052 -12.237 18.559 1.00 0.00 H new ATOM 0 HA ASP C 2 56.914 -14.761 17.343 1.00 0.00 H new ATOM 0 HB2 ASP C 2 54.419 -14.911 17.982 1.00 0.00 H new ATOM 0 HB3 ASP C 2 54.136 -13.610 16.842 1.00 0.00 H new ATOM 32 N ASP C 3 56.309 -13.385 14.954 1.00 0.00 N ATOM 33 CA ASP C 3 56.642 -12.574 13.789 1.00 0.00 C ATOM 34 C ASP C 3 55.381 -12.205 13.014 1.00 0.00 C ATOM 35 O ASP C 3 54.956 -12.934 12.118 1.00 0.00 O ATOM 36 CB ASP C 3 57.599 -13.341 12.874 1.00 0.00 C ATOM 37 CG ASP C 3 58.609 -14.118 13.711 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.126 -13.550 14.659 1.00 0.00 O ATOM 39 OD2 ASP C 3 58.851 -15.270 13.392 1.00 0.00 O ATOM 0 H ASP C 3 55.828 -14.259 14.740 1.00 0.00 H new ATOM 0 HA ASP C 3 57.124 -11.659 14.133 1.00 0.00 H new ATOM 0 HB2 ASP C 3 57.037 -14.026 12.238 1.00 0.00 H new ATOM 0 HB3 ASP C 3 58.119 -12.647 12.214 1.00 0.00 H new ATOM 44 N ILE C 4 54.788 -11.069 13.366 1.00 0.00 N ATOM 45 CA ILE C 4 53.575 -10.613 12.696 1.00 0.00 C ATOM 46 C ILE C 4 53.914 -9.964 11.358 1.00 0.00 C ATOM 47 O ILE C 4 53.035 -9.738 10.526 1.00 0.00 O ATOM 48 CB ILE C 4 52.837 -9.607 13.581 1.00 0.00 C ATOM 49 CG1 ILE C 4 51.425 -9.388 13.033 1.00 0.00 C ATOM 50 CG2 ILE C 4 53.593 -8.277 13.584 1.00 0.00 C ATOM 51 CD1 ILE C 4 50.648 -8.468 13.976 1.00 0.00 C ATOM 0 H ILE C 4 55.124 -10.451 14.105 1.00 0.00 H new ATOM 0 HA ILE C 4 52.935 -11.477 12.516 1.00 0.00 H new ATOM 0 HB ILE C 4 52.778 -9.993 14.599 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.474 -8.948 12.037 1.00 0.00 H new ATOM 0 HG13 ILE C 4 50.910 -10.343 12.934 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.067 -7.561 14.215 1.00 0.00 H new ATOM 0 HG22 ILE C 4 54.600 -8.432 13.973 1.00 0.00 H new ATOM 0 HG23 ILE C 4 53.652 -7.890 12.567 1.00 0.00 H new ATOM 0 HD11 ILE C 4 49.642 -8.312 13.585 1.00 0.00 H new ATOM 0 HD12 ILE C 4 50.587 -8.926 14.963 1.00 0.00 H new ATOM 0 HD13 ILE C 4 51.160 -7.509 14.052 1.00 0.00 H new ATOM 63 N TYR C 5 55.194 -9.666 11.157 1.00 0.00 N ATOM 64 CA TYR C 5 55.637 -9.043 9.916 1.00 0.00 C ATOM 65 C TYR C 5 56.214 -10.089 8.967 1.00 0.00 C ATOM 66 O TYR C 5 55.845 -10.148 7.794 1.00 0.00 O ATOM 67 CB TYR C 5 56.698 -7.982 10.214 1.00 0.00 C ATOM 68 CG TYR C 5 56.355 -7.276 11.504 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.380 -6.271 11.515 1.00 0.00 C ATOM 70 CD2 TYR C 5 57.013 -7.627 12.689 1.00 0.00 C ATOM 71 CE1 TYR C 5 55.063 -5.617 12.712 1.00 0.00 C ATOM 72 CE2 TYR C 5 56.695 -6.973 13.886 1.00 0.00 C ATOM 73 CZ TYR C 5 55.720 -5.968 13.897 1.00 0.00 C ATOM 74 OH TYR C 5 55.407 -5.323 15.076 1.00 0.00 O ATOM 0 H TYR C 5 55.937 -9.844 11.832 1.00 0.00 H new ATOM 0 HA TYR C 5 54.776 -8.573 9.440 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.681 -8.447 10.292 1.00 0.00 H new ATOM 0 HB3 TYR C 5 56.749 -7.263 9.396 1.00 0.00 H new ATOM 0 HD1 TYR C 5 54.873 -6.000 10.601 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.765 -8.402 12.680 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.311 -4.842 12.721 1.00 0.00 H new ATOM 0 HE2 TYR C 5 57.202 -7.244 14.800 1.00 0.00 H new ATOM 0 HH TYR C 5 55.954 -5.687 15.803 1.00 0.00 H new ATOM 84 N LYS C 6 57.121 -10.913 9.483 1.00 0.00 N ATOM 85 CA LYS C 6 57.742 -11.953 8.673 1.00 0.00 C ATOM 86 C LYS C 6 56.698 -12.960 8.201 1.00 0.00 C ATOM 87 O LYS C 6 56.860 -13.596 7.160 1.00 0.00 O ATOM 88 CB LYS C 6 58.820 -12.675 9.485 1.00 0.00 C ATOM 89 CG LYS C 6 59.767 -13.412 8.536 1.00 0.00 C ATOM 90 CD LYS C 6 60.786 -14.211 9.351 1.00 0.00 C ATOM 91 CE LYS C 6 61.834 -14.810 8.412 1.00 0.00 C ATOM 92 NZ LYS C 6 62.901 -13.803 8.151 1.00 0.00 N ATOM 0 H LYS C 6 57.440 -10.881 10.451 1.00 0.00 H new ATOM 0 HA LYS C 6 58.198 -11.484 7.801 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.378 -11.958 10.088 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.358 -13.381 10.176 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.201 -14.080 7.886 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.280 -12.699 7.891 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.267 -13.565 10.085 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.283 -15.004 9.905 1.00 0.00 H new ATOM 0 HE2 LYS C 6 62.266 -15.706 8.857 1.00 0.00 H new ATOM 0 HE3 LYS C 6 61.367 -15.112 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 63.614 -14.210 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.482 -12.960 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 63.353 -13.535 9.049 1.00 0.00 H new ATOM 106 N ALA C 7 55.626 -13.100 8.975 1.00 0.00 N ATOM 107 CA ALA C 7 54.561 -14.033 8.627 1.00 0.00 C ATOM 108 C ALA C 7 53.705 -13.471 7.496 1.00 0.00 C ATOM 109 O ALA C 7 53.369 -14.180 6.548 1.00 0.00 O ATOM 110 CB ALA C 7 53.682 -14.303 9.849 1.00 0.00 C ATOM 0 H ALA C 7 55.473 -12.583 9.841 1.00 0.00 H new ATOM 0 HA ALA C 7 55.016 -14.966 8.294 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.889 -15.001 9.580 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.289 -14.733 10.646 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.241 -13.368 10.193 1.00 0.00 H new ATOM 116 N ALA C 8 53.356 -12.193 7.605 1.00 0.00 N ATOM 117 CA ALA C 8 52.538 -11.546 6.585 1.00 0.00 C ATOM 118 C ALA C 8 53.226 -11.613 5.225 1.00 0.00 C ATOM 119 O ALA C 8 52.619 -12.012 4.231 1.00 0.00 O ATOM 120 CB ALA C 8 52.292 -10.084 6.963 1.00 0.00 C ATOM 0 H ALA C 8 53.624 -11.589 8.382 1.00 0.00 H new ATOM 0 HA ALA C 8 51.585 -12.071 6.524 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.681 -9.608 6.196 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.774 -10.038 7.921 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.246 -9.563 7.041 1.00 0.00 H new ATOM 126 N VAL C 9 54.495 -11.220 5.189 1.00 0.00 N ATOM 127 CA VAL C 9 55.255 -11.240 3.945 1.00 0.00 C ATOM 128 C VAL C 9 55.049 -12.562 3.212 1.00 0.00 C ATOM 129 O VAL C 9 54.634 -12.582 2.054 1.00 0.00 O ATOM 130 CB VAL C 9 56.743 -11.043 4.239 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.941 -9.751 5.034 1.00 0.00 C ATOM 132 CG2 VAL C 9 57.260 -12.228 5.057 1.00 0.00 C ATOM 0 H VAL C 9 55.015 -10.886 6.000 1.00 0.00 H new ATOM 0 HA VAL C 9 54.900 -10.428 3.311 1.00 0.00 H new ATOM 0 HB VAL C 9 57.293 -10.979 3.300 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.002 -9.611 5.243 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.571 -8.906 4.453 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.391 -9.814 5.973 1.00 0.00 H new ATOM 0 HG21 VAL C 9 58.320 -12.090 5.268 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.709 -12.291 5.995 1.00 0.00 H new ATOM 0 HG23 VAL C 9 57.120 -13.149 4.492 1.00 0.00 H new ATOM 142 N GLU C 10 55.343 -13.663 3.896 1.00 0.00 N ATOM 143 CA GLU C 10 55.186 -14.985 3.300 1.00 0.00 C ATOM 144 C GLU C 10 53.734 -15.222 2.898 1.00 0.00 C ATOM 145 O GLU C 10 53.454 -15.959 1.953 1.00 0.00 O ATOM 146 CB GLU C 10 55.626 -16.062 4.293 1.00 0.00 C ATOM 147 CG GLU C 10 55.682 -17.417 3.586 1.00 0.00 C ATOM 148 CD GLU C 10 56.831 -17.435 2.584 1.00 0.00 C ATOM 149 OE1 GLU C 10 57.763 -16.669 2.767 1.00 0.00 O ATOM 150 OE2 GLU C 10 56.763 -18.216 1.649 1.00 0.00 O ATOM 0 H GLU C 10 55.689 -13.667 4.856 1.00 0.00 H new ATOM 0 HA GLU C 10 55.811 -15.038 2.408 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.604 -15.814 4.704 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.930 -16.106 5.130 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.815 -18.213 4.318 1.00 0.00 H new ATOM 0 HG3 GLU C 10 54.739 -17.609 3.074 1.00 0.00 H new ATOM 157 N GLN C 11 52.815 -14.593 3.623 1.00 0.00 N ATOM 158 CA GLN C 11 51.393 -14.744 3.334 1.00 0.00 C ATOM 159 C GLN C 11 50.911 -13.623 2.418 1.00 0.00 C ATOM 160 O GLN C 11 49.859 -13.028 2.651 1.00 0.00 O ATOM 161 CB GLN C 11 50.590 -14.723 4.636 1.00 0.00 C ATOM 162 CG GLN C 11 49.472 -15.765 4.564 1.00 0.00 C ATOM 163 CD GLN C 11 48.549 -15.459 3.389 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.983 -15.477 2.237 1.00 0.00 O ATOM 165 NE2 GLN C 11 47.295 -15.178 3.613 1.00 0.00 N ATOM 0 H GLN C 11 53.027 -13.978 4.409 1.00 0.00 H new ATOM 0 HA GLN C 11 51.243 -15.699 2.831 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.244 -14.934 5.482 1.00 0.00 H new ATOM 0 HB3 GLN C 11 50.167 -13.732 4.799 1.00 0.00 H new ATOM 0 HG2 GLN C 11 49.899 -16.762 4.452 1.00 0.00 H new ATOM 0 HG3 GLN C 11 48.903 -15.765 5.494 1.00 0.00 H new ATOM 0 HE21 GLN C 11 46.938 -15.164 4.569 1.00 0.00 H new ATOM 0 HE22 GLN C 11 46.671 -14.972 2.833 1.00 0.00 H new ATOM 174 N LEU C 12 51.688 -13.341 1.377 1.00 0.00 N ATOM 175 CA LEU C 12 51.330 -12.289 0.433 1.00 0.00 C ATOM 176 C LEU C 12 50.940 -12.889 -0.915 1.00 0.00 C ATOM 177 O LEU C 12 51.559 -13.845 -1.381 1.00 0.00 O ATOM 178 CB LEU C 12 52.509 -11.332 0.246 1.00 0.00 C ATOM 179 CG LEU C 12 53.715 -12.105 -0.290 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.578 -12.282 -1.803 1.00 0.00 C ATOM 181 CD2 LEU C 12 54.996 -11.327 0.018 1.00 0.00 C ATOM 0 H LEU C 12 52.563 -13.822 1.167 1.00 0.00 H new ATOM 0 HA LEU C 12 50.478 -11.741 0.834 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.238 -10.535 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.760 -10.858 1.195 1.00 0.00 H new ATOM 0 HG LEU C 12 53.760 -13.084 0.187 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.438 -12.833 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU C 12 52.665 -12.836 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.533 -11.304 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU C 12 55.856 -11.877 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU C 12 54.951 -10.348 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU C 12 55.095 -11.201 1.096 1.00 0.00 H new ATOM 193 N THR C 13 49.911 -12.320 -1.534 1.00 0.00 N ATOM 194 CA THR C 13 49.448 -12.807 -2.828 1.00 0.00 C ATOM 195 C THR C 13 49.982 -11.928 -3.954 1.00 0.00 C ATOM 196 O THR C 13 50.385 -10.787 -3.726 1.00 0.00 O ATOM 197 CB THR C 13 47.918 -12.816 -2.866 1.00 0.00 C ATOM 198 OG1 THR C 13 47.415 -13.029 -1.554 1.00 0.00 O ATOM 199 CG2 THR C 13 47.434 -13.935 -3.789 1.00 0.00 C ATOM 0 H THR C 13 49.386 -11.528 -1.164 1.00 0.00 H new ATOM 0 HA THR C 13 49.820 -13.822 -2.967 1.00 0.00 H new ATOM 0 HB THR C 13 47.558 -11.859 -3.243 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.435 -13.033 -1.576 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.344 -13.940 -3.815 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.820 -13.769 -4.795 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.792 -14.895 -3.416 1.00 0.00 H new ATOM 207 N GLU C 14 49.981 -12.466 -5.170 1.00 0.00 N ATOM 208 CA GLU C 14 50.468 -11.720 -6.325 1.00 0.00 C ATOM 209 C GLU C 14 49.786 -10.359 -6.410 1.00 0.00 C ATOM 210 O GLU C 14 50.289 -9.442 -7.060 1.00 0.00 O ATOM 211 CB GLU C 14 50.198 -12.509 -7.607 1.00 0.00 C ATOM 212 CG GLU C 14 50.886 -13.873 -7.523 1.00 0.00 C ATOM 213 CD GLU C 14 52.399 -13.699 -7.590 1.00 0.00 C ATOM 214 OE1 GLU C 14 52.836 -12.621 -7.960 1.00 0.00 O ATOM 215 OE2 GLU C 14 53.100 -14.646 -7.272 1.00 0.00 O ATOM 0 H GLU C 14 49.651 -13.408 -5.380 1.00 0.00 H new ATOM 0 HA GLU C 14 51.541 -11.569 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.125 -12.639 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.567 -11.956 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU C 14 50.610 -14.372 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU C 14 50.548 -14.511 -8.340 1.00 0.00 H new ATOM 222 N GLU C 15 48.640 -10.234 -5.749 1.00 0.00 N ATOM 223 CA GLU C 15 47.898 -8.979 -5.757 1.00 0.00 C ATOM 224 C GLU C 15 48.666 -7.897 -5.004 1.00 0.00 C ATOM 225 O GLU C 15 48.693 -6.738 -5.420 1.00 0.00 O ATOM 226 CB GLU C 15 46.527 -9.178 -5.108 1.00 0.00 C ATOM 227 CG GLU C 15 45.552 -8.124 -5.637 1.00 0.00 C ATOM 228 CD GLU C 15 46.100 -6.727 -5.370 1.00 0.00 C ATOM 229 OE1 GLU C 15 46.402 -6.440 -4.223 1.00 0.00 O ATOM 230 OE2 GLU C 15 46.211 -5.964 -6.315 1.00 0.00 O ATOM 0 H GLU C 15 48.207 -10.980 -5.205 1.00 0.00 H new ATOM 0 HA GLU C 15 47.768 -8.663 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.152 -10.178 -5.326 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.611 -9.099 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU C 15 45.397 -8.264 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU C 15 44.581 -8.241 -5.156 1.00 0.00 H new ATOM 237 N GLN C 16 49.289 -8.283 -3.896 1.00 0.00 N ATOM 238 CA GLN C 16 50.056 -7.337 -3.093 1.00 0.00 C ATOM 239 C GLN C 16 51.470 -7.188 -3.645 1.00 0.00 C ATOM 240 O GLN C 16 51.892 -6.091 -4.009 1.00 0.00 O ATOM 241 CB GLN C 16 50.120 -7.816 -1.641 1.00 0.00 C ATOM 242 CG GLN C 16 48.702 -8.052 -1.117 1.00 0.00 C ATOM 243 CD GLN C 16 47.955 -6.726 -1.020 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.492 -5.746 -0.504 1.00 0.00 O ATOM 245 NE2 GLN C 16 46.740 -6.636 -1.489 1.00 0.00 N ATOM 0 H GLN C 16 49.279 -9.237 -3.535 1.00 0.00 H new ATOM 0 HA GLN C 16 49.559 -6.368 -3.134 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.701 -8.736 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.628 -7.074 -1.025 1.00 0.00 H new ATOM 0 HG2 GLN C 16 48.168 -8.732 -1.781 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.742 -8.529 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN C 16 46.297 -7.449 -1.916 1.00 0.00 H new ATOM 0 HE22 GLN C 16 46.234 -5.752 -1.428 1.00 0.00 H new ATOM 254 N LYS C 17 52.197 -8.299 -3.703 1.00 0.00 N ATOM 255 CA LYS C 17 53.563 -8.280 -4.213 1.00 0.00 C ATOM 256 C LYS C 17 53.656 -7.415 -5.466 1.00 0.00 C ATOM 257 O LYS C 17 54.541 -6.568 -5.583 1.00 0.00 O ATOM 258 CB LYS C 17 54.019 -9.704 -4.538 1.00 0.00 C ATOM 259 CG LYS C 17 55.527 -9.710 -4.798 1.00 0.00 C ATOM 260 CD LYS C 17 55.959 -11.103 -5.261 1.00 0.00 C ATOM 261 CE LYS C 17 57.486 -11.165 -5.335 1.00 0.00 C ATOM 262 NZ LYS C 17 58.059 -10.932 -3.979 1.00 0.00 N ATOM 0 H LYS C 17 51.866 -9.217 -3.406 1.00 0.00 H new ATOM 0 HA LYS C 17 54.211 -7.857 -3.445 1.00 0.00 H new ATOM 0 HB2 LYS C 17 53.779 -10.372 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.487 -10.077 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.779 -8.969 -5.556 1.00 0.00 H new ATOM 0 HG3 LYS C 17 56.064 -9.434 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS C 17 55.587 -11.859 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS C 17 55.528 -11.323 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS C 17 57.803 -12.137 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS C 17 57.858 -10.414 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 58.992 -11.387 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 58.160 -9.910 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 57.426 -11.337 -3.260 1.00 0.00 H new ATOM 276 N ASN C 18 52.737 -7.636 -6.401 1.00 0.00 N ATOM 277 CA ASN C 18 52.724 -6.871 -7.642 1.00 0.00 C ATOM 278 C ASN C 18 52.810 -5.376 -7.351 1.00 0.00 C ATOM 279 O ASN C 18 53.305 -4.602 -8.170 1.00 0.00 O ATOM 280 CB ASN C 18 51.445 -7.168 -8.426 1.00 0.00 C ATOM 281 CG ASN C 18 51.470 -6.434 -9.763 1.00 0.00 C ATOM 282 OD1 ASN C 18 50.797 -5.417 -9.926 1.00 0.00 O ATOM 283 ND2 ASN C 18 52.212 -6.893 -10.734 1.00 0.00 N ATOM 0 H ASN C 18 51.997 -8.334 -6.324 1.00 0.00 H new ATOM 0 HA ASN C 18 53.590 -7.164 -8.236 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.352 -8.241 -8.593 1.00 0.00 H new ATOM 0 HB3 ASN C 18 50.574 -6.858 -7.848 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.235 -6.408 -11.631 1.00 0.00 H new ATOM 0 HD22 ASN C 18 52.769 -7.736 -10.596 1.00 0.00 H new ATOM 290 N GLU C 19 52.324 -4.977 -6.180 1.00 0.00 N ATOM 291 CA GLU C 19 52.351 -3.572 -5.792 1.00 0.00 C ATOM 292 C GLU C 19 53.693 -3.216 -5.159 1.00 0.00 C ATOM 293 O GLU C 19 54.301 -2.202 -5.499 1.00 0.00 O ATOM 294 CB GLU C 19 51.224 -3.283 -4.799 1.00 0.00 C ATOM 295 CG GLU C 19 49.882 -3.677 -5.420 1.00 0.00 C ATOM 296 CD GLU C 19 48.742 -3.297 -4.482 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.027 -2.909 -3.362 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.599 -3.400 -4.899 1.00 0.00 O ATOM 0 H GLU C 19 51.910 -5.602 -5.488 1.00 0.00 H new ATOM 0 HA GLU C 19 52.212 -2.965 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.387 -3.839 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.219 -2.225 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.756 -3.177 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.862 -4.749 -5.614 1.00 0.00 H new ATOM 305 N PHE C 20 54.148 -4.058 -4.237 1.00 0.00 N ATOM 306 CA PHE C 20 55.419 -3.822 -3.562 1.00 0.00 C ATOM 307 C PHE C 20 56.569 -3.840 -4.564 1.00 0.00 C ATOM 308 O PHE C 20 57.538 -3.094 -4.424 1.00 0.00 O ATOM 309 CB PHE C 20 55.652 -4.895 -2.497 1.00 0.00 C ATOM 310 CG PHE C 20 56.976 -5.575 -2.748 1.00 0.00 C ATOM 311 CD1 PHE C 20 57.092 -6.525 -3.770 1.00 0.00 C ATOM 312 CD2 PHE C 20 58.087 -5.257 -1.958 1.00 0.00 C ATOM 313 CE1 PHE C 20 58.320 -7.156 -4.003 1.00 0.00 C ATOM 314 CE2 PHE C 20 59.315 -5.888 -2.190 1.00 0.00 C ATOM 315 CZ PHE C 20 59.432 -6.837 -3.213 1.00 0.00 C ATOM 0 H PHE C 20 53.660 -4.904 -3.942 1.00 0.00 H new ATOM 0 HA PHE C 20 55.380 -2.841 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.645 -4.445 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE C 20 54.845 -5.627 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE C 20 56.234 -6.771 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE C 20 57.997 -4.525 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE C 20 58.410 -7.888 -4.792 1.00 0.00 H new ATOM 0 HE2 PHE C 20 60.172 -5.643 -1.580 1.00 0.00 H new ATOM 0 HZ PHE C 20 60.380 -7.323 -3.393 1.00 0.00 H new ATOM 325 N LYS C 21 56.454 -4.695 -5.574 1.00 0.00 N ATOM 326 CA LYS C 21 57.490 -4.801 -6.595 1.00 0.00 C ATOM 327 C LYS C 21 57.639 -3.483 -7.347 1.00 0.00 C ATOM 328 O LYS C 21 58.698 -3.189 -7.902 1.00 0.00 O ATOM 329 CB LYS C 21 57.140 -5.917 -7.581 1.00 0.00 C ATOM 330 CG LYS C 21 58.302 -6.122 -8.555 1.00 0.00 C ATOM 331 CD LYS C 21 57.922 -7.184 -9.588 1.00 0.00 C ATOM 332 CE LYS C 21 59.137 -7.508 -10.459 1.00 0.00 C ATOM 333 NZ LYS C 21 59.633 -6.260 -11.105 1.00 0.00 N ATOM 0 H LYS C 21 55.660 -5.321 -5.708 1.00 0.00 H new ATOM 0 HA LYS C 21 58.435 -5.034 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.936 -6.842 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS C 21 56.233 -5.661 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS C 21 58.541 -5.183 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS C 21 59.195 -6.431 -8.012 1.00 0.00 H new ATOM 0 HD2 LYS C 21 57.571 -8.085 -9.086 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.102 -6.825 -10.209 1.00 0.00 H new ATOM 0 HE2 LYS C 21 59.925 -7.953 -9.851 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.868 -8.241 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 60.268 -6.505 -11.891 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.827 -5.713 -11.469 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 60.151 -5.690 -10.406 1.00 0.00 H new ATOM 347 N ALA C 22 56.570 -2.692 -7.362 1.00 0.00 N ATOM 348 CA ALA C 22 56.593 -1.407 -8.049 1.00 0.00 C ATOM 349 C ALA C 22 57.614 -0.473 -7.407 1.00 0.00 C ATOM 350 O ALA C 22 58.619 -0.118 -8.023 1.00 0.00 O ATOM 351 CB ALA C 22 55.207 -0.762 -7.998 1.00 0.00 C ATOM 0 H ALA C 22 55.684 -2.917 -6.910 1.00 0.00 H new ATOM 0 HA ALA C 22 56.876 -1.578 -9.088 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.233 0.198 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.483 -1.416 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.915 -0.608 -6.959 1.00 0.00 H new ATOM 357 N ALA C 23 57.349 -0.079 -6.165 1.00 0.00 N ATOM 358 CA ALA C 23 58.252 0.814 -5.449 1.00 0.00 C ATOM 359 C ALA C 23 59.668 0.247 -5.435 1.00 0.00 C ATOM 360 O ALA C 23 60.623 0.927 -5.811 1.00 0.00 O ATOM 361 CB ALA C 23 57.764 1.007 -4.012 1.00 0.00 C ATOM 0 H ALA C 23 56.523 -0.362 -5.637 1.00 0.00 H new ATOM 0 HA ALA C 23 58.263 1.776 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.444 1.675 -3.484 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.764 1.441 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.736 0.043 -3.505 1.00 0.00 H new ATOM 367 N PHE C 24 59.796 -1.002 -5.000 1.00 0.00 N ATOM 368 CA PHE C 24 61.101 -1.650 -4.942 1.00 0.00 C ATOM 369 C PHE C 24 61.937 -1.285 -6.165 1.00 0.00 C ATOM 370 O PHE C 24 63.151 -1.104 -6.067 1.00 0.00 O ATOM 371 CB PHE C 24 60.927 -3.169 -4.876 1.00 0.00 C ATOM 372 CG PHE C 24 62.284 -3.829 -4.824 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.944 -3.976 -3.598 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.882 -4.294 -6.001 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.202 -4.589 -3.549 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.140 -4.907 -5.952 1.00 0.00 C ATOM 377 CZ PHE C 24 64.800 -5.054 -4.727 1.00 0.00 C ATOM 0 H PHE C 24 59.018 -1.582 -4.685 1.00 0.00 H new ATOM 0 HA PHE C 24 61.618 -1.304 -4.047 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.344 -3.441 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.373 -3.521 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.483 -3.617 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.373 -4.180 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.711 -4.703 -2.603 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.601 -5.266 -6.860 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.771 -5.526 -4.690 1.00 0.00 H new ATOM 387 N ASP C 25 61.279 -1.177 -7.314 1.00 0.00 N ATOM 388 CA ASP C 25 61.972 -0.832 -8.550 1.00 0.00 C ATOM 389 C ASP C 25 62.375 0.639 -8.546 1.00 0.00 C ATOM 390 O ASP C 25 63.549 0.972 -8.712 1.00 0.00 O ATOM 391 CB ASP C 25 61.068 -1.112 -9.752 1.00 0.00 C ATOM 392 CG ASP C 25 61.853 -0.936 -11.047 1.00 0.00 C ATOM 393 OD1 ASP C 25 63.054 -0.735 -10.967 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.242 -1.004 -12.101 1.00 0.00 O ATOM 0 H ASP C 25 60.274 -1.322 -7.416 1.00 0.00 H new ATOM 0 HA ASP C 25 62.872 -1.443 -8.622 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.673 -2.126 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.213 -0.435 -9.740 1.00 0.00 H new ATOM 399 N ILE C 26 61.395 1.516 -8.357 1.00 0.00 N ATOM 400 CA ILE C 26 61.659 2.950 -8.334 1.00 0.00 C ATOM 401 C ILE C 26 62.561 3.310 -7.158 1.00 0.00 C ATOM 402 O ILE C 26 63.214 4.354 -7.161 1.00 0.00 O ATOM 403 CB ILE C 26 60.343 3.722 -8.224 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.439 3.355 -9.404 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.628 5.224 -8.250 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.017 3.849 -9.130 1.00 0.00 C ATOM 0 H ILE C 26 60.417 1.262 -8.218 1.00 0.00 H new ATOM 0 HA ILE C 26 62.163 3.222 -9.261 1.00 0.00 H new ATOM 0 HB ILE C 26 59.847 3.463 -7.289 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.821 3.803 -10.321 1.00 0.00 H new ATOM 0 HG13 ILE C 26 59.438 2.275 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.690 5.774 -8.172 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.274 5.486 -7.412 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.124 5.484 -9.185 1.00 0.00 H new ATOM 0 HD11 ILE C 26 57.373 3.588 -9.970 1.00 0.00 H new ATOM 0 HD12 ILE C 26 57.637 3.380 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.026 4.931 -9.003 1.00 0.00 H new ATOM 418 N PHE C 27 62.593 2.439 -6.155 1.00 0.00 N ATOM 419 CA PHE C 27 63.420 2.676 -4.977 1.00 0.00 C ATOM 420 C PHE C 27 64.892 2.436 -5.298 1.00 0.00 C ATOM 421 O PHE C 27 65.775 3.049 -4.699 1.00 0.00 O ATOM 422 CB PHE C 27 62.986 1.749 -3.839 1.00 0.00 C ATOM 423 CG PHE C 27 61.962 2.451 -2.981 1.00 0.00 C ATOM 424 CD1 PHE C 27 60.856 3.070 -3.576 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.117 2.483 -1.590 1.00 0.00 C ATOM 426 CE1 PHE C 27 59.906 3.721 -2.780 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.167 3.134 -0.794 1.00 0.00 C ATOM 428 CZ PHE C 27 60.061 3.753 -1.389 1.00 0.00 C ATOM 0 H PHE C 27 62.061 1.569 -6.133 1.00 0.00 H new ATOM 0 HA PHE C 27 63.292 3.714 -4.669 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.566 0.829 -4.245 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.849 1.467 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE C 27 60.736 3.045 -4.649 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.970 2.005 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.053 4.199 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.287 3.159 0.279 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.328 4.255 -0.775 1.00 0.00 H new ATOM 438 N VAL C 28 65.147 1.541 -6.246 1.00 0.00 N ATOM 439 CA VAL C 28 66.516 1.228 -6.639 1.00 0.00 C ATOM 440 C VAL C 28 66.774 1.663 -8.078 1.00 0.00 C ATOM 441 O VAL C 28 67.529 1.019 -8.806 1.00 0.00 O ATOM 442 CB VAL C 28 66.767 -0.275 -6.506 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.156 -0.781 -5.198 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.121 -1.005 -7.685 1.00 0.00 C ATOM 0 H VAL C 28 64.430 1.023 -6.753 1.00 0.00 H new ATOM 0 HA VAL C 28 67.195 1.770 -5.981 1.00 0.00 H new ATOM 0 HB VAL C 28 67.840 -0.465 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.335 -1.852 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.614 -0.261 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.083 -0.591 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.299 -2.076 -7.591 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.048 -0.814 -7.687 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.555 -0.645 -8.618 1.00 0.00 H new ATOM 454 N LEU C 29 66.141 2.760 -8.481 1.00 0.00 N ATOM 455 CA LEU C 29 66.309 3.273 -9.836 1.00 0.00 C ATOM 456 C LEU C 29 67.695 3.887 -10.008 1.00 0.00 C ATOM 457 O LEU C 29 67.867 5.099 -9.879 1.00 0.00 O ATOM 458 CB LEU C 29 65.241 4.327 -10.132 1.00 0.00 C ATOM 459 CG LEU C 29 64.257 3.780 -11.168 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.096 4.761 -11.337 1.00 0.00 C ATOM 461 CD2 LEU C 29 64.974 3.605 -12.508 1.00 0.00 C ATOM 0 H LEU C 29 65.512 3.307 -7.894 1.00 0.00 H new ATOM 0 HA LEU C 29 66.202 2.443 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.712 4.591 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.708 5.239 -10.504 1.00 0.00 H new ATOM 0 HG LEU C 29 63.873 2.817 -10.831 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.395 4.371 -12.075 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.585 4.888 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.480 5.724 -11.674 1.00 0.00 H new ATOM 0 HD21 LEU C 29 64.274 3.215 -13.247 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.357 4.568 -12.844 1.00 0.00 H new ATOM 0 HD23 LEU C 29 65.802 2.906 -12.389 1.00 0.00 H new ATOM 473 N GLY C 30 68.679 3.043 -10.301 1.00 0.00 N ATOM 474 CA GLY C 30 70.046 3.514 -10.488 1.00 0.00 C ATOM 475 C GLY C 30 71.008 2.778 -9.562 1.00 0.00 C ATOM 476 O GLY C 30 72.191 3.110 -9.490 1.00 0.00 O ATOM 0 H GLY C 30 68.557 2.037 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.347 3.365 -11.525 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.095 4.585 -10.293 1.00 0.00 H new ATOM 480 N ALA C 31 70.492 1.777 -8.856 1.00 0.00 N ATOM 481 CA ALA C 31 71.315 1.000 -7.937 1.00 0.00 C ATOM 482 C ALA C 31 72.356 0.190 -8.704 1.00 0.00 C ATOM 483 O ALA C 31 72.324 0.126 -9.933 1.00 0.00 O ATOM 484 CB ALA C 31 70.434 0.056 -7.117 1.00 0.00 C ATOM 0 H ALA C 31 69.515 1.487 -8.902 1.00 0.00 H new ATOM 0 HA ALA C 31 71.829 1.690 -7.268 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.057 -0.521 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.710 0.638 -6.546 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.906 -0.623 -7.787 1.00 0.00 H new ATOM 490 N GLU C 32 73.277 -0.426 -7.970 1.00 0.00 N ATOM 491 CA GLU C 32 74.323 -1.230 -8.592 1.00 0.00 C ATOM 492 C GLU C 32 73.943 -2.707 -8.579 1.00 0.00 C ATOM 493 O GLU C 32 74.082 -3.402 -9.586 1.00 0.00 O ATOM 494 CB GLU C 32 75.645 -1.034 -7.847 1.00 0.00 C ATOM 495 CG GLU C 32 75.386 -0.296 -6.532 1.00 0.00 C ATOM 496 CD GLU C 32 75.091 1.175 -6.809 1.00 0.00 C ATOM 497 OE1 GLU C 32 75.293 1.597 -7.936 1.00 0.00 O ATOM 498 OE2 GLU C 32 74.667 1.857 -5.891 1.00 0.00 O ATOM 0 H GLU C 32 73.321 -0.385 -6.952 1.00 0.00 H new ATOM 0 HA GLU C 32 74.438 -0.906 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU C 32 76.109 -2.000 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU C 32 76.341 -0.466 -8.464 1.00 0.00 H new ATOM 0 HG2 GLU C 32 74.545 -0.752 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.254 -0.385 -5.879 1.00 0.00 H new ATOM 505 N ASP C 33 73.465 -3.179 -7.433 1.00 0.00 N ATOM 506 CA ASP C 33 73.068 -4.577 -7.301 1.00 0.00 C ATOM 507 C ASP C 33 71.548 -4.701 -7.260 1.00 0.00 C ATOM 508 O ASP C 33 70.969 -5.572 -7.909 1.00 0.00 O ATOM 509 CB ASP C 33 73.665 -5.170 -6.023 1.00 0.00 C ATOM 510 CG ASP C 33 75.186 -5.206 -6.127 1.00 0.00 C ATOM 511 OD1 ASP C 33 75.690 -5.026 -7.223 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.825 -5.414 -5.108 1.00 0.00 O ATOM 0 H ASP C 33 73.343 -2.620 -6.588 1.00 0.00 H new ATOM 0 HA ASP C 33 73.442 -5.125 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.365 -4.574 -5.161 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.279 -6.177 -5.864 1.00 0.00 H new ATOM 517 N GLY C 34 70.908 -3.825 -6.492 1.00 0.00 N ATOM 518 CA GLY C 34 69.455 -3.846 -6.374 1.00 0.00 C ATOM 519 C GLY C 34 69.022 -3.609 -4.932 1.00 0.00 C ATOM 520 O GLY C 34 68.197 -4.347 -4.392 1.00 0.00 O ATOM 0 H GLY C 34 71.369 -3.097 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY C 34 69.023 -3.080 -7.018 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.072 -4.806 -6.720 1.00 0.00 H new ATOM 524 N CYS C 35 69.583 -2.576 -4.313 1.00 0.00 N ATOM 525 CA CYS C 35 69.247 -2.251 -2.931 1.00 0.00 C ATOM 526 C CYS C 35 68.873 -0.778 -2.803 1.00 0.00 C ATOM 527 O CYS C 35 68.650 -0.095 -3.803 1.00 0.00 O ATOM 528 CB CYS C 35 70.436 -2.559 -2.019 1.00 0.00 C ATOM 529 SG CYS C 35 71.856 -1.553 -2.517 1.00 0.00 S ATOM 0 H CYS C 35 70.267 -1.953 -4.742 1.00 0.00 H new ATOM 0 HA CYS C 35 68.393 -2.858 -2.632 1.00 0.00 H new ATOM 0 HB2 CYS C 35 70.175 -2.351 -0.981 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.688 -3.618 -2.078 1.00 0.00 H new ATOM 0 HG CYS C 35 72.948 -2.086 -2.056 1.00 0.00 H new ATOM 535 N ILE C 36 68.804 -0.296 -1.567 1.00 0.00 N ATOM 536 CA ILE C 36 68.455 1.098 -1.319 1.00 0.00 C ATOM 537 C ILE C 36 69.472 1.748 -0.387 1.00 0.00 C ATOM 538 O ILE C 36 70.076 1.079 0.452 1.00 0.00 O ATOM 539 CB ILE C 36 67.061 1.185 -0.697 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.038 1.522 -1.785 1.00 0.00 C ATOM 541 CG2 ILE C 36 67.045 2.279 0.372 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.668 3.004 -1.697 1.00 0.00 C ATOM 0 H ILE C 36 68.984 -0.845 -0.727 1.00 0.00 H new ATOM 0 HA ILE C 36 68.461 1.629 -2.271 1.00 0.00 H new ATOM 0 HB ILE C 36 66.807 0.228 -0.241 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.450 1.297 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE C 36 65.147 0.906 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE C 36 66.051 2.340 0.815 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.774 2.041 1.147 1.00 0.00 H new ATOM 0 HG23 ILE C 36 67.299 3.236 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.940 3.244 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.238 3.214 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE C 36 66.562 3.611 -1.839 1.00 0.00 H new ATOM 554 N SER C 37 69.657 3.055 -0.538 1.00 0.00 N ATOM 555 CA SER C 37 70.604 3.785 0.297 1.00 0.00 C ATOM 556 C SER C 37 70.244 5.267 0.346 1.00 0.00 C ATOM 557 O SER C 37 71.119 6.130 0.282 1.00 0.00 O ATOM 558 CB SER C 37 72.020 3.621 -0.255 1.00 0.00 C ATOM 559 OG SER C 37 72.483 2.306 0.026 1.00 0.00 O ATOM 0 H SER C 37 69.168 3.627 -1.226 1.00 0.00 H new ATOM 0 HA SER C 37 70.558 3.378 1.307 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.027 3.800 -1.330 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.686 4.358 0.195 1.00 0.00 H new ATOM 0 HG SER C 37 71.734 1.754 0.332 1.00 0.00 H new ATOM 565 N THR C 38 68.951 5.553 0.460 1.00 0.00 N ATOM 566 CA THR C 38 68.487 6.935 0.517 1.00 0.00 C ATOM 567 C THR C 38 68.680 7.621 -0.832 1.00 0.00 C ATOM 568 O THR C 38 67.728 8.135 -1.419 1.00 0.00 O ATOM 569 CB THR C 38 69.257 7.700 1.596 1.00 0.00 C ATOM 570 OG1 THR C 38 68.379 8.610 2.245 1.00 0.00 O ATOM 571 CG2 THR C 38 70.410 8.471 0.953 1.00 0.00 C ATOM 0 H THR C 38 68.211 4.853 0.514 1.00 0.00 H new ATOM 0 HA THR C 38 67.425 6.933 0.762 1.00 0.00 H new ATOM 0 HB THR C 38 69.657 6.996 2.326 1.00 0.00 H new ATOM 0 HG1 THR C 38 68.853 9.448 2.429 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.958 9.015 1.722 1.00 0.00 H new ATOM 0 HG22 THR C 38 71.082 7.772 0.455 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.014 9.176 0.222 1.00 0.00 H new ATOM 579 N LYS C 39 69.917 7.625 -1.316 1.00 0.00 N ATOM 580 CA LYS C 39 70.223 8.251 -2.597 1.00 0.00 C ATOM 581 C LYS C 39 69.122 7.962 -3.612 1.00 0.00 C ATOM 582 O LYS C 39 68.741 8.832 -4.395 1.00 0.00 O ATOM 583 CB LYS C 39 71.560 7.729 -3.128 1.00 0.00 C ATOM 584 CG LYS C 39 72.636 7.893 -2.054 1.00 0.00 C ATOM 585 CD LYS C 39 72.881 9.381 -1.799 1.00 0.00 C ATOM 586 CE LYS C 39 74.259 9.571 -1.163 1.00 0.00 C ATOM 587 NZ LYS C 39 74.247 10.787 -0.302 1.00 0.00 N ATOM 0 H LYS C 39 70.719 7.205 -0.845 1.00 0.00 H new ATOM 0 HA LYS C 39 70.288 9.329 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.467 6.679 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.844 8.275 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.323 7.402 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.560 7.411 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS C 39 72.822 9.936 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.108 9.780 -1.143 1.00 0.00 H new ATOM 0 HE2 LYS C 39 74.521 8.695 -0.570 1.00 0.00 H new ATOM 0 HE3 LYS C 39 75.019 9.669 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.184 10.916 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 74.015 11.620 -0.880 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 73.533 10.676 0.446 1.00 0.00 H new ATOM 601 N GLU C 40 68.615 6.733 -3.593 1.00 0.00 N ATOM 602 CA GLU C 40 67.557 6.340 -4.516 1.00 0.00 C ATOM 603 C GLU C 40 66.186 6.526 -3.872 1.00 0.00 C ATOM 604 O GLU C 40 65.233 6.944 -4.529 1.00 0.00 O ATOM 605 CB GLU C 40 67.737 4.876 -4.924 1.00 0.00 C ATOM 606 CG GLU C 40 69.148 4.670 -5.478 1.00 0.00 C ATOM 607 CD GLU C 40 70.137 4.493 -4.331 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.709 4.560 -3.190 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.308 4.293 -4.610 1.00 0.00 O ATOM 0 H GLU C 40 68.917 5.998 -2.954 1.00 0.00 H new ATOM 0 HA GLU C 40 67.619 6.974 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.574 4.225 -4.065 1.00 0.00 H new ATOM 0 HB3 GLU C 40 66.996 4.603 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.169 3.794 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.436 5.525 -6.089 1.00 0.00 H new ATOM 616 N LEU C 41 66.096 6.212 -2.584 1.00 0.00 N ATOM 617 CA LEU C 41 64.837 6.348 -1.861 1.00 0.00 C ATOM 618 C LEU C 41 64.346 7.791 -1.907 1.00 0.00 C ATOM 619 O LEU C 41 63.255 8.071 -2.404 1.00 0.00 O ATOM 620 CB LEU C 41 65.021 5.915 -0.405 1.00 0.00 C ATOM 621 CG LEU C 41 63.727 5.282 0.107 1.00 0.00 C ATOM 622 CD1 LEU C 41 64.013 4.502 1.391 1.00 0.00 C ATOM 623 CD2 LEU C 41 62.703 6.382 0.398 1.00 0.00 C ATOM 0 H LEU C 41 66.873 5.864 -2.023 1.00 0.00 H new ATOM 0 HA LEU C 41 64.095 5.708 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.842 5.202 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.286 6.775 0.210 1.00 0.00 H new ATOM 0 HG LEU C 41 63.330 4.604 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU C 41 63.090 4.051 1.756 1.00 0.00 H new ATOM 0 HD12 LEU C 41 64.743 3.719 1.186 1.00 0.00 H new ATOM 0 HD13 LEU C 41 64.409 5.179 2.147 1.00 0.00 H new ATOM 0 HD21 LEU C 41 61.780 5.932 0.763 1.00 0.00 H new ATOM 0 HD22 LEU C 41 63.101 7.059 1.154 1.00 0.00 H new ATOM 0 HD23 LEU C 41 62.498 6.940 -0.516 1.00 0.00 H new ATOM 635 N GLY C 42 65.158 8.704 -1.384 1.00 0.00 N ATOM 636 CA GLY C 42 64.796 10.117 -1.371 1.00 0.00 C ATOM 637 C GLY C 42 64.247 10.552 -2.725 1.00 0.00 C ATOM 638 O GLY C 42 63.274 11.302 -2.800 1.00 0.00 O ATOM 0 H GLY C 42 66.064 8.493 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.050 10.298 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.670 10.718 -1.119 1.00 0.00 H new ATOM 642 N LYS C 43 64.877 10.075 -3.794 1.00 0.00 N ATOM 643 CA LYS C 43 64.443 10.422 -5.142 1.00 0.00 C ATOM 644 C LYS C 43 62.924 10.338 -5.254 1.00 0.00 C ATOM 645 O LYS C 43 62.293 11.167 -5.911 1.00 0.00 O ATOM 646 CB LYS C 43 65.084 9.474 -6.158 1.00 0.00 C ATOM 647 CG LYS C 43 64.889 10.029 -7.570 1.00 0.00 C ATOM 648 CD LYS C 43 65.483 9.054 -8.589 1.00 0.00 C ATOM 649 CE LYS C 43 65.323 9.628 -9.998 1.00 0.00 C ATOM 650 NZ LYS C 43 64.310 8.831 -10.746 1.00 0.00 N ATOM 0 H LYS C 43 65.684 9.452 -3.754 1.00 0.00 H new ATOM 0 HA LYS C 43 64.756 11.445 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS C 43 66.147 9.360 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.635 8.484 -6.080 1.00 0.00 H new ATOM 0 HG2 LYS C 43 63.828 10.179 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS C 43 65.371 11.003 -7.659 1.00 0.00 H new ATOM 0 HD2 LYS C 43 66.537 8.883 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS C 43 64.982 8.088 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS C 43 65.013 10.672 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.278 9.606 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 64.200 9.220 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 64.624 7.841 -10.808 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 63.398 8.874 -10.248 1.00 0.00 H new ATOM 664 N VAL C 44 62.342 9.332 -4.609 1.00 0.00 N ATOM 665 CA VAL C 44 60.896 9.150 -4.643 1.00 0.00 C ATOM 666 C VAL C 44 60.205 10.178 -3.753 1.00 0.00 C ATOM 667 O VAL C 44 59.152 10.710 -4.105 1.00 0.00 O ATOM 668 CB VAL C 44 60.536 7.741 -4.172 1.00 0.00 C ATOM 669 CG1 VAL C 44 61.668 6.777 -4.531 1.00 0.00 C ATOM 670 CG2 VAL C 44 60.335 7.747 -2.655 1.00 0.00 C ATOM 0 H VAL C 44 62.846 8.635 -4.060 1.00 0.00 H new ATOM 0 HA VAL C 44 60.556 9.288 -5.669 1.00 0.00 H new ATOM 0 HB VAL C 44 59.616 7.419 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL C 44 61.411 5.773 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL C 44 61.813 6.772 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL C 44 62.588 7.098 -4.043 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.078 6.743 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL C 44 61.255 8.069 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL C 44 59.528 8.433 -2.398 1.00 0.00 H new ATOM 680 N MET C 45 60.805 10.453 -2.599 1.00 0.00 N ATOM 681 CA MET C 45 60.237 11.420 -1.666 1.00 0.00 C ATOM 682 C MET C 45 59.788 12.677 -2.404 1.00 0.00 C ATOM 683 O MET C 45 58.604 13.015 -2.410 1.00 0.00 O ATOM 684 CB MET C 45 61.275 11.792 -0.605 1.00 0.00 C ATOM 685 CG MET C 45 61.480 10.611 0.345 1.00 0.00 C ATOM 686 SD MET C 45 60.049 10.466 1.445 1.00 0.00 S ATOM 687 CE MET C 45 59.424 8.896 0.798 1.00 0.00 C ATOM 0 H MET C 45 61.677 10.024 -2.289 1.00 0.00 H new ATOM 0 HA MET C 45 59.371 10.967 -1.184 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.219 12.057 -1.082 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.943 12.668 -0.047 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.609 9.691 -0.224 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.389 10.754 0.930 1.00 0.00 H new ATOM 0 HE1 MET C 45 58.612 8.539 1.432 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.055 9.042 -0.217 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.228 8.160 0.789 1.00 0.00 H new ATOM 697 N ARG C 46 60.740 13.364 -3.025 1.00 0.00 N ATOM 698 CA ARG C 46 60.431 14.583 -3.764 1.00 0.00 C ATOM 699 C ARG C 46 59.108 14.437 -4.509 1.00 0.00 C ATOM 700 O ARG C 46 58.339 15.392 -4.620 1.00 0.00 O ATOM 701 CB ARG C 46 61.550 14.887 -4.762 1.00 0.00 C ATOM 702 CG ARG C 46 61.272 16.225 -5.450 1.00 0.00 C ATOM 703 CD ARG C 46 62.380 16.519 -6.462 1.00 0.00 C ATOM 704 NE ARG C 46 62.183 17.835 -7.059 1.00 0.00 N ATOM 705 CZ ARG C 46 62.394 18.945 -6.360 1.00 0.00 C ATOM 706 NH1 ARG C 46 62.785 18.869 -5.117 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.211 20.112 -6.916 1.00 0.00 N ATOM 0 H ARG C 46 61.725 13.101 -3.032 1.00 0.00 H new ATOM 0 HA ARG C 46 60.346 15.405 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG C 46 62.510 14.923 -4.248 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.616 14.091 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG C 46 60.305 16.194 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.221 17.023 -4.709 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.352 16.477 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG C 46 62.383 15.756 -7.240 1.00 0.00 H new ATOM 0 HE ARG C 46 61.878 17.904 -8.030 1.00 0.00 H new ATOM 0 HH11 ARG C 46 62.929 17.957 -4.682 1.00 0.00 H new ATOM 0 HH12 ARG C 46 62.947 19.721 -4.580 1.00 0.00 H new ATOM 0 HH21 ARG C 46 61.906 20.172 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG C 46 62.373 20.964 -6.379 1.00 0.00 H new ATOM 721 N MET C 47 58.850 13.236 -5.017 1.00 0.00 N ATOM 722 CA MET C 47 57.616 12.977 -5.749 1.00 0.00 C ATOM 723 C MET C 47 56.481 12.643 -4.786 1.00 0.00 C ATOM 724 O MET C 47 55.319 12.950 -5.052 1.00 0.00 O ATOM 725 CB MET C 47 57.821 11.814 -6.722 1.00 0.00 C ATOM 726 CG MET C 47 56.720 11.836 -7.784 1.00 0.00 C ATOM 727 SD MET C 47 56.825 10.338 -8.794 1.00 0.00 S ATOM 728 CE MET C 47 55.115 9.792 -8.568 1.00 0.00 C ATOM 0 H MET C 47 59.474 12.433 -4.936 1.00 0.00 H new ATOM 0 HA MET C 47 57.351 13.875 -6.307 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.800 11.891 -7.196 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.802 10.867 -6.183 1.00 0.00 H new ATOM 0 HG2 MET C 47 55.742 11.898 -7.307 1.00 0.00 H new ATOM 0 HG3 MET C 47 56.825 12.720 -8.413 1.00 0.00 H new ATOM 0 HE1 MET C 47 54.954 8.864 -9.117 1.00 0.00 H new ATOM 0 HE2 MET C 47 54.924 9.625 -7.508 1.00 0.00 H new ATOM 0 HE3 MET C 47 54.436 10.558 -8.943 1.00 0.00 H new ATOM 738 N LEU C 48 56.826 12.014 -3.668 1.00 0.00 N ATOM 739 CA LEU C 48 55.827 11.643 -2.672 1.00 0.00 C ATOM 740 C LEU C 48 55.246 12.887 -2.007 1.00 0.00 C ATOM 741 O LEU C 48 54.246 12.811 -1.293 1.00 0.00 O ATOM 742 CB LEU C 48 56.458 10.742 -1.610 1.00 0.00 C ATOM 743 CG LEU C 48 55.454 9.667 -1.190 1.00 0.00 C ATOM 744 CD1 LEU C 48 55.306 8.640 -2.314 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.957 8.968 0.075 1.00 0.00 C ATOM 0 H LEU C 48 57.782 11.752 -3.429 1.00 0.00 H new ATOM 0 HA LEU C 48 55.023 11.104 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.362 10.277 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.755 11.335 -0.745 1.00 0.00 H new ATOM 0 HG LEU C 48 54.487 10.130 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU C 48 54.591 7.874 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU C 48 54.950 9.137 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU C 48 56.272 8.176 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.243 8.202 0.376 1.00 0.00 H new ATOM 0 HD22 LEU C 48 56.923 8.505 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU C 48 56.064 9.699 0.877 1.00 0.00 H new ATOM 757 N GLY C 49 55.880 14.030 -2.246 1.00 0.00 N ATOM 758 CA GLY C 49 55.417 15.285 -1.665 1.00 0.00 C ATOM 759 C GLY C 49 56.287 15.690 -0.481 1.00 0.00 C ATOM 760 O GLY C 49 55.889 16.517 0.340 1.00 0.00 O ATOM 0 H GLY C 49 56.710 14.114 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.437 16.070 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.381 15.180 -1.341 1.00 0.00 H new ATOM 764 N GLN C 50 57.477 15.104 -0.399 1.00 0.00 N ATOM 765 CA GLN C 50 58.396 15.412 0.691 1.00 0.00 C ATOM 766 C GLN C 50 59.839 15.395 0.195 1.00 0.00 C ATOM 767 O GLN C 50 60.091 15.389 -1.010 1.00 0.00 O ATOM 768 CB GLN C 50 58.231 14.391 1.819 1.00 0.00 C ATOM 769 CG GLN C 50 56.827 14.512 2.414 1.00 0.00 C ATOM 770 CD GLN C 50 56.657 13.515 3.555 1.00 0.00 C ATOM 771 OE1 GLN C 50 57.456 12.589 3.696 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.658 13.650 4.384 1.00 0.00 N ATOM 0 H GLN C 50 57.826 14.418 -1.069 1.00 0.00 H new ATOM 0 HA GLN C 50 58.163 16.408 1.067 1.00 0.00 H new ATOM 0 HB2 GLN C 50 58.390 13.382 1.437 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.981 14.562 2.591 1.00 0.00 H new ATOM 0 HG2 GLN C 50 56.664 15.526 2.779 1.00 0.00 H new ATOM 0 HG3 GLN C 50 56.079 14.326 1.643 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.997 14.418 4.265 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.538 12.988 5.150 1.00 0.00 H new ATOM 781 N ASN C 51 60.781 15.389 1.132 1.00 0.00 N ATOM 782 CA ASN C 51 62.196 15.373 0.778 1.00 0.00 C ATOM 783 C ASN C 51 63.061 15.273 2.030 1.00 0.00 C ATOM 784 O ASN C 51 63.572 16.277 2.527 1.00 0.00 O ATOM 785 CB ASN C 51 62.555 16.645 0.007 1.00 0.00 C ATOM 786 CG ASN C 51 62.649 16.341 -1.484 1.00 0.00 C ATOM 787 OD1 ASN C 51 61.993 16.996 -2.294 1.00 0.00 O ATOM 788 ND2 ASN C 51 63.431 15.382 -1.897 1.00 0.00 N ATOM 0 H ASN C 51 60.593 15.395 2.135 1.00 0.00 H new ATOM 0 HA ASN C 51 62.385 14.502 0.150 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.801 17.412 0.183 1.00 0.00 H new ATOM 0 HB3 ASN C 51 63.504 17.042 0.366 1.00 0.00 H new ATOM 0 HD21 ASN C 51 63.500 15.173 -2.893 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.974 14.841 -1.224 1.00 0.00 H new ATOM 795 N PRO C 52 63.229 14.084 2.541 1.00 0.00 N ATOM 796 CA PRO C 52 64.049 13.838 3.762 1.00 0.00 C ATOM 797 C PRO C 52 65.545 13.961 3.484 1.00 0.00 C ATOM 798 O PRO C 52 65.991 13.796 2.349 1.00 0.00 O ATOM 799 CB PRO C 52 63.683 12.407 4.161 1.00 0.00 C ATOM 800 CG PRO C 52 63.235 11.745 2.900 1.00 0.00 C ATOM 801 CD PRO C 52 62.653 12.842 2.006 1.00 0.00 C ATOM 0 HA PRO C 52 63.847 14.568 4.546 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.539 11.889 4.594 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.892 12.399 4.911 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.070 11.247 2.407 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.487 10.980 3.110 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.928 12.693 0.962 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.564 12.856 2.050 1.00 0.00 H new ATOM 809 N THR C 53 66.314 14.251 4.529 1.00 0.00 N ATOM 810 CA THR C 53 67.758 14.393 4.385 1.00 0.00 C ATOM 811 C THR C 53 68.430 13.024 4.345 1.00 0.00 C ATOM 812 O THR C 53 67.828 12.014 4.709 1.00 0.00 O ATOM 813 CB THR C 53 68.321 15.206 5.553 1.00 0.00 C ATOM 814 OG1 THR C 53 67.379 15.220 6.616 1.00 0.00 O ATOM 815 CG2 THR C 53 68.597 16.639 5.094 1.00 0.00 C ATOM 0 H THR C 53 65.965 14.391 5.477 1.00 0.00 H new ATOM 0 HA THR C 53 67.962 14.912 3.449 1.00 0.00 H new ATOM 0 HB THR C 53 69.250 14.752 5.897 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.739 15.739 7.365 1.00 0.00 H new ATOM 0 HG21 THR C 53 68.998 17.217 5.927 1.00 0.00 H new ATOM 0 HG22 THR C 53 69.321 16.627 4.279 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.669 17.096 4.749 1.00 0.00 H new ATOM 823 N PRO C 54 69.660 12.980 3.912 1.00 0.00 N ATOM 824 CA PRO C 54 70.439 11.712 3.819 1.00 0.00 C ATOM 825 C PRO C 54 70.855 11.192 5.193 1.00 0.00 C ATOM 826 O PRO C 54 71.191 10.017 5.346 1.00 0.00 O ATOM 827 CB PRO C 54 71.664 12.098 2.988 1.00 0.00 C ATOM 828 CG PRO C 54 71.834 13.568 3.187 1.00 0.00 C ATOM 829 CD PRO C 54 70.443 14.141 3.462 1.00 0.00 C ATOM 0 HA PRO C 54 69.856 10.905 3.375 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.549 11.553 3.316 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.515 11.859 1.935 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.507 13.770 4.020 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.274 14.029 2.303 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.476 14.919 4.224 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.012 14.590 2.567 1.00 0.00 H new ATOM 837 N GLU C 55 70.829 12.073 6.187 1.00 0.00 N ATOM 838 CA GLU C 55 71.204 11.692 7.543 1.00 0.00 C ATOM 839 C GLU C 55 70.027 11.041 8.262 1.00 0.00 C ATOM 840 O GLU C 55 70.211 10.183 9.125 1.00 0.00 O ATOM 841 CB GLU C 55 71.664 12.924 8.324 1.00 0.00 C ATOM 842 CG GLU C 55 72.169 12.497 9.703 1.00 0.00 C ATOM 843 CD GLU C 55 72.483 13.727 10.548 1.00 0.00 C ATOM 844 OE1 GLU C 55 72.273 14.825 10.061 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.929 13.552 11.670 1.00 0.00 O ATOM 0 H GLU C 55 70.554 13.049 6.080 1.00 0.00 H new ATOM 0 HA GLU C 55 72.022 10.973 7.485 1.00 0.00 H new ATOM 0 HB2 GLU C 55 72.455 13.438 7.779 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.840 13.629 8.430 1.00 0.00 H new ATOM 0 HG2 GLU C 55 71.417 11.886 10.201 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.062 11.881 9.598 1.00 0.00 H new ATOM 852 N GLU C 56 68.817 11.455 7.899 1.00 0.00 N ATOM 853 CA GLU C 56 67.616 10.905 8.516 1.00 0.00 C ATOM 854 C GLU C 56 67.081 9.734 7.698 1.00 0.00 C ATOM 855 O GLU C 56 66.646 8.724 8.252 1.00 0.00 O ATOM 856 CB GLU C 56 66.541 11.988 8.623 1.00 0.00 C ATOM 857 CG GLU C 56 67.034 13.109 9.540 1.00 0.00 C ATOM 858 CD GLU C 56 65.953 14.174 9.690 1.00 0.00 C ATOM 859 OE1 GLU C 56 64.975 14.103 8.964 1.00 0.00 O ATOM 860 OE2 GLU C 56 66.119 15.044 10.529 1.00 0.00 O ATOM 0 H GLU C 56 68.643 12.164 7.186 1.00 0.00 H new ATOM 0 HA GLU C 56 67.874 10.549 9.513 1.00 0.00 H new ATOM 0 HB2 GLU C 56 66.312 12.387 7.635 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.618 11.562 9.016 1.00 0.00 H new ATOM 0 HG2 GLU C 56 67.294 12.703 10.517 1.00 0.00 H new ATOM 0 HG3 GLU C 56 67.940 13.554 9.129 1.00 0.00 H new ATOM 867 N LEU C 57 67.117 9.876 6.377 1.00 0.00 N ATOM 868 CA LEU C 57 66.634 8.823 5.492 1.00 0.00 C ATOM 869 C LEU C 57 67.011 7.450 6.036 1.00 0.00 C ATOM 870 O LEU C 57 66.205 6.520 6.015 1.00 0.00 O ATOM 871 CB LEU C 57 67.230 9.002 4.094 1.00 0.00 C ATOM 872 CG LEU C 57 66.221 9.719 3.196 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.967 10.538 2.141 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.331 8.685 2.502 1.00 0.00 C ATOM 0 H LEU C 57 67.473 10.704 5.899 1.00 0.00 H new ATOM 0 HA LEU C 57 65.548 8.892 5.435 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.154 9.577 4.152 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.485 8.031 3.669 1.00 0.00 H new ATOM 0 HG LEU C 57 65.604 10.383 3.802 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.247 11.049 1.501 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.601 11.275 2.634 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.584 9.875 1.535 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.612 9.195 1.862 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.948 8.021 1.897 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.798 8.101 3.253 1.00 0.00 H new ATOM 886 N GLN C 58 68.242 7.330 6.524 1.00 0.00 N ATOM 887 CA GLN C 58 68.715 6.064 7.073 1.00 0.00 C ATOM 888 C GLN C 58 67.622 5.396 7.899 1.00 0.00 C ATOM 889 O GLN C 58 67.503 4.171 7.914 1.00 0.00 O ATOM 890 CB GLN C 58 69.947 6.303 7.949 1.00 0.00 C ATOM 891 CG GLN C 58 71.101 6.808 7.081 1.00 0.00 C ATOM 892 CD GLN C 58 72.311 7.121 7.954 1.00 0.00 C ATOM 893 OE1 GLN C 58 72.181 7.264 9.170 1.00 0.00 O ATOM 894 NE2 GLN C 58 73.489 7.235 7.404 1.00 0.00 N ATOM 0 H GLN C 58 68.925 8.087 6.551 1.00 0.00 H new ATOM 0 HA GLN C 58 68.980 5.407 6.245 1.00 0.00 H new ATOM 0 HB2 GLN C 58 69.717 7.031 8.727 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.233 5.379 8.452 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.364 6.056 6.337 1.00 0.00 H new ATOM 0 HG3 GLN C 58 70.794 7.701 6.537 1.00 0.00 H new ATOM 0 HE21 GLN C 58 73.595 7.116 6.397 1.00 0.00 H new ATOM 0 HE22 GLN C 58 74.304 7.443 7.982 1.00 0.00 H new ATOM 903 N GLU C 59 66.825 6.209 8.585 1.00 0.00 N ATOM 904 CA GLU C 59 65.744 5.685 9.411 1.00 0.00 C ATOM 905 C GLU C 59 64.855 4.748 8.599 1.00 0.00 C ATOM 906 O GLU C 59 64.462 3.683 9.075 1.00 0.00 O ATOM 907 CB GLU C 59 64.903 6.837 9.964 1.00 0.00 C ATOM 908 CG GLU C 59 63.888 6.292 10.971 1.00 0.00 C ATOM 909 CD GLU C 59 64.593 5.913 12.269 1.00 0.00 C ATOM 910 OE1 GLU C 59 65.677 6.423 12.502 1.00 0.00 O ATOM 911 OE2 GLU C 59 64.039 5.119 13.010 1.00 0.00 O ATOM 0 H GLU C 59 66.906 7.226 8.586 1.00 0.00 H new ATOM 0 HA GLU C 59 66.182 5.126 10.238 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.547 7.574 10.444 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.386 7.347 9.151 1.00 0.00 H new ATOM 0 HG2 GLU C 59 63.122 7.041 11.169 1.00 0.00 H new ATOM 0 HG3 GLU C 59 63.382 5.421 10.555 1.00 0.00 H new ATOM 918 N MET C 60 64.544 5.152 7.372 1.00 0.00 N ATOM 919 CA MET C 60 63.702 4.339 6.502 1.00 0.00 C ATOM 920 C MET C 60 64.393 3.023 6.164 1.00 0.00 C ATOM 921 O MET C 60 63.760 2.084 5.681 1.00 0.00 O ATOM 922 CB MET C 60 63.394 5.102 5.212 1.00 0.00 C ATOM 923 CG MET C 60 62.449 6.265 5.520 1.00 0.00 C ATOM 924 SD MET C 60 63.389 7.632 6.244 1.00 0.00 S ATOM 925 CE MET C 60 61.986 8.513 6.971 1.00 0.00 C ATOM 0 H MET C 60 64.859 6.030 6.960 1.00 0.00 H new ATOM 0 HA MET C 60 62.772 4.123 7.027 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.317 5.477 4.770 1.00 0.00 H new ATOM 0 HB3 MET C 60 62.939 4.433 4.481 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.952 6.595 4.608 1.00 0.00 H new ATOM 0 HG3 MET C 60 61.669 5.941 6.209 1.00 0.00 H new ATOM 0 HE1 MET C 60 62.343 9.409 7.479 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.287 8.796 6.184 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.482 7.865 7.688 1.00 0.00 H new ATOM 935 N ILE C 61 65.696 2.962 6.420 1.00 0.00 N ATOM 936 CA ILE C 61 66.464 1.755 6.139 1.00 0.00 C ATOM 937 C ILE C 61 66.772 1.003 7.430 1.00 0.00 C ATOM 938 O ILE C 61 66.696 -0.225 7.478 1.00 0.00 O ATOM 939 CB ILE C 61 67.772 2.120 5.435 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.459 2.813 4.107 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.581 0.850 5.167 1.00 0.00 C ATOM 942 CD1 ILE C 61 68.756 3.327 3.480 1.00 0.00 C ATOM 0 H ILE C 61 66.239 3.728 6.819 1.00 0.00 H new ATOM 0 HA ILE C 61 65.869 1.112 5.490 1.00 0.00 H new ATOM 0 HB ILE C 61 68.350 2.791 6.070 1.00 0.00 H new ATOM 0 HG12 ILE C 61 66.966 2.116 3.429 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.769 3.641 4.271 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.513 1.111 4.665 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.804 0.355 6.112 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.003 0.178 4.532 1.00 0.00 H new ATOM 0 HD11 ILE C 61 68.532 3.820 2.534 1.00 0.00 H new ATOM 0 HD12 ILE C 61 69.231 4.038 4.157 1.00 0.00 H new ATOM 0 HD13 ILE C 61 69.431 2.490 3.302 1.00 0.00 H new ATOM 954 N ASP C 62 67.119 1.747 8.475 1.00 0.00 N ATOM 955 CA ASP C 62 67.436 1.140 9.762 1.00 0.00 C ATOM 956 C ASP C 62 66.179 0.564 10.406 1.00 0.00 C ATOM 957 O ASP C 62 66.257 -0.213 11.358 1.00 0.00 O ATOM 958 CB ASP C 62 68.056 2.183 10.693 1.00 0.00 C ATOM 959 CG ASP C 62 69.413 2.623 10.153 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.914 1.963 9.258 1.00 0.00 O ATOM 961 OD2 ASP C 62 69.930 3.614 10.642 1.00 0.00 O ATOM 0 H ASP C 62 67.188 2.765 8.457 1.00 0.00 H new ATOM 0 HA ASP C 62 68.149 0.332 9.596 1.00 0.00 H new ATOM 0 HB2 ASP C 62 67.394 3.044 10.780 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.171 1.767 11.694 1.00 0.00 H new ATOM 966 N GLU C 63 65.021 0.950 9.880 1.00 0.00 N ATOM 967 CA GLU C 63 63.752 0.466 10.412 1.00 0.00 C ATOM 968 C GLU C 63 63.527 -0.991 10.018 1.00 0.00 C ATOM 969 O GLU C 63 62.683 -1.676 10.594 1.00 0.00 O ATOM 970 CB GLU C 63 62.602 1.323 9.881 1.00 0.00 C ATOM 971 CG GLU C 63 62.566 1.242 8.354 1.00 0.00 C ATOM 972 CD GLU C 63 61.122 1.230 7.866 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.552 0.154 7.789 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.606 2.297 7.576 1.00 0.00 O ATOM 0 H GLU C 63 64.935 1.592 9.092 1.00 0.00 H new ATOM 0 HA GLU C 63 63.785 0.536 11.499 1.00 0.00 H new ATOM 0 HB2 GLU C 63 61.655 0.977 10.296 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.730 2.358 10.198 1.00 0.00 H new ATOM 0 HG2 GLU C 63 63.097 2.091 7.924 1.00 0.00 H new ATOM 0 HG3 GLU C 63 63.080 0.342 8.017 1.00 0.00 H new ATOM 981 N VAL C 64 64.289 -1.456 9.033 1.00 0.00 N ATOM 982 CA VAL C 64 64.163 -2.833 8.570 1.00 0.00 C ATOM 983 C VAL C 64 65.513 -3.365 8.099 1.00 0.00 C ATOM 984 O VAL C 64 65.631 -3.899 6.997 1.00 0.00 O ATOM 985 CB VAL C 64 63.155 -2.909 7.422 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.741 -2.707 7.970 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.466 -1.813 6.400 1.00 0.00 C ATOM 0 H VAL C 64 64.994 -0.905 8.544 1.00 0.00 H new ATOM 0 HA VAL C 64 63.813 -3.445 9.401 1.00 0.00 H new ATOM 0 HB VAL C 64 63.223 -3.885 6.942 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.023 -2.761 7.152 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.519 -3.485 8.700 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.673 -1.730 8.449 1.00 0.00 H new ATOM 0 HG21 VAL C 64 62.749 -1.865 5.581 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.397 -0.837 6.881 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.474 -1.955 6.010 1.00 0.00 H new ATOM 997 N ASP C 65 66.529 -3.216 8.943 1.00 0.00 N ATOM 998 CA ASP C 65 67.868 -3.685 8.603 1.00 0.00 C ATOM 999 C ASP C 65 68.307 -4.789 9.559 1.00 0.00 C ATOM 1000 O ASP C 65 69.050 -4.541 10.509 1.00 0.00 O ATOM 1001 CB ASP C 65 68.861 -2.524 8.669 1.00 0.00 C ATOM 1002 CG ASP C 65 70.243 -2.994 8.227 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.419 -4.192 8.077 1.00 0.00 O ATOM 1004 OD2 ASP C 65 71.104 -2.150 8.045 1.00 0.00 O ATOM 0 H ASP C 65 66.452 -2.778 9.861 1.00 0.00 H new ATOM 0 HA ASP C 65 67.846 -4.085 7.589 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.523 -1.709 8.029 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.909 -2.133 9.685 1.00 0.00 H new ATOM 1009 N GLU C 66 67.844 -6.008 9.301 1.00 0.00 N ATOM 1010 CA GLU C 66 68.197 -7.143 10.146 1.00 0.00 C ATOM 1011 C GLU C 66 69.402 -7.882 9.575 1.00 0.00 C ATOM 1012 O GLU C 66 69.571 -9.081 9.800 1.00 0.00 O ATOM 1013 CB GLU C 66 67.010 -8.103 10.253 1.00 0.00 C ATOM 1014 CG GLU C 66 66.776 -8.778 8.901 1.00 0.00 C ATOM 1015 CD GLU C 66 65.485 -9.588 8.939 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.904 -9.689 10.007 1.00 0.00 O ATOM 1017 OE2 GLU C 66 65.096 -10.095 7.899 1.00 0.00 O ATOM 0 H GLU C 66 67.228 -6.234 8.520 1.00 0.00 H new ATOM 0 HA GLU C 66 68.452 -6.769 11.137 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.205 -8.855 11.018 1.00 0.00 H new ATOM 0 HB3 GLU C 66 66.116 -7.560 10.560 1.00 0.00 H new ATOM 0 HG2 GLU C 66 66.720 -8.025 8.114 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.616 -9.429 8.660 1.00 0.00 H new ATOM 1024 N ASP C 67 70.238 -7.160 8.836 1.00 0.00 N ATOM 1025 CA ASP C 67 71.426 -7.758 8.238 1.00 0.00 C ATOM 1026 C ASP C 67 72.580 -6.761 8.226 1.00 0.00 C ATOM 1027 O ASP C 67 73.512 -6.885 7.432 1.00 0.00 O ATOM 1028 CB ASP C 67 71.121 -8.205 6.807 1.00 0.00 C ATOM 1029 CG ASP C 67 71.006 -6.990 5.894 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.345 -5.905 6.338 1.00 0.00 O ATOM 1031 OD2 ASP C 67 70.580 -7.161 4.764 1.00 0.00 O ATOM 0 H ASP C 67 70.116 -6.167 8.638 1.00 0.00 H new ATOM 0 HA ASP C 67 71.714 -8.623 8.836 1.00 0.00 H new ATOM 0 HB2 ASP C 67 71.910 -8.866 6.448 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.192 -8.775 6.786 1.00 0.00 H new ATOM 1036 N GLY C 68 72.511 -5.773 9.113 1.00 0.00 N ATOM 1037 CA GLY C 68 73.556 -4.760 9.195 1.00 0.00 C ATOM 1038 C GLY C 68 74.315 -4.652 7.877 1.00 0.00 C ATOM 1039 O GLY C 68 75.468 -5.072 7.778 1.00 0.00 O ATOM 0 H GLY C 68 71.749 -5.653 9.780 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.114 -3.795 9.445 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.249 -5.011 9.998 1.00 0.00 H new ATOM 1043 N SER C 69 73.662 -4.086 6.868 1.00 0.00 N ATOM 1044 CA SER C 69 74.286 -3.928 5.559 1.00 0.00 C ATOM 1045 C SER C 69 74.266 -2.465 5.130 1.00 0.00 C ATOM 1046 O SER C 69 75.162 -2.004 4.422 1.00 0.00 O ATOM 1047 CB SER C 69 73.547 -4.776 4.523 1.00 0.00 C ATOM 1048 OG SER C 69 72.288 -4.180 4.240 1.00 0.00 O ATOM 0 H SER C 69 72.708 -3.731 6.930 1.00 0.00 H new ATOM 0 HA SER C 69 75.322 -4.260 5.628 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.139 -4.854 3.611 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.406 -5.789 4.899 1.00 0.00 H new ATOM 0 HG SER C 69 71.612 -4.537 4.853 1.00 0.00 H new ATOM 1054 N GLY C 70 73.240 -1.740 5.562 1.00 0.00 N ATOM 1055 CA GLY C 70 73.114 -0.329 5.216 1.00 0.00 C ATOM 1056 C GLY C 70 72.081 -0.128 4.113 1.00 0.00 C ATOM 1057 O GLY C 70 71.385 0.886 4.078 1.00 0.00 O ATOM 0 H GLY C 70 72.488 -2.103 6.148 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.825 0.241 6.099 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.080 0.057 4.890 1.00 0.00 H new ATOM 1061 N THR C 71 71.986 -1.102 3.214 1.00 0.00 N ATOM 1062 CA THR C 71 71.033 -1.022 2.112 1.00 0.00 C ATOM 1063 C THR C 71 69.857 -1.962 2.352 1.00 0.00 C ATOM 1064 O THR C 71 69.989 -2.974 3.040 1.00 0.00 O ATOM 1065 CB THR C 71 71.723 -1.389 0.797 1.00 0.00 C ATOM 1066 OG1 THR C 71 70.915 -0.968 -0.293 1.00 0.00 O ATOM 1067 CG2 THR C 71 71.926 -2.903 0.730 1.00 0.00 C ATOM 0 H THR C 71 72.552 -1.950 3.226 1.00 0.00 H new ATOM 0 HA THR C 71 70.660 0.000 2.053 1.00 0.00 H new ATOM 0 HB THR C 71 72.692 -0.893 0.744 1.00 0.00 H new ATOM 0 HG1 THR C 71 71.455 -0.945 -1.111 1.00 0.00 H new ATOM 0 HG21 THR C 71 72.418 -3.163 -0.207 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.547 -3.224 1.567 1.00 0.00 H new ATOM 0 HG23 THR C 71 70.959 -3.403 0.783 1.00 0.00 H new ATOM 1075 N VAL C 72 68.707 -1.621 1.780 1.00 0.00 N ATOM 1076 CA VAL C 72 67.513 -2.443 1.938 1.00 0.00 C ATOM 1077 C VAL C 72 67.309 -3.333 0.716 1.00 0.00 C ATOM 1078 O VAL C 72 67.796 -3.030 -0.373 1.00 0.00 O ATOM 1079 CB VAL C 72 66.286 -1.551 2.131 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.103 -2.134 1.357 1.00 0.00 C ATOM 1081 CG2 VAL C 72 65.936 -1.483 3.620 1.00 0.00 C ATOM 0 H VAL C 72 68.577 -0.787 1.207 1.00 0.00 H new ATOM 0 HA VAL C 72 67.645 -3.075 2.816 1.00 0.00 H new ATOM 0 HB VAL C 72 66.504 -0.549 1.761 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.229 -1.498 1.495 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.351 -2.185 0.297 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.885 -3.136 1.727 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.062 -0.847 3.760 1.00 0.00 H new ATOM 0 HG22 VAL C 72 65.719 -2.485 3.989 1.00 0.00 H new ATOM 0 HG23 VAL C 72 66.778 -1.068 4.173 1.00 0.00 H new ATOM 1091 N ASP C 73 66.587 -4.433 0.905 1.00 0.00 N ATOM 1092 CA ASP C 73 66.326 -5.361 -0.190 1.00 0.00 C ATOM 1093 C ASP C 73 64.877 -5.837 -0.153 1.00 0.00 C ATOM 1094 O ASP C 73 64.109 -5.454 0.730 1.00 0.00 O ATOM 1095 CB ASP C 73 67.264 -6.565 -0.089 1.00 0.00 C ATOM 1096 CG ASP C 73 68.709 -6.117 -0.281 1.00 0.00 C ATOM 1097 OD1 ASP C 73 68.910 -5.070 -0.873 1.00 0.00 O ATOM 1098 OD2 ASP C 73 69.593 -6.829 0.167 1.00 0.00 O ATOM 0 H ASP C 73 66.175 -4.702 1.798 1.00 0.00 H new ATOM 0 HA ASP C 73 66.503 -4.842 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.149 -7.045 0.883 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.001 -7.306 -0.844 1.00 0.00 H new ATOM 1103 N PHE C 74 64.510 -6.675 -1.118 1.00 0.00 N ATOM 1104 CA PHE C 74 63.150 -7.197 -1.186 1.00 0.00 C ATOM 1105 C PHE C 74 62.757 -7.840 0.140 1.00 0.00 C ATOM 1106 O PHE C 74 61.572 -7.980 0.446 1.00 0.00 O ATOM 1107 CB PHE C 74 63.044 -8.231 -2.308 1.00 0.00 C ATOM 1108 CG PHE C 74 63.990 -9.375 -2.031 1.00 0.00 C ATOM 1109 CD1 PHE C 74 65.331 -9.285 -2.424 1.00 0.00 C ATOM 1110 CD2 PHE C 74 63.527 -10.525 -1.382 1.00 0.00 C ATOM 1111 CE1 PHE C 74 66.208 -10.345 -2.167 1.00 0.00 C ATOM 1112 CE2 PHE C 74 64.404 -11.586 -1.125 1.00 0.00 C ATOM 1113 CZ PHE C 74 65.745 -11.496 -1.518 1.00 0.00 C ATOM 0 H PHE C 74 65.130 -7.005 -1.858 1.00 0.00 H new ATOM 0 HA PHE C 74 62.472 -6.369 -1.390 1.00 0.00 H new ATOM 0 HB2 PHE C 74 62.021 -8.601 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.285 -7.770 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE C 74 65.688 -8.398 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE C 74 62.493 -10.594 -1.079 1.00 0.00 H new ATOM 0 HE1 PHE C 74 67.242 -10.275 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE C 74 64.046 -12.473 -0.624 1.00 0.00 H new ATOM 0 HZ PHE C 74 66.422 -12.314 -1.321 1.00 0.00 H new ATOM 1123 N ASP C 75 63.757 -8.229 0.924 1.00 0.00 N ATOM 1124 CA ASP C 75 63.503 -8.856 2.216 1.00 0.00 C ATOM 1125 C ASP C 75 63.155 -7.803 3.263 1.00 0.00 C ATOM 1126 O ASP C 75 62.169 -7.935 3.987 1.00 0.00 O ATOM 1127 CB ASP C 75 64.736 -9.640 2.668 1.00 0.00 C ATOM 1128 CG ASP C 75 64.426 -10.408 3.948 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.270 -10.426 4.339 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.348 -10.967 4.519 1.00 0.00 O ATOM 0 H ASP C 75 64.744 -8.122 0.690 1.00 0.00 H new ATOM 0 HA ASP C 75 62.659 -9.538 2.108 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.044 -10.332 1.884 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.569 -8.958 2.836 1.00 0.00 H new ATOM 1135 N GLU C 76 63.973 -6.757 3.338 1.00 0.00 N ATOM 1136 CA GLU C 76 63.742 -5.687 4.301 1.00 0.00 C ATOM 1137 C GLU C 76 62.650 -4.745 3.804 1.00 0.00 C ATOM 1138 O GLU C 76 61.766 -4.348 4.564 1.00 0.00 O ATOM 1139 CB GLU C 76 65.034 -4.899 4.527 1.00 0.00 C ATOM 1140 CG GLU C 76 66.109 -5.831 5.090 1.00 0.00 C ATOM 1141 CD GLU C 76 67.433 -5.085 5.215 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.466 -3.916 4.866 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.394 -5.693 5.657 1.00 0.00 O ATOM 0 H GLU C 76 64.795 -6.628 2.748 1.00 0.00 H new ATOM 0 HA GLU C 76 63.420 -6.134 5.242 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.373 -4.460 3.589 1.00 0.00 H new ATOM 0 HB3 GLU C 76 64.854 -4.075 5.218 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.801 -6.208 6.065 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.230 -6.696 4.438 1.00 0.00 H new ATOM 1150 N PHE C 77 62.718 -4.392 2.525 1.00 0.00 N ATOM 1151 CA PHE C 77 61.729 -3.496 1.937 1.00 0.00 C ATOM 1152 C PHE C 77 60.317 -4.016 2.189 1.00 0.00 C ATOM 1153 O PHE C 77 59.486 -3.324 2.777 1.00 0.00 O ATOM 1154 CB PHE C 77 61.967 -3.371 0.431 1.00 0.00 C ATOM 1155 CG PHE C 77 61.086 -2.281 -0.130 1.00 0.00 C ATOM 1156 CD1 PHE C 77 61.181 -0.977 0.371 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.173 -2.574 -1.150 1.00 0.00 C ATOM 1158 CE1 PHE C 77 60.363 0.034 -0.149 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.356 -1.564 -1.670 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.451 -0.260 -1.170 1.00 0.00 C ATOM 0 H PHE C 77 63.441 -4.710 1.880 1.00 0.00 H new ATOM 0 HA PHE C 77 61.832 -2.516 2.404 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.015 -3.143 0.236 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.750 -4.319 -0.062 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.885 -0.751 1.158 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.099 -3.580 -1.536 1.00 0.00 H new ATOM 0 HE1 PHE C 77 60.436 1.040 0.237 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.652 -1.791 -2.457 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.821 0.520 -1.572 1.00 0.00 H new ATOM 1170 N LEU C 78 60.054 -5.239 1.740 1.00 0.00 N ATOM 1171 CA LEU C 78 58.739 -5.842 1.923 1.00 0.00 C ATOM 1172 C LEU C 78 58.190 -5.521 3.309 1.00 0.00 C ATOM 1173 O LEU C 78 57.132 -4.906 3.441 1.00 0.00 O ATOM 1174 CB LEU C 78 58.831 -7.359 1.748 1.00 0.00 C ATOM 1175 CG LEU C 78 57.457 -7.915 1.373 1.00 0.00 C ATOM 1176 CD1 LEU C 78 56.394 -7.314 2.295 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.138 -7.548 -0.078 1.00 0.00 C ATOM 0 H LEU C 78 60.728 -5.828 1.251 1.00 0.00 H new ATOM 0 HA LEU C 78 58.064 -5.430 1.173 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.557 -7.603 0.973 1.00 0.00 H new ATOM 0 HB3 LEU C 78 59.182 -7.821 2.670 1.00 0.00 H new ATOM 0 HG LEU C 78 57.462 -9.000 1.482 1.00 0.00 H new ATOM 0 HD11 LEU C 78 55.414 -7.710 2.028 1.00 0.00 H new ATOM 0 HD12 LEU C 78 56.621 -7.573 3.329 1.00 0.00 H new ATOM 0 HD13 LEU C 78 56.389 -6.229 2.186 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.159 -7.944 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU C 78 57.133 -6.463 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.895 -7.975 -0.736 1.00 0.00 H new ATOM 1189 N VAL C 79 58.916 -5.941 4.340 1.00 0.00 N ATOM 1190 CA VAL C 79 58.492 -5.691 5.713 1.00 0.00 C ATOM 1191 C VAL C 79 58.142 -4.219 5.907 1.00 0.00 C ATOM 1192 O VAL C 79 57.121 -3.888 6.509 1.00 0.00 O ATOM 1193 CB VAL C 79 59.606 -6.085 6.683 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.217 -5.672 8.104 1.00 0.00 C ATOM 1195 CG2 VAL C 79 59.813 -7.600 6.633 1.00 0.00 C ATOM 0 H VAL C 79 59.794 -6.452 4.252 1.00 0.00 H new ATOM 0 HA VAL C 79 57.606 -6.292 5.915 1.00 0.00 H new ATOM 0 HB VAL C 79 60.530 -5.581 6.398 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.012 -5.953 8.795 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.069 -4.593 8.141 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.293 -6.175 8.389 1.00 0.00 H new ATOM 0 HG21 VAL C 79 60.607 -7.882 7.324 1.00 0.00 H new ATOM 0 HG22 VAL C 79 58.889 -8.103 6.917 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.091 -7.896 5.621 1.00 0.00 H new ATOM 1205 N MET C 80 58.996 -3.341 5.393 1.00 0.00 N ATOM 1206 CA MET C 80 58.767 -1.906 5.515 1.00 0.00 C ATOM 1207 C MET C 80 57.334 -1.557 5.127 1.00 0.00 C ATOM 1208 O MET C 80 56.815 -0.508 5.509 1.00 0.00 O ATOM 1209 CB MET C 80 59.741 -1.142 4.616 1.00 0.00 C ATOM 1210 CG MET C 80 59.712 0.344 4.977 1.00 0.00 C ATOM 1211 SD MET C 80 59.722 1.334 3.461 1.00 0.00 S ATOM 1212 CE MET C 80 59.852 2.957 4.251 1.00 0.00 C ATOM 0 H MET C 80 59.847 -3.595 4.891 1.00 0.00 H new ATOM 0 HA MET C 80 58.931 -1.619 6.554 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.750 -1.537 4.737 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.469 -1.278 3.569 1.00 0.00 H new ATOM 0 HG2 MET C 80 58.822 0.569 5.565 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.574 0.596 5.594 1.00 0.00 H new ATOM 0 HE1 MET C 80 59.875 3.733 3.486 1.00 0.00 H new ATOM 0 HE2 MET C 80 58.992 3.114 4.903 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.767 3.002 4.841 1.00 0.00 H new ATOM 1222 N MET C 81 56.699 -2.444 4.367 1.00 0.00 N ATOM 1223 CA MET C 81 55.325 -2.219 3.934 1.00 0.00 C ATOM 1224 C MET C 81 54.342 -2.778 4.958 1.00 0.00 C ATOM 1225 O MET C 81 53.376 -2.113 5.332 1.00 0.00 O ATOM 1226 CB MET C 81 55.089 -2.889 2.579 1.00 0.00 C ATOM 1227 CG MET C 81 55.612 -1.983 1.463 1.00 0.00 C ATOM 1228 SD MET C 81 57.067 -1.081 2.051 1.00 0.00 S ATOM 1229 CE MET C 81 56.374 0.585 1.909 1.00 0.00 C ATOM 0 H MET C 81 57.110 -3.318 4.041 1.00 0.00 H new ATOM 0 HA MET C 81 55.164 -1.145 3.842 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.595 -3.854 2.546 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.026 -3.082 2.437 1.00 0.00 H new ATOM 0 HG2 MET C 81 55.869 -2.578 0.587 1.00 0.00 H new ATOM 0 HG3 MET C 81 54.836 -1.282 1.155 1.00 0.00 H new ATOM 0 HE1 MET C 81 57.181 1.304 1.769 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.699 0.627 1.054 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.824 0.829 2.818 1.00 0.00 H new ATOM 1239 N VAL C 82 54.595 -4.003 5.406 1.00 0.00 N ATOM 1240 CA VAL C 82 53.725 -4.641 6.387 1.00 0.00 C ATOM 1241 C VAL C 82 53.621 -3.787 7.647 1.00 0.00 C ATOM 1242 O VAL C 82 52.538 -3.622 8.208 1.00 0.00 O ATOM 1243 CB VAL C 82 54.272 -6.023 6.749 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.355 -6.681 7.782 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.328 -6.893 5.492 1.00 0.00 C ATOM 0 H VAL C 82 55.389 -4.570 5.108 1.00 0.00 H new ATOM 0 HA VAL C 82 52.732 -4.746 5.950 1.00 0.00 H new ATOM 0 HB VAL C 82 55.274 -5.919 7.166 1.00 0.00 H new ATOM 0 HG11 VAL C 82 53.745 -7.666 8.040 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.313 -6.062 8.678 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.353 -6.785 7.365 1.00 0.00 H new ATOM 0 HG21 VAL C 82 54.718 -7.878 5.748 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.326 -6.996 5.076 1.00 0.00 H new ATOM 0 HG23 VAL C 82 54.981 -6.425 4.755 1.00 0.00 H new ATOM 1255 N ARG C 83 54.754 -3.248 8.086 1.00 0.00 N ATOM 1256 CA ARG C 83 54.778 -2.413 9.281 1.00 0.00 C ATOM 1257 C ARG C 83 53.827 -1.230 9.127 1.00 0.00 C ATOM 1258 O ARG C 83 53.243 -0.759 10.103 1.00 0.00 O ATOM 1259 CB ARG C 83 56.197 -1.900 9.531 1.00 0.00 C ATOM 1260 CG ARG C 83 56.257 -1.204 10.893 1.00 0.00 C ATOM 1261 CD ARG C 83 56.472 -2.248 11.990 1.00 0.00 C ATOM 1262 NE ARG C 83 56.553 -1.600 13.294 1.00 0.00 N ATOM 1263 CZ ARG C 83 57.606 -0.861 13.629 1.00 0.00 C ATOM 1264 NH1 ARG C 83 58.590 -0.706 12.786 1.00 0.00 N ATOM 1265 NH2 ARG C 83 57.656 -0.291 14.802 1.00 0.00 N ATOM 0 H ARG C 83 55.661 -3.373 7.636 1.00 0.00 H new ATOM 0 HA ARG C 83 54.455 -3.016 10.130 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.905 -2.729 9.503 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.488 -1.205 8.743 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.068 -0.475 10.906 1.00 0.00 H new ATOM 0 HG3 ARG C 83 55.333 -0.656 11.074 1.00 0.00 H new ATOM 0 HD2 ARG C 83 55.653 -2.967 11.983 1.00 0.00 H new ATOM 0 HD3 ARG C 83 57.388 -2.807 11.796 1.00 0.00 H new ATOM 0 HE ARG C 83 55.789 -1.716 13.960 1.00 0.00 H new ATOM 0 HH11 ARG C 83 58.551 -1.152 11.869 1.00 0.00 H new ATOM 0 HH12 ARG C 83 59.398 -0.139 13.044 1.00 0.00 H new ATOM 0 HH21 ARG C 83 56.887 -0.413 15.461 1.00 0.00 H new ATOM 0 HH22 ARG C 83 58.464 0.276 15.059 1.00 0.00 H new ATOM 1279 N CYS C 84 53.676 -0.755 7.895 1.00 0.00 N ATOM 1280 CA CYS C 84 52.793 0.374 7.625 1.00 0.00 C ATOM 1281 C CYS C 84 51.566 -0.081 6.842 1.00 0.00 C ATOM 1282 O CYS C 84 51.171 0.555 5.864 1.00 0.00 O ATOM 1283 CB CYS C 84 53.542 1.444 6.829 1.00 0.00 C ATOM 1284 SG CYS C 84 54.483 0.657 5.498 1.00 0.00 S ATOM 0 H CYS C 84 54.150 -1.131 7.073 1.00 0.00 H new ATOM 0 HA CYS C 84 52.467 0.792 8.577 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.837 2.164 6.414 1.00 0.00 H new ATOM 0 HB3 CYS C 84 54.213 1.998 7.485 1.00 0.00 H new ATOM 0 HG CYS C 84 55.635 0.263 5.955 1.00 0.00 H new ATOM 1290 N MET C 85 50.967 -1.184 7.278 1.00 0.00 N ATOM 1291 CA MET C 85 49.785 -1.715 6.609 1.00 0.00 C ATOM 1292 C MET C 85 48.634 -0.717 6.684 1.00 0.00 C ATOM 1293 O MET C 85 48.305 -0.058 5.698 1.00 0.00 O ATOM 1294 CB MET C 85 49.364 -3.033 7.261 1.00 0.00 C ATOM 1295 CG MET C 85 48.314 -3.723 6.387 1.00 0.00 C ATOM 1296 SD MET C 85 49.088 -5.081 5.474 1.00 0.00 S ATOM 1297 CE MET C 85 48.145 -4.890 3.942 1.00 0.00 C ATOM 0 H MET C 85 51.278 -1.724 8.086 1.00 0.00 H new ATOM 0 HA MET C 85 50.031 -1.891 5.562 1.00 0.00 H new ATOM 0 HB2 MET C 85 50.231 -3.682 7.387 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.959 -2.846 8.255 1.00 0.00 H new ATOM 0 HG2 MET C 85 47.502 -4.103 7.007 1.00 0.00 H new ATOM 0 HG3 MET C 85 47.876 -3.007 5.692 1.00 0.00 H new ATOM 0 HE1 MET C 85 48.466 -5.642 3.221 1.00 0.00 H new ATOM 0 HE2 MET C 85 47.083 -5.017 4.150 1.00 0.00 H new ATOM 0 HE3 MET C 85 48.318 -3.896 3.530 1.00 0.00 H new ATOM 1307 N LYS C 86 48.025 -0.611 7.861 1.00 0.00 N ATOM 1308 CA LYS C 86 46.910 0.310 8.053 1.00 0.00 C ATOM 1309 C LYS C 86 47.080 1.092 9.352 1.00 0.00 C ATOM 1310 O LYS C 86 47.594 0.568 10.340 1.00 0.00 O ATOM 1311 CB LYS C 86 45.592 -0.465 8.090 1.00 0.00 C ATOM 1312 CG LYS C 86 45.341 -1.111 6.726 1.00 0.00 C ATOM 1313 CD LYS C 86 43.941 -1.728 6.702 1.00 0.00 C ATOM 1314 CE LYS C 86 43.758 -2.532 5.413 1.00 0.00 C ATOM 1315 NZ LYS C 86 44.610 -3.754 5.465 1.00 0.00 N ATOM 0 H LYS C 86 48.282 -1.147 8.690 1.00 0.00 H new ATOM 0 HA LYS C 86 46.894 1.011 7.219 1.00 0.00 H new ATOM 0 HB2 LYS C 86 45.630 -1.230 8.865 1.00 0.00 H new ATOM 0 HB3 LYS C 86 44.771 0.205 8.343 1.00 0.00 H new ATOM 0 HG2 LYS C 86 45.435 -0.366 5.936 1.00 0.00 H new ATOM 0 HG3 LYS C 86 46.091 -1.878 6.532 1.00 0.00 H new ATOM 0 HD2 LYS C 86 43.802 -2.374 7.569 1.00 0.00 H new ATOM 0 HD3 LYS C 86 43.186 -0.944 6.764 1.00 0.00 H new ATOM 0 HE2 LYS C 86 42.711 -2.810 5.291 1.00 0.00 H new ATOM 0 HE3 LYS C 86 44.029 -1.923 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 44.243 -4.461 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 45.587 -3.507 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 44.595 -4.147 6.428 1.00 0.00 H new ATOM 1329 N ASP C 87 46.643 2.347 9.342 1.00 0.00 N ATOM 1330 CA ASP C 87 46.751 3.192 10.526 1.00 0.00 C ATOM 1331 C ASP C 87 45.516 3.039 11.408 1.00 0.00 C ATOM 1332 O ASP C 87 44.403 3.365 10.996 1.00 0.00 O ATOM 1333 CB ASP C 87 46.906 4.656 10.110 1.00 0.00 C ATOM 1334 CG ASP C 87 47.251 5.509 11.326 1.00 0.00 C ATOM 1335 OD1 ASP C 87 47.463 4.940 12.384 1.00 0.00 O ATOM 1336 OD2 ASP C 87 47.297 6.720 11.181 1.00 0.00 O ATOM 0 H ASP C 87 46.214 2.799 8.534 1.00 0.00 H new ATOM 0 HA ASP C 87 47.629 2.881 11.093 1.00 0.00 H new ATOM 0 HB2 ASP C 87 47.689 4.748 9.357 1.00 0.00 H new ATOM 0 HB3 ASP C 87 45.982 5.013 9.655 1.00 0.00 H new ATOM 1341 N ASP C 88 45.721 2.542 12.623 1.00 0.00 N ATOM 1342 CA ASP C 88 44.616 2.351 13.556 1.00 0.00 C ATOM 1343 C ASP C 88 45.113 2.413 14.996 1.00 0.00 C ATOM 1344 O ASP C 88 44.626 1.688 15.863 1.00 0.00 O ATOM 1345 CB ASP C 88 43.947 0.999 13.303 1.00 0.00 C ATOM 1346 CG ASP C 88 43.366 0.960 11.894 1.00 0.00 C ATOM 1347 OD1 ASP C 88 42.695 1.910 11.525 1.00 0.00 O ATOM 1348 OD2 ASP C 88 43.599 -0.019 11.204 1.00 0.00 O ATOM 0 H ASP C 88 46.635 2.266 12.983 1.00 0.00 H new ATOM 0 HA ASP C 88 43.891 3.150 13.400 1.00 0.00 H new ATOM 0 HB2 ASP C 88 44.673 0.196 13.428 1.00 0.00 H new ATOM 0 HB3 ASP C 88 43.157 0.832 14.036 1.00 0.00 H new ATOM 1353 N SER C 89 46.086 3.285 15.244 1.00 0.00 N ATOM 1354 CA SER C 89 46.642 3.433 16.584 1.00 0.00 C ATOM 1355 C SER C 89 46.000 4.615 17.303 1.00 0.00 C ATOM 1356 O SER C 89 45.579 4.437 18.434 1.00 0.00 O ATOM 1357 CB SER C 89 48.154 3.645 16.501 1.00 0.00 C ATOM 1358 OG SER C 89 48.466 4.336 15.299 1.00 0.00 O ATOM 1359 OXT SER C 89 45.937 5.680 16.711 1.00 0.00 O ATOM 0 H SER C 89 46.503 3.895 14.541 1.00 0.00 H new ATOM 0 HA SER C 89 46.433 2.523 17.146 1.00 0.00 H new ATOM 0 HB2 SER C 89 48.501 4.216 17.363 1.00 0.00 H new ATOM 0 HB3 SER C 89 48.669 2.685 16.526 1.00 0.00 H new ATOM 0 HG SER C 89 49.435 4.475 15.243 1.00 0.00 H new ATOM 1430 N ASP I 119 49.920 3.406 2.175 1.00 0.00 N ATOM 1431 CA ASP I 119 48.813 3.775 1.301 1.00 0.00 C ATOM 1432 C ASP I 119 49.128 5.068 0.555 1.00 0.00 C ATOM 1433 O ASP I 119 48.911 5.169 -0.652 1.00 0.00 O ATOM 1434 CB ASP I 119 47.536 3.956 2.123 1.00 0.00 C ATOM 1435 CG ASP I 119 47.120 2.625 2.740 1.00 0.00 C ATOM 1436 OD1 ASP I 119 47.651 1.609 2.321 1.00 0.00 O ATOM 1437 OD2 ASP I 119 46.277 2.640 3.621 1.00 0.00 O ATOM 0 HA ASP I 119 48.666 2.976 0.574 1.00 0.00 H new ATOM 0 HB2 ASP I 119 47.700 4.694 2.908 1.00 0.00 H new ATOM 0 HB3 ASP I 119 46.736 4.338 1.488 1.00 0.00 H new ATOM 1442 N ALA I 120 49.640 6.056 1.283 1.00 0.00 N ATOM 1443 CA ALA I 120 49.981 7.339 0.680 1.00 0.00 C ATOM 1444 C ALA I 120 51.139 7.179 -0.299 1.00 0.00 C ATOM 1445 O ALA I 120 51.169 7.820 -1.350 1.00 0.00 O ATOM 1446 CB ALA I 120 50.365 8.342 1.769 1.00 0.00 C ATOM 0 H ALA I 120 49.827 5.993 2.284 1.00 0.00 H new ATOM 0 HA ALA I 120 49.110 7.708 0.138 1.00 0.00 H new ATOM 0 HB1 ALA I 120 50.618 9.298 1.310 1.00 0.00 H new ATOM 0 HB2 ALA I 120 49.526 8.478 2.451 1.00 0.00 H new ATOM 0 HB3 ALA I 120 51.225 7.966 2.323 1.00 0.00 H new ATOM 1452 N MET I 121 52.091 6.321 0.053 1.00 0.00 N ATOM 1453 CA MET I 121 53.248 6.085 -0.803 1.00 0.00 C ATOM 1454 C MET I 121 52.822 5.418 -2.107 1.00 0.00 C ATOM 1455 O MET I 121 53.546 5.459 -3.102 1.00 0.00 O ATOM 1456 CB MET I 121 54.260 5.195 -0.080 1.00 0.00 C ATOM 1457 CG MET I 121 55.567 5.156 -0.875 1.00 0.00 C ATOM 1458 SD MET I 121 56.541 3.719 -0.365 1.00 0.00 S ATOM 1459 CE MET I 121 55.485 2.453 -1.110 1.00 0.00 C ATOM 0 H MET I 121 52.085 5.781 0.918 1.00 0.00 H new ATOM 0 HA MET I 121 53.708 7.046 -1.033 1.00 0.00 H new ATOM 0 HB2 MET I 121 54.444 5.577 0.924 1.00 0.00 H new ATOM 0 HB3 MET I 121 53.860 4.187 0.031 1.00 0.00 H new ATOM 0 HG2 MET I 121 55.354 5.104 -1.943 1.00 0.00 H new ATOM 0 HG3 MET I 121 56.134 6.071 -0.707 1.00 0.00 H new ATOM 0 HE1 MET I 121 56.059 1.537 -1.249 1.00 0.00 H new ATOM 0 HE2 MET I 121 54.637 2.254 -0.454 1.00 0.00 H new ATOM 0 HE3 MET I 121 55.122 2.804 -2.076 1.00 0.00 H new ATOM 1469 N LEU I 122 51.643 4.805 -2.095 1.00 0.00 N ATOM 1470 CA LEU I 122 51.131 4.132 -3.283 1.00 0.00 C ATOM 1471 C LEU I 122 50.322 5.101 -4.140 1.00 0.00 C ATOM 1472 O LEU I 122 50.203 4.921 -5.352 1.00 0.00 O ATOM 1473 CB LEU I 122 50.248 2.951 -2.875 1.00 0.00 C ATOM 1474 CG LEU I 122 51.131 1.754 -2.515 1.00 0.00 C ATOM 1475 CD1 LEU I 122 52.504 2.251 -2.061 1.00 0.00 C ATOM 1476 CD2 LEU I 122 50.476 0.961 -1.382 1.00 0.00 C ATOM 0 H LEU I 122 51.028 4.760 -1.282 1.00 0.00 H new ATOM 0 HA LEU I 122 51.978 3.768 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU I 122 49.625 3.226 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU I 122 49.575 2.688 -3.691 1.00 0.00 H new ATOM 0 HG LEU I 122 51.248 1.113 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU I 122 53.133 1.399 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU I 122 52.971 2.817 -2.867 1.00 0.00 H new ATOM 0 HD13 LEU I 122 52.388 2.892 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU I 122 51.104 0.108 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU I 122 50.360 1.603 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU I 122 49.497 0.607 -1.705 1.00 0.00 H new