USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 778 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 1 MET CE :methyl -156:sc= -0.281 (180deg=-1.07) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.64 (180deg=-3.13!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -169:sc= 0 (180deg=-0.104) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 30:sc= -0.207 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.516 K(o=-0.52,f=-1.6) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00529 USER MOD Single : A 25 GLN : amide:sc= -1.17 K(o=-1.2,f=-5.8!) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -1.23 (180deg=-1.38) USER MOD Single : A 50 ASN : amide:sc= -0.0982 K(o=-0.098,f=-5.9!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.168 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0716 K(o=-0.072,f=-0.67) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -159:sc= -0.138 (180deg=-0.762) USER MOD Single : A 64 SER OG : rot -26:sc= 0.907 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 140:sc= -0.172 (180deg=-0.753) USER MOD Single : A 70 ASN : amide:sc= -2.97 K(o=-3,f=-14!) USER MOD Single : A 79 GLN :FLIP amide:sc= -1.02 F(o=-1.8!,f=-1) USER MOD Single : A 83 MET CE :methyl 163:sc= -0.149 (180deg=-0.591) USER MOD Single : A 88 GLN : amide:sc= -1.25 K(o=-1.3,f=-1.8) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.776 -9.266 9.502 1.00 0.00 N ATOM 2 CA MET A 1 49.854 -10.084 8.887 1.00 0.00 C ATOM 3 C MET A 1 50.033 -11.406 9.636 1.00 0.00 C ATOM 4 O MET A 1 51.072 -11.646 10.252 1.00 0.00 O ATOM 5 CB MET A 1 51.173 -9.302 8.873 1.00 0.00 C ATOM 6 CG MET A 1 51.577 -8.739 10.229 1.00 0.00 C ATOM 7 SD MET A 1 50.581 -7.319 10.726 1.00 0.00 S ATOM 8 CE MET A 1 50.954 -6.158 9.412 1.00 0.00 C ATOM 0 H1 MET A 1 48.006 -9.134 8.816 1.00 0.00 H new ATOM 0 H2 MET A 1 48.409 -9.752 10.345 1.00 0.00 H new ATOM 0 H3 MET A 1 49.158 -8.338 9.776 1.00 0.00 H new ATOM 0 HA MET A 1 49.565 -10.309 7.860 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.967 -9.956 8.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 51.088 -8.481 8.161 1.00 0.00 H new ATOM 0 HG2 MET A 1 51.487 -9.521 10.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 52.627 -8.447 10.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.785 -5.141 9.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.996 -6.270 9.113 1.00 0.00 H new ATOM 0 HE3 MET A 1 50.308 -6.356 8.557 1.00 0.00 H new ATOM 20 N PRO A 2 49.017 -12.291 9.585 1.00 0.00 N ATOM 21 CA PRO A 2 49.067 -13.589 10.262 1.00 0.00 C ATOM 22 C PRO A 2 49.874 -14.623 9.483 1.00 0.00 C ATOM 23 O PRO A 2 49.596 -14.888 8.313 1.00 0.00 O ATOM 24 CB PRO A 2 47.596 -13.994 10.324 1.00 0.00 C ATOM 25 CG PRO A 2 46.993 -13.383 9.107 1.00 0.00 C ATOM 26 CD PRO A 2 47.740 -12.097 8.866 1.00 0.00 C ATOM 0 HA PRO A 2 49.556 -13.530 11.234 1.00 0.00 H new ATOM 0 HB2 PRO A 2 47.482 -15.078 10.323 1.00 0.00 H new ATOM 0 HB3 PRO A 2 47.120 -13.624 11.232 1.00 0.00 H new ATOM 0 HG2 PRO A 2 47.083 -14.051 8.251 1.00 0.00 H new ATOM 0 HG3 PRO A 2 45.930 -13.194 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 2 47.902 -11.922 7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 2 47.191 -11.237 9.250 1.00 0.00 H new ATOM 34 N PHE A 3 50.874 -15.205 10.139 1.00 0.00 N ATOM 35 CA PHE A 3 51.721 -16.213 9.509 1.00 0.00 C ATOM 36 C PHE A 3 50.931 -17.486 9.219 1.00 0.00 C ATOM 37 O PHE A 3 51.324 -18.291 8.375 1.00 0.00 O ATOM 38 CB PHE A 3 52.921 -16.535 10.403 1.00 0.00 C ATOM 39 CG PHE A 3 53.895 -15.397 10.538 1.00 0.00 C ATOM 40 CD1 PHE A 3 54.946 -15.259 9.646 1.00 0.00 C ATOM 41 CD2 PHE A 3 53.758 -14.470 11.558 1.00 0.00 C ATOM 42 CE1 PHE A 3 55.843 -14.215 9.769 1.00 0.00 C ATOM 43 CE2 PHE A 3 54.653 -13.423 11.685 1.00 0.00 C ATOM 44 CZ PHE A 3 55.696 -13.295 10.790 1.00 0.00 C ATOM 0 H PHE A 3 51.118 -14.996 11.107 1.00 0.00 H new ATOM 0 HA PHE A 3 52.081 -15.808 8.563 1.00 0.00 H new ATOM 0 HB2 PHE A 3 52.561 -16.813 11.393 1.00 0.00 H new ATOM 0 HB3 PHE A 3 53.443 -17.402 9.998 1.00 0.00 H new ATOM 0 HD1 PHE A 3 55.066 -15.975 8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 3 52.944 -14.566 12.261 1.00 0.00 H new ATOM 0 HE1 PHE A 3 56.659 -14.118 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 3 54.536 -12.706 12.484 1.00 0.00 H new ATOM 0 HZ PHE A 3 56.396 -12.478 10.887 1.00 0.00 H new ATOM 54 N HIS A 4 49.818 -17.662 9.925 1.00 0.00 N ATOM 55 CA HIS A 4 48.973 -18.838 9.741 1.00 0.00 C ATOM 56 C HIS A 4 47.808 -18.529 8.800 1.00 0.00 C ATOM 57 O HIS A 4 47.255 -17.429 8.831 1.00 0.00 O ATOM 58 CB HIS A 4 48.440 -19.324 11.090 1.00 0.00 C ATOM 59 CG HIS A 4 49.516 -19.630 12.086 1.00 0.00 C ATOM 60 ND1 HIS A 4 49.546 -19.085 13.354 1.00 0.00 N ATOM 61 CD2 HIS A 4 50.602 -20.434 12.000 1.00 0.00 C ATOM 62 CE1 HIS A 4 50.604 -19.539 14.001 1.00 0.00 C ATOM 63 NE2 HIS A 4 51.261 -20.360 13.202 1.00 0.00 N ATOM 0 H HIS A 4 49.480 -17.006 10.629 1.00 0.00 H new ATOM 0 HA HIS A 4 49.579 -19.625 9.293 1.00 0.00 H new ATOM 0 HB2 HIS A 4 47.778 -18.564 11.505 1.00 0.00 H new ATOM 0 HB3 HIS A 4 47.838 -20.219 10.932 1.00 0.00 H new ATOM 0 HD2 HIS A 4 50.895 -21.024 11.144 1.00 0.00 H new ATOM 0 HE1 HIS A 4 50.884 -19.282 15.012 1.00 0.00 H new ATOM 0 HE2 HIS A 4 52.119 -20.858 13.439 1.00 0.00 H new ATOM 72 N PRO A 5 47.415 -19.498 7.949 1.00 0.00 N ATOM 73 CA PRO A 5 46.315 -19.314 6.999 1.00 0.00 C ATOM 74 C PRO A 5 44.947 -19.429 7.663 1.00 0.00 C ATOM 75 O PRO A 5 44.574 -20.492 8.160 1.00 0.00 O ATOM 76 CB PRO A 5 46.526 -20.453 6.004 1.00 0.00 C ATOM 77 CG PRO A 5 47.166 -21.535 6.803 1.00 0.00 C ATOM 78 CD PRO A 5 48.010 -20.847 7.846 1.00 0.00 C ATOM 0 HA PRO A 5 46.323 -18.322 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 5 45.581 -20.784 5.574 1.00 0.00 H new ATOM 0 HB3 PRO A 5 47.162 -20.143 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 5 46.414 -22.171 7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 5 47.778 -22.177 6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 5 47.975 -21.373 8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 5 49.057 -20.800 7.546 1.00 0.00 H new ATOM 86 N VAL A 6 44.204 -18.328 7.667 1.00 0.00 N ATOM 87 CA VAL A 6 42.876 -18.303 8.267 1.00 0.00 C ATOM 88 C VAL A 6 41.819 -17.878 7.254 1.00 0.00 C ATOM 89 O VAL A 6 40.629 -17.834 7.566 1.00 0.00 O ATOM 90 CB VAL A 6 42.822 -17.349 9.476 1.00 0.00 C ATOM 91 CG1 VAL A 6 43.729 -17.846 10.592 1.00 0.00 C ATOM 92 CG2 VAL A 6 43.207 -15.938 9.059 1.00 0.00 C ATOM 0 H VAL A 6 44.500 -17.440 7.261 1.00 0.00 H new ATOM 0 HA VAL A 6 42.665 -19.318 8.603 1.00 0.00 H new ATOM 0 HB VAL A 6 41.799 -17.328 9.852 1.00 0.00 H new ATOM 0 HG11 VAL A 6 43.677 -17.159 11.436 1.00 0.00 H new ATOM 0 HG12 VAL A 6 43.405 -18.837 10.910 1.00 0.00 H new ATOM 0 HG13 VAL A 6 44.756 -17.899 10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 6 43.163 -15.278 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 6 44.220 -15.941 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 6 42.514 -15.582 8.296 1.00 0.00 H new ATOM 102 N THR A 7 42.259 -17.566 6.039 1.00 0.00 N ATOM 103 CA THR A 7 41.348 -17.140 4.984 1.00 0.00 C ATOM 104 C THR A 7 41.683 -17.817 3.659 1.00 0.00 C ATOM 105 O THR A 7 42.849 -17.906 3.274 1.00 0.00 O ATOM 106 CB THR A 7 41.386 -15.611 4.793 1.00 0.00 C ATOM 107 OG1 THR A 7 41.120 -14.954 6.037 1.00 0.00 O ATOM 108 CG2 THR A 7 40.365 -15.169 3.754 1.00 0.00 C ATOM 0 H THR A 7 43.240 -17.600 5.761 1.00 0.00 H new ATOM 0 HA THR A 7 40.346 -17.435 5.294 1.00 0.00 H new ATOM 0 HB THR A 7 42.381 -15.337 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 7 41.148 -13.983 5.907 1.00 0.00 H new ATOM 0 HG21 THR A 7 40.411 -14.086 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 7 40.587 -15.647 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 7 39.366 -15.457 4.081 1.00 0.00 H new ATOM 116 N ALA A 8 40.651 -18.291 2.967 1.00 0.00 N ATOM 117 CA ALA A 8 40.832 -18.957 1.682 1.00 0.00 C ATOM 118 C ALA A 8 40.947 -17.944 0.550 1.00 0.00 C ATOM 119 O ALA A 8 40.079 -17.088 0.380 1.00 0.00 O ATOM 120 CB ALA A 8 39.681 -19.916 1.419 1.00 0.00 C ATOM 0 H ALA A 8 39.681 -18.226 3.275 1.00 0.00 H new ATOM 0 HA ALA A 8 41.762 -19.524 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 8 39.829 -20.406 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 8 39.646 -20.668 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 38.742 -19.362 1.404 1.00 0.00 H new ATOM 126 N ALA A 9 42.024 -18.046 -0.222 1.00 0.00 N ATOM 127 CA ALA A 9 42.251 -17.139 -1.340 1.00 0.00 C ATOM 128 C ALA A 9 41.392 -17.524 -2.539 1.00 0.00 C ATOM 129 O ALA A 9 41.354 -16.813 -3.543 1.00 0.00 O ATOM 130 CB ALA A 9 43.724 -17.131 -1.721 1.00 0.00 C ATOM 0 H ALA A 9 42.753 -18.748 -0.093 1.00 0.00 H new ATOM 0 HA ALA A 9 41.964 -16.135 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 9 43.880 -16.450 -2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 9 44.318 -16.802 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 9 44.030 -18.136 -2.010 1.00 0.00 H new ATOM 136 N LEU A 10 40.702 -18.657 -2.428 1.00 0.00 N ATOM 137 CA LEU A 10 39.839 -19.137 -3.502 1.00 0.00 C ATOM 138 C LEU A 10 38.683 -18.171 -3.737 1.00 0.00 C ATOM 139 O LEU A 10 38.564 -17.582 -4.812 1.00 0.00 O ATOM 140 CB LEU A 10 39.297 -20.533 -3.174 1.00 0.00 C ATOM 141 CG LEU A 10 40.304 -21.684 -3.297 1.00 0.00 C ATOM 142 CD1 LEU A 10 40.888 -21.743 -4.702 1.00 0.00 C ATOM 143 CD2 LEU A 10 41.411 -21.548 -2.262 1.00 0.00 C ATOM 0 H LEU A 10 40.724 -19.259 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 10 40.434 -19.196 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 10 38.909 -20.522 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 10 38.455 -20.740 -3.834 1.00 0.00 H new ATOM 0 HG LEU A 10 39.774 -22.617 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 10 41.599 -22.566 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 10 40.086 -21.900 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 10 41.398 -20.805 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 10 42.113 -22.375 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 10 41.936 -20.605 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 10 40.978 -21.566 -1.262 1.00 0.00 H new ATOM 155 N MET A 11 37.832 -18.011 -2.728 1.00 0.00 N ATOM 156 CA MET A 11 36.690 -17.109 -2.831 1.00 0.00 C ATOM 157 C MET A 11 37.086 -15.688 -2.443 1.00 0.00 C ATOM 158 O MET A 11 37.705 -15.465 -1.402 1.00 0.00 O ATOM 159 CB MET A 11 35.533 -17.602 -1.953 1.00 0.00 C ATOM 160 CG MET A 11 35.936 -17.944 -0.526 1.00 0.00 C ATOM 161 SD MET A 11 35.903 -16.516 0.575 1.00 0.00 S ATOM 162 CE MET A 11 36.373 -17.274 2.127 1.00 0.00 C ATOM 0 H MET A 11 37.911 -18.493 -1.832 1.00 0.00 H new ATOM 0 HA MET A 11 36.357 -17.100 -3.869 1.00 0.00 H new ATOM 0 HB2 MET A 11 34.759 -16.835 -1.926 1.00 0.00 H new ATOM 0 HB3 MET A 11 35.091 -18.485 -2.415 1.00 0.00 H new ATOM 0 HG2 MET A 11 35.265 -18.711 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 11 36.939 -18.370 -0.530 1.00 0.00 H new ATOM 0 HE1 MET A 11 36.210 -16.568 2.941 1.00 0.00 H new ATOM 0 HE2 MET A 11 35.769 -18.166 2.294 1.00 0.00 H new ATOM 0 HE3 MET A 11 37.427 -17.551 2.092 1.00 0.00 H new ATOM 172 N TYR A 12 36.740 -14.732 -3.298 1.00 0.00 N ATOM 173 CA TYR A 12 37.062 -13.331 -3.051 1.00 0.00 C ATOM 174 C TYR A 12 35.939 -12.632 -2.289 1.00 0.00 C ATOM 175 O TYR A 12 36.117 -11.521 -1.788 1.00 0.00 O ATOM 176 CB TYR A 12 37.331 -12.606 -4.373 1.00 0.00 C ATOM 177 CG TYR A 12 36.122 -12.511 -5.279 1.00 0.00 C ATOM 178 CD1 TYR A 12 35.729 -13.588 -6.062 1.00 0.00 C ATOM 179 CD2 TYR A 12 35.378 -11.339 -5.354 1.00 0.00 C ATOM 180 CE1 TYR A 12 34.629 -13.503 -6.893 1.00 0.00 C ATOM 181 CE2 TYR A 12 34.276 -11.246 -6.182 1.00 0.00 C ATOM 182 CZ TYR A 12 33.906 -12.330 -6.950 1.00 0.00 C ATOM 183 OH TYR A 12 32.810 -12.241 -7.776 1.00 0.00 O ATOM 0 H TYR A 12 36.236 -14.902 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 12 37.962 -13.297 -2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 12 37.691 -11.600 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 12 38.130 -13.124 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 12 36.293 -14.508 -6.021 1.00 0.00 H new ATOM 0 HD2 TYR A 12 35.666 -10.488 -4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 12 34.337 -14.351 -7.495 1.00 0.00 H new ATOM 0 HE2 TYR A 12 33.707 -10.329 -6.228 1.00 0.00 H new ATOM 0 HH TYR A 12 32.413 -11.349 -7.697 1.00 0.00 H new ATOM 193 N ARG A 13 34.786 -13.285 -2.205 1.00 0.00 N ATOM 194 CA ARG A 13 33.639 -12.718 -1.505 1.00 0.00 C ATOM 195 C ARG A 13 32.831 -13.806 -0.804 1.00 0.00 C ATOM 196 O ARG A 13 32.904 -14.980 -1.168 1.00 0.00 O ATOM 197 CB ARG A 13 32.745 -11.950 -2.481 1.00 0.00 C ATOM 198 CG ARG A 13 32.150 -12.821 -3.576 1.00 0.00 C ATOM 199 CD ARG A 13 31.279 -12.009 -4.522 1.00 0.00 C ATOM 200 NE ARG A 13 30.156 -11.380 -3.831 1.00 0.00 N ATOM 201 CZ ARG A 13 29.316 -10.527 -4.411 1.00 0.00 C ATOM 202 NH1 ARG A 13 29.472 -10.201 -5.687 1.00 0.00 N ATOM 203 NH2 ARG A 13 28.319 -9.998 -3.715 1.00 0.00 N ATOM 0 H ARG A 13 34.620 -14.206 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 13 34.015 -12.029 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 13 31.936 -11.477 -1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.326 -11.150 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 13 32.952 -13.299 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 13 31.557 -13.618 -3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 13 31.885 -11.241 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 13 30.901 -12.657 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 13 30.008 -11.608 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 13 30.238 -10.605 -6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 13 28.826 -9.547 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 13 28.195 -10.245 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 13 27.676 -9.344 -4.161 1.00 0.00 H new ATOM 217 N GLY A 14 32.061 -13.404 0.203 1.00 0.00 N ATOM 218 CA GLY A 14 31.244 -14.348 0.945 1.00 0.00 C ATOM 219 C GLY A 14 30.229 -13.654 1.832 1.00 0.00 C ATOM 220 O GLY A 14 29.039 -13.622 1.518 1.00 0.00 O ATOM 0 H GLY A 14 31.988 -12.437 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 14 30.725 -15.004 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 14 31.887 -14.980 1.557 1.00 0.00 H new ATOM 224 N ILE A 15 30.702 -13.099 2.943 1.00 0.00 N ATOM 225 CA ILE A 15 29.831 -12.392 3.877 1.00 0.00 C ATOM 226 C ILE A 15 30.373 -11.010 4.174 1.00 0.00 C ATOM 227 O ILE A 15 31.578 -10.777 4.086 1.00 0.00 O ATOM 228 CB ILE A 15 29.676 -13.146 5.215 1.00 0.00 C ATOM 229 CG1 ILE A 15 30.883 -12.906 6.138 1.00 0.00 C ATOM 230 CG2 ILE A 15 29.499 -14.621 4.958 1.00 0.00 C ATOM 231 CD1 ILE A 15 32.218 -13.257 5.515 1.00 0.00 C ATOM 0 H ILE A 15 31.684 -13.125 3.219 1.00 0.00 H new ATOM 0 HA ILE A 15 28.856 -12.324 3.394 1.00 0.00 H new ATOM 0 HB ILE A 15 28.790 -12.761 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 15 30.897 -11.857 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 15 30.753 -13.492 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 15 29.390 -15.145 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 15 28.607 -14.780 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 15 30.371 -15.005 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.016 -13.059 6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 15 32.227 -14.313 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 15 32.373 -12.652 4.622 1.00 0.00 H new ATOM 243 N TYR A 16 29.485 -10.098 4.535 1.00 0.00 N ATOM 244 CA TYR A 16 29.896 -8.746 4.864 1.00 0.00 C ATOM 245 C TYR A 16 28.912 -8.093 5.829 1.00 0.00 C ATOM 246 O TYR A 16 27.699 -8.137 5.620 1.00 0.00 O ATOM 247 CB TYR A 16 30.040 -7.889 3.598 1.00 0.00 C ATOM 248 CG TYR A 16 31.118 -8.373 2.654 1.00 0.00 C ATOM 249 CD1 TYR A 16 32.464 -8.246 2.981 1.00 0.00 C ATOM 250 CD2 TYR A 16 30.792 -8.977 1.447 1.00 0.00 C ATOM 251 CE1 TYR A 16 33.451 -8.704 2.130 1.00 0.00 C ATOM 252 CE2 TYR A 16 31.773 -9.435 0.590 1.00 0.00 C ATOM 253 CZ TYR A 16 33.101 -9.298 0.937 1.00 0.00 C ATOM 254 OH TYR A 16 34.082 -9.756 0.085 1.00 0.00 O ATOM 0 H TYR A 16 28.482 -10.269 4.607 1.00 0.00 H new ATOM 0 HA TYR A 16 30.869 -8.809 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 16 29.087 -7.875 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 16 30.259 -6.862 3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 16 32.742 -7.782 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 16 29.753 -9.091 1.174 1.00 0.00 H new ATOM 0 HE1 TYR A 16 34.492 -8.597 2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 16 31.502 -9.898 -0.347 1.00 0.00 H new ATOM 0 HH TYR A 16 34.865 -10.031 0.606 1.00 0.00 H new ATOM 264 N THR A 17 29.444 -7.488 6.887 1.00 0.00 N ATOM 265 CA THR A 17 28.615 -6.822 7.886 1.00 0.00 C ATOM 266 C THR A 17 28.419 -5.349 7.539 1.00 0.00 C ATOM 267 O THR A 17 29.121 -4.479 8.056 1.00 0.00 O ATOM 268 CB THR A 17 29.236 -6.932 9.293 1.00 0.00 C ATOM 269 OG1 THR A 17 29.522 -8.302 9.598 1.00 0.00 O ATOM 270 CG2 THR A 17 28.298 -6.364 10.347 1.00 0.00 C ATOM 0 H THR A 17 30.446 -7.445 7.075 1.00 0.00 H new ATOM 0 HA THR A 17 27.648 -7.324 7.886 1.00 0.00 H new ATOM 0 HB THR A 17 30.161 -6.355 9.300 1.00 0.00 H new ATOM 0 HG1 THR A 17 29.918 -8.362 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 17 28.759 -6.453 11.331 1.00 0.00 H new ATOM 0 HG22 THR A 17 28.103 -5.313 10.132 1.00 0.00 H new ATOM 0 HG23 THR A 17 27.359 -6.918 10.335 1.00 0.00 H new ATOM 278 N VAL A 18 27.462 -5.078 6.657 1.00 0.00 N ATOM 279 CA VAL A 18 27.171 -3.712 6.237 1.00 0.00 C ATOM 280 C VAL A 18 26.544 -2.907 7.375 1.00 0.00 C ATOM 281 O VAL A 18 25.840 -3.461 8.219 1.00 0.00 O ATOM 282 CB VAL A 18 26.224 -3.687 5.022 1.00 0.00 C ATOM 283 CG1 VAL A 18 26.874 -4.359 3.823 1.00 0.00 C ATOM 284 CG2 VAL A 18 24.899 -4.355 5.361 1.00 0.00 C ATOM 0 H VAL A 18 26.874 -5.787 6.219 1.00 0.00 H new ATOM 0 HA VAL A 18 28.122 -3.259 5.956 1.00 0.00 H new ATOM 0 HB VAL A 18 26.025 -2.647 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 18 26.190 -4.331 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 18 27.793 -3.833 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 18 27.106 -5.395 4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 18 24.244 -4.327 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 18 25.077 -5.391 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 18 24.426 -3.826 6.188 1.00 0.00 H new ATOM 294 N PRO A 19 26.790 -1.582 7.414 1.00 0.00 N ATOM 295 CA PRO A 19 26.243 -0.711 8.459 1.00 0.00 C ATOM 296 C PRO A 19 24.738 -0.509 8.318 1.00 0.00 C ATOM 297 O PRO A 19 23.979 -0.766 9.252 1.00 0.00 O ATOM 298 CB PRO A 19 26.984 0.610 8.246 1.00 0.00 C ATOM 299 CG PRO A 19 27.357 0.607 6.805 1.00 0.00 C ATOM 300 CD PRO A 19 27.617 -0.831 6.447 1.00 0.00 C ATOM 0 HA PRO A 19 26.379 -1.135 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 19 26.350 1.463 8.489 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.866 0.676 8.883 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.556 1.023 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.242 1.219 6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 19 27.328 -1.047 5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.673 -1.083 6.541 1.00 0.00 H new ATOM 308 N ASN A 20 24.317 -0.048 7.143 1.00 0.00 N ATOM 309 CA ASN A 20 22.902 0.195 6.875 1.00 0.00 C ATOM 310 C ASN A 20 22.687 0.605 5.419 1.00 0.00 C ATOM 311 O ASN A 20 22.276 1.730 5.134 1.00 0.00 O ATOM 312 CB ASN A 20 22.365 1.281 7.813 1.00 0.00 C ATOM 313 CG ASN A 20 23.274 2.494 7.878 1.00 0.00 C ATOM 314 OD1 ASN A 20 24.205 2.542 8.682 1.00 0.00 O ATOM 315 ND2 ASN A 20 23.006 3.484 7.034 1.00 0.00 N ATOM 0 H ASN A 20 24.936 0.165 6.361 1.00 0.00 H new ATOM 0 HA ASN A 20 22.356 -0.731 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 20 21.375 1.590 7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 20 22.246 0.866 8.814 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.582 4.326 7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 20 22.224 3.402 6.384 1.00 0.00 H new ATOM 322 N LEU A 21 22.964 -0.318 4.502 1.00 0.00 N ATOM 323 CA LEU A 21 22.800 -0.051 3.076 1.00 0.00 C ATOM 324 C LEU A 21 21.408 -0.450 2.597 1.00 0.00 C ATOM 325 O LEU A 21 21.152 -0.516 1.395 1.00 0.00 O ATOM 326 CB LEU A 21 23.864 -0.800 2.267 1.00 0.00 C ATOM 327 CG LEU A 21 25.194 -0.062 2.088 1.00 0.00 C ATOM 328 CD1 LEU A 21 24.992 1.214 1.285 1.00 0.00 C ATOM 329 CD2 LEU A 21 25.822 0.248 3.439 1.00 0.00 C ATOM 0 H LEU A 21 23.302 -1.255 4.720 1.00 0.00 H new ATOM 0 HA LEU A 21 22.922 1.021 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 21 24.061 -1.755 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 21 23.456 -1.023 1.281 1.00 0.00 H new ATOM 0 HG LEU A 21 25.875 -0.711 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 21 25.948 1.725 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.590 0.966 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.293 1.867 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 21 26.766 0.772 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 25.146 0.876 4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 21 26.005 -0.682 3.977 1.00 0.00 H new ATOM 341 N LEU A 22 20.513 -0.717 3.543 1.00 0.00 N ATOM 342 CA LEU A 22 19.148 -1.107 3.208 1.00 0.00 C ATOM 343 C LEU A 22 18.216 0.101 3.253 1.00 0.00 C ATOM 344 O LEU A 22 17.291 0.214 2.449 1.00 0.00 O ATOM 345 CB LEU A 22 18.642 -2.202 4.157 1.00 0.00 C ATOM 346 CG LEU A 22 18.334 -1.753 5.590 1.00 0.00 C ATOM 347 CD1 LEU A 22 17.535 -2.823 6.320 1.00 0.00 C ATOM 348 CD2 LEU A 22 19.617 -1.444 6.347 1.00 0.00 C ATOM 0 H LEU A 22 20.707 -0.671 4.543 1.00 0.00 H new ATOM 0 HA LEU A 22 19.153 -1.506 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 22 17.738 -2.637 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 22 19.389 -2.995 4.197 1.00 0.00 H new ATOM 0 HG LEU A 22 17.737 -0.842 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.324 -2.490 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 22 16.597 -2.999 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 18.111 -3.748 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 22 19.374 -1.127 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 22 20.241 -2.337 6.385 1.00 0.00 H new ATOM 0 HD23 LEU A 22 20.157 -0.646 5.837 1.00 0.00 H new ATOM 360 N SER A 23 18.469 1.002 4.198 1.00 0.00 N ATOM 361 CA SER A 23 17.655 2.202 4.348 1.00 0.00 C ATOM 362 C SER A 23 18.437 3.449 3.947 1.00 0.00 C ATOM 363 O SER A 23 18.034 4.571 4.253 1.00 0.00 O ATOM 364 CB SER A 23 17.171 2.335 5.793 1.00 0.00 C ATOM 365 OG SER A 23 16.387 1.218 6.175 1.00 0.00 O ATOM 0 H SER A 23 19.231 0.923 4.871 1.00 0.00 H new ATOM 0 HA SER A 23 16.793 2.109 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.028 2.426 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.585 3.248 5.901 1.00 0.00 H new ATOM 0 HG SER A 23 16.092 1.327 7.103 1.00 0.00 H new ATOM 371 N GLU A 24 19.556 3.246 3.258 1.00 0.00 N ATOM 372 CA GLU A 24 20.396 4.356 2.820 1.00 0.00 C ATOM 373 C GLU A 24 20.734 4.234 1.336 1.00 0.00 C ATOM 374 O GLU A 24 21.450 5.066 0.779 1.00 0.00 O ATOM 375 CB GLU A 24 21.681 4.401 3.653 1.00 0.00 C ATOM 376 CG GLU A 24 22.520 5.650 3.428 1.00 0.00 C ATOM 377 CD GLU A 24 21.752 6.927 3.711 1.00 0.00 C ATOM 378 OE1 GLU A 24 21.713 7.348 4.886 1.00 0.00 O ATOM 379 OE2 GLU A 24 21.189 7.505 2.757 1.00 0.00 O ATOM 0 H GLU A 24 19.902 2.324 2.991 1.00 0.00 H new ATOM 0 HA GLU A 24 19.842 5.283 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.420 4.337 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 24 22.284 3.524 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 24 23.402 5.611 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.875 5.664 2.397 1.00 0.00 H new ATOM 386 N GLN A 25 20.207 3.195 0.695 1.00 0.00 N ATOM 387 CA GLN A 25 20.461 2.969 -0.723 1.00 0.00 C ATOM 388 C GLN A 25 19.599 3.884 -1.587 1.00 0.00 C ATOM 389 O GLN A 25 19.936 5.049 -1.801 1.00 0.00 O ATOM 390 CB GLN A 25 20.211 1.501 -1.083 1.00 0.00 C ATOM 391 CG GLN A 25 20.654 1.132 -2.490 1.00 0.00 C ATOM 392 CD GLN A 25 22.162 1.114 -2.651 1.00 0.00 C ATOM 393 OE1 GLN A 25 22.884 1.847 -1.973 1.00 0.00 O ATOM 394 NE2 GLN A 25 22.648 0.273 -3.556 1.00 0.00 N ATOM 0 H GLN A 25 19.604 2.499 1.133 1.00 0.00 H new ATOM 0 HA GLN A 25 21.507 3.205 -0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 25 20.736 0.867 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 25 19.147 1.287 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 25 20.255 0.150 -2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 25 20.227 1.843 -3.198 1.00 0.00 H new ATOM 0 HE21 GLN A 25 22.015 -0.317 -4.096 1.00 0.00 H new ATOM 0 HE22 GLN A 25 23.655 0.216 -3.711 1.00 0.00 H new ATOM 403 N ARG A 26 18.488 3.353 -2.078 1.00 0.00 N ATOM 404 CA ARG A 26 17.577 4.121 -2.920 1.00 0.00 C ATOM 405 C ARG A 26 16.824 5.164 -2.094 1.00 0.00 C ATOM 406 O ARG A 26 16.393 4.881 -0.977 1.00 0.00 O ATOM 407 CB ARG A 26 16.578 3.189 -3.609 1.00 0.00 C ATOM 408 CG ARG A 26 17.227 2.169 -4.529 1.00 0.00 C ATOM 409 CD ARG A 26 16.185 1.315 -5.235 1.00 0.00 C ATOM 410 NE ARG A 26 15.318 2.113 -6.097 1.00 0.00 N ATOM 411 CZ ARG A 26 14.174 1.670 -6.611 1.00 0.00 C ATOM 412 NH1 ARG A 26 13.756 0.438 -6.352 1.00 0.00 N ATOM 413 NH2 ARG A 26 13.444 2.462 -7.384 1.00 0.00 N ATOM 0 H ARG A 26 18.194 2.391 -1.908 1.00 0.00 H new ATOM 0 HA ARG A 26 18.168 4.636 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 26 16.001 2.663 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 26 15.874 3.789 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.840 2.683 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 26 17.894 1.529 -3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 26 16.685 0.551 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.579 0.795 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 26 15.606 3.066 -6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.313 -0.175 -5.756 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.878 0.103 -6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.760 3.411 -7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.567 2.122 -7.778 1.00 0.00 H new ATOM 427 N PRO A 27 16.655 6.390 -2.630 1.00 0.00 N ATOM 428 CA PRO A 27 15.949 7.465 -1.927 1.00 0.00 C ATOM 429 C PRO A 27 14.437 7.259 -1.911 1.00 0.00 C ATOM 430 O PRO A 27 13.688 8.122 -1.454 1.00 0.00 O ATOM 431 CB PRO A 27 16.306 8.708 -2.739 1.00 0.00 C ATOM 432 CG PRO A 27 16.537 8.197 -4.118 1.00 0.00 C ATOM 433 CD PRO A 27 17.138 6.827 -3.957 1.00 0.00 C ATOM 0 HA PRO A 27 16.238 7.522 -0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.500 9.442 -2.717 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.195 9.199 -2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.603 8.150 -4.678 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.208 8.855 -4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.810 6.150 -4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.227 6.859 -3.997 1.00 0.00 H new ATOM 441 N VAL A 28 13.998 6.111 -2.412 1.00 0.00 N ATOM 442 CA VAL A 28 12.576 5.790 -2.457 1.00 0.00 C ATOM 443 C VAL A 28 12.315 4.353 -2.017 1.00 0.00 C ATOM 444 O VAL A 28 12.477 3.415 -2.798 1.00 0.00 O ATOM 445 CB VAL A 28 11.996 5.994 -3.868 1.00 0.00 C ATOM 446 CG1 VAL A 28 11.705 7.466 -4.119 1.00 0.00 C ATOM 447 CG2 VAL A 28 12.946 5.448 -4.926 1.00 0.00 C ATOM 0 H VAL A 28 14.606 5.386 -2.793 1.00 0.00 H new ATOM 0 HA VAL A 28 12.082 6.472 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 28 11.058 5.442 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.296 7.590 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.983 7.824 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.628 8.040 -4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.516 5.603 -5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.902 5.968 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.101 4.382 -4.760 1.00 0.00 H new ATOM 457 N ASP A 29 11.900 4.194 -0.761 1.00 0.00 N ATOM 458 CA ASP A 29 11.612 2.874 -0.205 1.00 0.00 C ATOM 459 C ASP A 29 11.170 2.984 1.250 1.00 0.00 C ATOM 460 O ASP A 29 12.000 3.040 2.158 1.00 0.00 O ATOM 461 CB ASP A 29 12.842 1.971 -0.305 1.00 0.00 C ATOM 462 CG ASP A 29 12.590 0.583 0.249 1.00 0.00 C ATOM 463 OD1 ASP A 29 12.143 -0.293 -0.521 1.00 0.00 O ATOM 464 OD2 ASP A 29 12.841 0.369 1.455 1.00 0.00 O ATOM 0 H ASP A 29 11.756 4.965 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 29 10.800 2.435 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.147 1.892 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.670 2.429 0.235 1.00 0.00 H new ATOM 469 N ILE A 30 9.858 3.017 1.466 1.00 0.00 N ATOM 470 CA ILE A 30 9.308 3.121 2.812 1.00 0.00 C ATOM 471 C ILE A 30 9.171 1.740 3.453 1.00 0.00 C ATOM 472 O ILE A 30 8.632 0.819 2.837 1.00 0.00 O ATOM 473 CB ILE A 30 7.929 3.812 2.802 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.991 5.125 2.015 1.00 0.00 C ATOM 475 CG2 ILE A 30 7.444 4.060 4.224 1.00 0.00 C ATOM 476 CD1 ILE A 30 8.986 6.127 2.569 1.00 0.00 C ATOM 0 H ILE A 30 9.157 2.973 0.726 1.00 0.00 H new ATOM 0 HA ILE A 30 10.002 3.724 3.397 1.00 0.00 H new ATOM 0 HB ILE A 30 7.217 3.151 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.250 4.905 0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.000 5.579 2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.470 4.548 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.359 3.109 4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.156 4.700 4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.972 7.030 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.716 6.378 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.986 5.694 2.553 1.00 0.00 H new ATOM 488 N PRO A 31 9.656 1.571 4.701 1.00 0.00 N ATOM 489 CA PRO A 31 9.578 0.287 5.409 1.00 0.00 C ATOM 490 C PRO A 31 8.138 -0.177 5.613 1.00 0.00 C ATOM 491 O PRO A 31 7.227 0.637 5.752 1.00 0.00 O ATOM 492 CB PRO A 31 10.245 0.573 6.761 1.00 0.00 C ATOM 493 CG PRO A 31 10.209 2.055 6.908 1.00 0.00 C ATOM 494 CD PRO A 31 10.311 2.609 5.518 1.00 0.00 C ATOM 0 HA PRO A 31 10.059 -0.513 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.711 0.083 7.575 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.269 0.200 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.286 2.377 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.033 2.406 7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.807 3.571 5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.348 2.763 5.220 1.00 0.00 H new ATOM 502 N GLU A 32 7.951 -1.497 5.621 1.00 0.00 N ATOM 503 CA GLU A 32 6.631 -2.100 5.802 1.00 0.00 C ATOM 504 C GLU A 32 5.915 -1.541 7.032 1.00 0.00 C ATOM 505 O GLU A 32 4.700 -1.686 7.167 1.00 0.00 O ATOM 506 CB GLU A 32 6.765 -3.621 5.925 1.00 0.00 C ATOM 507 CG GLU A 32 5.432 -4.349 6.006 1.00 0.00 C ATOM 508 CD GLU A 32 5.598 -5.849 6.158 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.776 -6.535 5.130 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.549 -6.336 7.307 1.00 0.00 O ATOM 0 H GLU A 32 8.705 -2.174 5.503 1.00 0.00 H new ATOM 0 HA GLU A 32 6.031 -1.853 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.323 -3.998 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.351 -3.854 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.861 -3.962 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.852 -4.140 5.107 1.00 0.00 H new ATOM 517 N ASP A 33 6.670 -0.908 7.923 1.00 0.00 N ATOM 518 CA ASP A 33 6.101 -0.332 9.137 1.00 0.00 C ATOM 519 C ASP A 33 4.978 0.650 8.807 1.00 0.00 C ATOM 520 O ASP A 33 4.032 0.808 9.576 1.00 0.00 O ATOM 521 CB ASP A 33 7.187 0.376 9.946 1.00 0.00 C ATOM 522 CG ASP A 33 6.666 0.927 11.258 1.00 0.00 C ATOM 523 OD1 ASP A 33 6.190 2.082 11.269 1.00 0.00 O ATOM 524 OD2 ASP A 33 6.734 0.204 12.274 1.00 0.00 O ATOM 0 H ASP A 33 7.678 -0.780 7.828 1.00 0.00 H new ATOM 0 HA ASP A 33 5.683 -1.145 9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.000 -0.322 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.604 1.190 9.354 1.00 0.00 H new ATOM 529 N GLU A 34 5.097 1.314 7.661 1.00 0.00 N ATOM 530 CA GLU A 34 4.104 2.278 7.220 1.00 0.00 C ATOM 531 C GLU A 34 3.033 1.600 6.363 1.00 0.00 C ATOM 532 O GLU A 34 1.927 2.116 6.210 1.00 0.00 O ATOM 533 CB GLU A 34 4.813 3.393 6.444 1.00 0.00 C ATOM 534 CG GLU A 34 4.008 3.992 5.303 1.00 0.00 C ATOM 535 CD GLU A 34 3.030 5.054 5.766 1.00 0.00 C ATOM 536 OE1 GLU A 34 3.467 6.201 6.001 1.00 0.00 O ATOM 537 OE2 GLU A 34 1.828 4.741 5.892 1.00 0.00 O ATOM 0 H GLU A 34 5.880 1.198 7.018 1.00 0.00 H new ATOM 0 HA GLU A 34 3.598 2.708 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.076 4.189 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.747 2.999 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.690 4.427 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.461 3.198 4.795 1.00 0.00 H new ATOM 544 N LEU A 35 3.368 0.432 5.821 1.00 0.00 N ATOM 545 CA LEU A 35 2.444 -0.308 4.971 1.00 0.00 C ATOM 546 C LEU A 35 1.269 -0.852 5.777 1.00 0.00 C ATOM 547 O LEU A 35 0.133 -0.866 5.301 1.00 0.00 O ATOM 548 CB LEU A 35 3.161 -1.460 4.267 1.00 0.00 C ATOM 549 CG LEU A 35 2.383 -2.078 3.104 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.672 -1.329 1.814 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.719 -3.555 2.958 1.00 0.00 C ATOM 0 H LEU A 35 4.272 -0.021 5.956 1.00 0.00 H new ATOM 0 HA LEU A 35 2.061 0.385 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.120 -1.100 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.375 -2.239 4.999 1.00 0.00 H new ATOM 0 HG LEU A 35 1.318 -1.993 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.111 -1.782 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.375 -0.286 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.738 -1.381 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.155 -3.976 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.786 -3.668 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.456 -4.080 3.876 1.00 0.00 H new ATOM 563 N GLU A 36 1.547 -1.306 6.998 1.00 0.00 N ATOM 564 CA GLU A 36 0.506 -1.851 7.863 1.00 0.00 C ATOM 565 C GLU A 36 -0.598 -0.825 8.092 1.00 0.00 C ATOM 566 O GLU A 36 -1.752 -1.182 8.329 1.00 0.00 O ATOM 567 CB GLU A 36 1.096 -2.290 9.205 1.00 0.00 C ATOM 568 CG GLU A 36 1.769 -1.164 9.970 1.00 0.00 C ATOM 569 CD GLU A 36 2.275 -1.601 11.331 1.00 0.00 C ATOM 570 OE1 GLU A 36 3.413 -2.111 11.404 1.00 0.00 O ATOM 571 OE2 GLU A 36 1.535 -1.430 12.322 1.00 0.00 O ATOM 0 H GLU A 36 2.481 -1.307 7.408 1.00 0.00 H new ATOM 0 HA GLU A 36 0.077 -2.721 7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.302 -2.713 9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.822 -3.084 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.603 -0.780 9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.063 -0.343 10.096 1.00 0.00 H new ATOM 578 N GLU A 37 -0.233 0.451 8.021 1.00 0.00 N ATOM 579 CA GLU A 37 -1.193 1.531 8.215 1.00 0.00 C ATOM 580 C GLU A 37 -2.254 1.507 7.121 1.00 0.00 C ATOM 581 O GLU A 37 -3.414 1.846 7.357 1.00 0.00 O ATOM 582 CB GLU A 37 -0.478 2.882 8.224 1.00 0.00 C ATOM 583 CG GLU A 37 0.559 3.015 9.327 1.00 0.00 C ATOM 584 CD GLU A 37 -0.042 2.878 10.712 1.00 0.00 C ATOM 585 OE1 GLU A 37 -0.688 3.840 11.178 1.00 0.00 O ATOM 586 OE2 GLU A 37 0.131 1.807 11.332 1.00 0.00 O ATOM 0 H GLU A 37 0.720 0.762 7.831 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.683 1.386 9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.008 3.033 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.218 3.674 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.328 2.254 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.051 3.984 9.243 1.00 0.00 H new ATOM 593 N ILE A 38 -1.846 1.102 5.922 1.00 0.00 N ATOM 594 CA ILE A 38 -2.757 1.023 4.786 1.00 0.00 C ATOM 595 C ILE A 38 -3.871 0.020 5.062 1.00 0.00 C ATOM 596 O ILE A 38 -5.056 0.315 4.873 1.00 0.00 O ATOM 597 CB ILE A 38 -2.013 0.605 3.500 1.00 0.00 C ATOM 598 CG1 ILE A 38 -0.721 1.414 3.349 1.00 0.00 C ATOM 599 CG2 ILE A 38 -2.912 0.792 2.287 1.00 0.00 C ATOM 600 CD1 ILE A 38 0.088 1.050 2.122 1.00 0.00 C ATOM 0 H ILE A 38 -0.888 0.823 5.712 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.184 2.016 4.642 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.750 -0.450 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.970 2.474 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.105 1.266 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.375 0.494 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.805 0.177 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.201 1.840 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.987 1.665 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.369 -0.002 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.509 1.225 1.227 1.00 0.00 H new ATOM 612 N ARG A 39 -3.477 -1.165 5.516 1.00 0.00 N ATOM 613 CA ARG A 39 -4.426 -2.223 5.827 1.00 0.00 C ATOM 614 C ARG A 39 -5.350 -1.809 6.962 1.00 0.00 C ATOM 615 O ARG A 39 -6.555 -1.704 6.776 1.00 0.00 O ATOM 616 CB ARG A 39 -3.680 -3.502 6.208 1.00 0.00 C ATOM 617 CG ARG A 39 -2.781 -4.022 5.102 1.00 0.00 C ATOM 618 CD ARG A 39 -1.580 -4.762 5.662 1.00 0.00 C ATOM 619 NE ARG A 39 -1.961 -6.013 6.313 1.00 0.00 N ATOM 620 CZ ARG A 39 -1.259 -6.583 7.288 1.00 0.00 C ATOM 621 NH1 ARG A 39 -0.148 -6.010 7.732 1.00 0.00 N ATOM 622 NH2 ARG A 39 -1.671 -7.723 7.823 1.00 0.00 N ATOM 0 H ARG A 39 -2.501 -1.416 5.677 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.031 -2.408 4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.079 -3.313 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.404 -4.273 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.349 -4.688 4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.442 -3.189 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.876 -4.972 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.063 -4.124 6.378 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.815 -6.476 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.170 -5.130 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.389 -6.449 8.480 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.527 -8.164 7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.132 -8.160 8.571 1.00 0.00 H new ATOM 636 N GLU A 40 -4.774 -1.554 8.132 1.00 0.00 N ATOM 637 CA GLU A 40 -5.550 -1.162 9.306 1.00 0.00 C ATOM 638 C GLU A 40 -6.692 -0.211 8.944 1.00 0.00 C ATOM 639 O GLU A 40 -7.732 -0.211 9.592 1.00 0.00 O ATOM 640 CB GLU A 40 -4.638 -0.505 10.344 1.00 0.00 C ATOM 641 CG GLU A 40 -3.594 -1.450 10.918 1.00 0.00 C ATOM 642 CD GLU A 40 -2.646 -0.760 11.879 1.00 0.00 C ATOM 643 OE1 GLU A 40 -3.012 -0.603 13.063 1.00 0.00 O ATOM 644 OE2 GLU A 40 -1.540 -0.374 11.447 1.00 0.00 O ATOM 0 H GLU A 40 -3.769 -1.612 8.294 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.990 -2.067 9.724 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.134 0.346 9.886 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.249 -0.114 11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.095 -2.269 11.434 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.021 -1.891 10.102 1.00 0.00 H new ATOM 651 N ALA A 41 -6.504 0.582 7.898 1.00 0.00 N ATOM 652 CA ALA A 41 -7.524 1.534 7.474 1.00 0.00 C ATOM 653 C ALA A 41 -8.743 0.847 6.848 1.00 0.00 C ATOM 654 O ALA A 41 -9.757 0.623 7.516 1.00 0.00 O ATOM 655 CB ALA A 41 -6.927 2.540 6.502 1.00 0.00 C ATOM 0 H ALA A 41 -5.658 0.586 7.328 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.874 2.053 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.697 3.247 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.115 3.079 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.541 2.016 5.628 1.00 0.00 H new ATOM 661 N PHE A 42 -8.638 0.494 5.570 1.00 0.00 N ATOM 662 CA PHE A 42 -9.756 -0.121 4.856 1.00 0.00 C ATOM 663 C PHE A 42 -9.979 -1.578 5.254 1.00 0.00 C ATOM 664 O PHE A 42 -11.098 -2.084 5.170 1.00 0.00 O ATOM 665 CB PHE A 42 -9.532 -0.014 3.347 1.00 0.00 C ATOM 666 CG PHE A 42 -9.952 1.311 2.774 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.325 2.483 3.167 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.979 1.385 1.847 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.714 3.703 2.646 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.372 2.601 1.321 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.740 3.762 1.723 1.00 0.00 C ATOM 0 H PHE A 42 -7.796 0.622 5.009 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.657 0.425 5.136 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.476 -0.176 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.085 -0.809 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.523 2.443 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.479 0.481 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.216 4.609 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.172 2.644 0.597 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.048 4.714 1.316 1.00 0.00 H new ATOM 681 N LYS A 43 -8.922 -2.247 5.690 1.00 0.00 N ATOM 682 CA LYS A 43 -9.020 -3.649 6.087 1.00 0.00 C ATOM 683 C LYS A 43 -9.929 -3.832 7.303 1.00 0.00 C ATOM 684 O LYS A 43 -10.694 -4.794 7.359 1.00 0.00 O ATOM 685 CB LYS A 43 -7.633 -4.236 6.368 1.00 0.00 C ATOM 686 CG LYS A 43 -7.471 -5.677 5.906 1.00 0.00 C ATOM 687 CD LYS A 43 -7.689 -5.820 4.404 1.00 0.00 C ATOM 688 CE LYS A 43 -6.715 -4.967 3.603 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.976 -5.058 2.140 1.00 0.00 N ATOM 0 H LYS A 43 -7.988 -1.846 5.779 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.466 -4.189 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.881 -3.620 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.437 -4.183 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.473 -6.031 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.181 -6.311 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.574 -6.866 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.711 -5.532 4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.794 -3.928 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.694 -5.288 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.146 -4.713 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.162 -6.048 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.803 -4.476 1.898 1.00 0.00 H new ATOM 703 N VAL A 44 -9.854 -2.923 8.279 1.00 0.00 N ATOM 704 CA VAL A 44 -10.701 -3.046 9.464 1.00 0.00 C ATOM 705 C VAL A 44 -12.165 -2.804 9.116 1.00 0.00 C ATOM 706 O VAL A 44 -13.054 -3.408 9.717 1.00 0.00 O ATOM 707 CB VAL A 44 -10.288 -2.096 10.604 1.00 0.00 C ATOM 708 CG1 VAL A 44 -8.860 -2.378 11.042 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.462 -0.642 10.191 1.00 0.00 C ATOM 0 H VAL A 44 -9.232 -2.115 8.273 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.567 -4.068 9.819 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.944 -2.277 11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.586 -1.697 11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.784 -3.407 11.394 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.185 -2.232 10.198 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.164 0.008 11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.840 -0.434 9.320 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.507 -0.457 9.943 1.00 0.00 H new ATOM 719 N PHE A 45 -12.419 -1.920 8.149 1.00 0.00 N ATOM 720 CA PHE A 45 -13.795 -1.642 7.742 1.00 0.00 C ATOM 721 C PHE A 45 -14.470 -2.923 7.259 1.00 0.00 C ATOM 722 O PHE A 45 -15.697 -3.001 7.183 1.00 0.00 O ATOM 723 CB PHE A 45 -13.850 -0.564 6.654 1.00 0.00 C ATOM 724 CG PHE A 45 -13.549 0.822 7.163 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.299 1.377 8.189 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.519 1.568 6.615 1.00 0.00 C ATOM 727 CE1 PHE A 45 -14.025 2.648 8.658 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.240 2.840 7.080 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.995 3.380 8.102 1.00 0.00 C ATOM 0 H PHE A 45 -11.706 -1.395 7.643 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.333 -1.263 8.611 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.138 -0.816 5.868 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.841 -0.568 6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.107 0.809 8.627 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.926 1.151 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.616 3.068 9.458 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.433 3.410 6.644 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.780 4.374 8.466 1.00 0.00 H new ATOM 739 N ASP A 46 -13.656 -3.925 6.932 1.00 0.00 N ATOM 740 CA ASP A 46 -14.167 -5.213 6.478 1.00 0.00 C ATOM 741 C ASP A 46 -14.662 -6.025 7.671 1.00 0.00 C ATOM 742 O ASP A 46 -13.887 -6.721 8.326 1.00 0.00 O ATOM 743 CB ASP A 46 -13.074 -5.983 5.730 1.00 0.00 C ATOM 744 CG ASP A 46 -13.522 -7.367 5.297 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.743 -7.630 5.312 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.651 -8.187 4.941 1.00 0.00 O ATOM 0 H ASP A 46 -12.638 -3.868 6.974 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.000 -5.042 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.770 -5.413 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.197 -6.074 6.370 1.00 0.00 H new ATOM 751 N ARG A 47 -15.958 -5.924 7.946 1.00 0.00 N ATOM 752 CA ARG A 47 -16.568 -6.629 9.068 1.00 0.00 C ATOM 753 C ARG A 47 -16.314 -8.131 8.992 1.00 0.00 C ATOM 754 O ARG A 47 -16.131 -8.789 10.016 1.00 0.00 O ATOM 755 CB ARG A 47 -18.071 -6.356 9.107 1.00 0.00 C ATOM 756 CG ARG A 47 -18.422 -4.881 9.009 1.00 0.00 C ATOM 757 CD ARG A 47 -19.900 -4.648 9.270 1.00 0.00 C ATOM 758 NE ARG A 47 -20.742 -5.424 8.365 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.067 -5.319 8.313 1.00 0.00 C ATOM 760 NH1 ARG A 47 -22.700 -4.472 9.114 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.759 -6.061 7.459 1.00 0.00 N ATOM 0 H ARG A 47 -16.610 -5.357 7.404 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.108 -6.257 9.983 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.551 -6.891 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.481 -6.758 10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.830 -4.315 9.728 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.162 -4.508 8.018 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.133 -4.915 10.301 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.126 -3.588 9.156 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.288 -6.086 7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.171 -3.899 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -23.716 -4.393 9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.275 -6.713 6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.775 -5.980 7.420 1.00 0.00 H new ATOM 775 N ASP A 48 -16.306 -8.671 7.778 1.00 0.00 N ATOM 776 CA ASP A 48 -16.077 -10.098 7.584 1.00 0.00 C ATOM 777 C ASP A 48 -14.596 -10.435 7.708 1.00 0.00 C ATOM 778 O ASP A 48 -14.228 -11.586 7.946 1.00 0.00 O ATOM 779 CB ASP A 48 -16.597 -10.537 6.216 1.00 0.00 C ATOM 780 CG ASP A 48 -18.041 -10.135 5.989 1.00 0.00 C ATOM 781 OD1 ASP A 48 -18.941 -10.898 6.397 1.00 0.00 O ATOM 782 OD2 ASP A 48 -18.272 -9.056 5.403 1.00 0.00 O ATOM 0 H ASP A 48 -16.455 -8.145 6.917 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.619 -10.635 8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.974 -10.099 5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.506 -11.619 6.126 1.00 0.00 H new ATOM 787 N GLY A 49 -13.751 -9.420 7.547 1.00 0.00 N ATOM 788 CA GLY A 49 -12.316 -9.618 7.648 1.00 0.00 C ATOM 789 C GLY A 49 -11.803 -10.684 6.701 1.00 0.00 C ATOM 790 O GLY A 49 -10.709 -11.215 6.892 1.00 0.00 O ATOM 0 H GLY A 49 -14.036 -8.461 7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.808 -8.677 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.063 -9.895 8.671 1.00 0.00 H new ATOM 794 N ASN A 50 -12.590 -10.994 5.675 1.00 0.00 N ATOM 795 CA ASN A 50 -12.208 -12.006 4.697 1.00 0.00 C ATOM 796 C ASN A 50 -11.098 -11.497 3.782 1.00 0.00 C ATOM 797 O ASN A 50 -10.614 -12.224 2.914 1.00 0.00 O ATOM 798 CB ASN A 50 -13.425 -12.429 3.870 1.00 0.00 C ATOM 799 CG ASN A 50 -14.280 -11.249 3.444 1.00 0.00 C ATOM 800 OD1 ASN A 50 -13.785 -10.136 3.274 1.00 0.00 O ATOM 801 ND2 ASN A 50 -15.573 -11.491 3.272 1.00 0.00 N ATOM 0 H ASN A 50 -13.496 -10.559 5.500 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.828 -12.873 5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.088 -12.968 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.033 -13.122 4.452 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.199 -10.738 2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.941 -12.430 3.424 1.00 0.00 H new ATOM 808 N GLY A 51 -10.699 -10.244 3.984 1.00 0.00 N ATOM 809 CA GLY A 51 -9.644 -9.662 3.175 1.00 0.00 C ATOM 810 C GLY A 51 -10.180 -8.845 2.016 1.00 0.00 C ATOM 811 O GLY A 51 -9.418 -8.194 1.302 1.00 0.00 O ATOM 0 H GLY A 51 -11.088 -9.622 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.018 -9.028 3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.006 -10.458 2.789 1.00 0.00 H new ATOM 815 N PHE A 52 -11.496 -8.881 1.830 1.00 0.00 N ATOM 816 CA PHE A 52 -12.135 -8.140 0.749 1.00 0.00 C ATOM 817 C PHE A 52 -13.244 -7.247 1.296 1.00 0.00 C ATOM 818 O PHE A 52 -13.942 -7.617 2.241 1.00 0.00 O ATOM 819 CB PHE A 52 -12.704 -9.106 -0.294 1.00 0.00 C ATOM 820 CG PHE A 52 -11.850 -10.323 -0.511 1.00 0.00 C ATOM 821 CD1 PHE A 52 -10.699 -10.253 -1.280 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.195 -11.536 0.064 1.00 0.00 C ATOM 823 CE1 PHE A 52 -9.912 -11.371 -1.478 1.00 0.00 C ATOM 824 CE2 PHE A 52 -11.410 -12.657 -0.129 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.266 -12.575 -0.899 1.00 0.00 C ATOM 0 H PHE A 52 -12.140 -9.415 2.414 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.384 -7.510 0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.699 -9.421 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.820 -8.579 -1.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.414 -9.313 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.087 -11.606 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.021 -11.304 -2.085 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.691 -13.597 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.650 -13.449 -1.048 1.00 0.00 H new ATOM 835 N ILE A 53 -13.402 -6.072 0.697 1.00 0.00 N ATOM 836 CA ILE A 53 -14.422 -5.125 1.131 1.00 0.00 C ATOM 837 C ILE A 53 -15.564 -5.042 0.123 1.00 0.00 C ATOM 838 O ILE A 53 -15.345 -4.765 -1.057 1.00 0.00 O ATOM 839 CB ILE A 53 -13.826 -3.717 1.333 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.669 -3.764 2.334 1.00 0.00 C ATOM 841 CG2 ILE A 53 -14.900 -2.747 1.805 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.723 -2.591 2.214 1.00 0.00 C ATOM 0 H ILE A 53 -12.837 -5.753 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 53 -14.810 -5.490 2.082 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.440 -3.365 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.074 -3.792 3.345 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.110 -4.688 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.462 -1.758 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.694 -2.692 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.314 -3.095 2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.927 -2.688 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.290 -2.574 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.269 -1.664 2.389 1.00 0.00 H new ATOM 854 N SER A 54 -16.783 -5.286 0.596 1.00 0.00 N ATOM 855 CA SER A 54 -17.964 -5.231 -0.258 1.00 0.00 C ATOM 856 C SER A 54 -18.487 -3.802 -0.348 1.00 0.00 C ATOM 857 O SER A 54 -17.924 -2.895 0.264 1.00 0.00 O ATOM 858 CB SER A 54 -19.055 -6.160 0.279 1.00 0.00 C ATOM 859 OG SER A 54 -20.181 -6.177 -0.582 1.00 0.00 O ATOM 0 H SER A 54 -16.978 -5.524 1.568 1.00 0.00 H new ATOM 0 HA SER A 54 -17.684 -5.564 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.658 -7.170 0.383 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.359 -5.833 1.273 1.00 0.00 H new ATOM 0 HG SER A 54 -20.863 -6.779 -0.217 1.00 0.00 H new ATOM 865 N LYS A 55 -19.557 -3.598 -1.110 1.00 0.00 N ATOM 866 CA LYS A 55 -20.137 -2.267 -1.265 1.00 0.00 C ATOM 867 C LYS A 55 -20.677 -1.739 0.061 1.00 0.00 C ATOM 868 O LYS A 55 -20.368 -0.618 0.466 1.00 0.00 O ATOM 869 CB LYS A 55 -21.263 -2.288 -2.304 1.00 0.00 C ATOM 870 CG LYS A 55 -20.789 -2.536 -3.730 1.00 0.00 C ATOM 871 CD LYS A 55 -20.648 -4.020 -4.033 1.00 0.00 C ATOM 872 CE LYS A 55 -22.003 -4.708 -4.118 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.875 -6.150 -4.467 1.00 0.00 N ATOM 0 H LYS A 55 -20.039 -4.333 -1.628 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.343 -1.602 -1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -21.980 -3.062 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.793 -1.336 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.495 -2.088 -4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.830 -2.042 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.114 -4.150 -4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.047 -4.494 -3.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.520 -4.610 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.618 -4.207 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.820 -6.581 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.405 -6.243 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.310 -6.634 -3.740 1.00 0.00 H new ATOM 887 N GLN A 56 -21.484 -2.555 0.733 1.00 0.00 N ATOM 888 CA GLN A 56 -22.084 -2.168 2.008 1.00 0.00 C ATOM 889 C GLN A 56 -21.021 -1.814 3.046 1.00 0.00 C ATOM 890 O GLN A 56 -21.206 -0.895 3.842 1.00 0.00 O ATOM 891 CB GLN A 56 -22.974 -3.293 2.537 1.00 0.00 C ATOM 892 CG GLN A 56 -24.086 -3.690 1.579 1.00 0.00 C ATOM 893 CD GLN A 56 -25.037 -2.545 1.280 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.256 -1.670 2.117 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.607 -2.548 0.081 1.00 0.00 N ATOM 0 H GLN A 56 -21.738 -3.490 0.416 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.690 -1.279 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.356 -4.166 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.415 -2.981 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.647 -4.046 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.647 -4.522 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.396 -3.294 -0.582 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.256 -1.804 -0.177 1.00 0.00 H new ATOM 904 N GLU A 57 -19.911 -2.545 3.032 1.00 0.00 N ATOM 905 CA GLU A 57 -18.827 -2.305 3.980 1.00 0.00 C ATOM 906 C GLU A 57 -18.055 -1.040 3.616 1.00 0.00 C ATOM 907 O GLU A 57 -17.756 -0.209 4.476 1.00 0.00 O ATOM 908 CB GLU A 57 -17.883 -3.507 4.010 1.00 0.00 C ATOM 909 CG GLU A 57 -18.568 -4.803 4.414 1.00 0.00 C ATOM 910 CD GLU A 57 -17.669 -6.013 4.258 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.601 -6.562 3.138 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.036 -6.415 5.256 1.00 0.00 O ATOM 0 H GLU A 57 -19.738 -3.307 2.376 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.261 -2.166 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.436 -3.633 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.069 -3.303 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.894 -4.729 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.463 -4.940 3.808 1.00 0.00 H new ATOM 919 N LEU A 58 -17.729 -0.906 2.335 1.00 0.00 N ATOM 920 CA LEU A 58 -17.002 0.258 1.849 1.00 0.00 C ATOM 921 C LEU A 58 -17.801 1.528 2.130 1.00 0.00 C ATOM 922 O LEU A 58 -17.236 2.610 2.282 1.00 0.00 O ATOM 923 CB LEU A 58 -16.730 0.105 0.343 1.00 0.00 C ATOM 924 CG LEU A 58 -15.652 1.023 -0.260 1.00 0.00 C ATOM 925 CD1 LEU A 58 -16.191 2.428 -0.480 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.409 1.058 0.616 1.00 0.00 C ATOM 0 H LEU A 58 -17.958 -1.591 1.615 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.047 0.334 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.442 -0.929 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.664 0.280 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.372 0.610 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.408 3.055 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -17.039 2.390 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.513 2.848 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.665 1.714 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.672 1.433 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.999 0.052 0.706 1.00 0.00 H new ATOM 938 N GLY A 59 -19.121 1.377 2.222 1.00 0.00 N ATOM 939 CA GLY A 59 -19.979 2.515 2.493 1.00 0.00 C ATOM 940 C GLY A 59 -19.715 3.103 3.865 1.00 0.00 C ATOM 941 O GLY A 59 -20.082 4.244 4.143 1.00 0.00 O ATOM 0 H GLY A 59 -19.609 0.488 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.820 3.280 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.023 2.208 2.423 1.00 0.00 H new ATOM 945 N THR A 60 -19.076 2.311 4.721 1.00 0.00 N ATOM 946 CA THR A 60 -18.743 2.745 6.071 1.00 0.00 C ATOM 947 C THR A 60 -17.365 3.397 6.085 1.00 0.00 C ATOM 948 O THR A 60 -17.038 4.175 6.980 1.00 0.00 O ATOM 949 CB THR A 60 -18.757 1.565 7.063 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.012 0.879 6.988 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.525 2.048 8.487 1.00 0.00 C ATOM 0 H THR A 60 -18.778 1.361 4.501 1.00 0.00 H new ATOM 0 HA THR A 60 -19.499 3.466 6.382 1.00 0.00 H new ATOM 0 HB THR A 60 -17.951 0.884 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.013 0.130 7.619 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.540 1.196 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.557 2.546 8.549 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.312 2.749 8.766 1.00 0.00 H new ATOM 959 N ALA A 61 -16.560 3.061 5.083 1.00 0.00 N ATOM 960 CA ALA A 61 -15.219 3.618 4.961 1.00 0.00 C ATOM 961 C ALA A 61 -15.270 5.060 4.467 1.00 0.00 C ATOM 962 O ALA A 61 -14.595 5.936 5.009 1.00 0.00 O ATOM 963 CB ALA A 61 -14.379 2.768 4.020 1.00 0.00 C ATOM 0 H ALA A 61 -16.813 2.406 4.344 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.757 3.613 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.380 3.195 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.309 1.753 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.846 2.746 3.035 1.00 0.00 H new ATOM 969 N MET A 62 -16.072 5.299 3.433 1.00 0.00 N ATOM 970 CA MET A 62 -16.212 6.633 2.858 1.00 0.00 C ATOM 971 C MET A 62 -16.833 7.611 3.851 1.00 0.00 C ATOM 972 O MET A 62 -16.397 8.756 3.955 1.00 0.00 O ATOM 973 CB MET A 62 -17.061 6.578 1.588 1.00 0.00 C ATOM 974 CG MET A 62 -16.421 5.784 0.461 1.00 0.00 C ATOM 975 SD MET A 62 -14.894 6.533 -0.139 1.00 0.00 S ATOM 976 CE MET A 62 -15.503 8.105 -0.745 1.00 0.00 C ATOM 0 H MET A 62 -16.636 4.583 2.975 1.00 0.00 H new ATOM 0 HA MET A 62 -15.212 6.990 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.029 6.138 1.827 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.250 7.595 1.243 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.212 4.772 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.128 5.699 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.794 8.518 -1.462 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.467 7.958 -1.232 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.619 8.796 0.090 1.00 0.00 H new ATOM 986 N ARG A 63 -17.856 7.160 4.575 1.00 0.00 N ATOM 987 CA ARG A 63 -18.525 8.013 5.551 1.00 0.00 C ATOM 988 C ARG A 63 -17.538 8.493 6.610 1.00 0.00 C ATOM 989 O ARG A 63 -17.753 9.520 7.255 1.00 0.00 O ATOM 990 CB ARG A 63 -19.691 7.274 6.214 1.00 0.00 C ATOM 991 CG ARG A 63 -19.260 6.171 7.165 1.00 0.00 C ATOM 992 CD ARG A 63 -20.446 5.576 7.907 1.00 0.00 C ATOM 993 NE ARG A 63 -21.243 6.602 8.575 1.00 0.00 N ATOM 994 CZ ARG A 63 -21.766 6.458 9.789 1.00 0.00 C ATOM 995 NH1 ARG A 63 -21.566 5.341 10.476 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.488 7.435 10.322 1.00 0.00 N ATOM 0 H ARG A 63 -18.236 6.216 4.504 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.922 8.880 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.301 7.994 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.324 6.844 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -18.749 5.387 6.606 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.543 6.569 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.075 5.028 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.089 4.857 8.644 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.408 7.479 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -21.009 4.587 10.073 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.969 5.236 11.407 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.642 8.298 9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.889 7.323 11.253 1.00 0.00 H new ATOM 1010 N SER A 64 -16.454 7.741 6.780 1.00 0.00 N ATOM 1011 CA SER A 64 -15.424 8.089 7.752 1.00 0.00 C ATOM 1012 C SER A 64 -14.569 9.244 7.241 1.00 0.00 C ATOM 1013 O SER A 64 -13.533 9.569 7.823 1.00 0.00 O ATOM 1014 CB SER A 64 -14.536 6.877 8.044 1.00 0.00 C ATOM 1015 OG SER A 64 -13.560 7.185 9.023 1.00 0.00 O ATOM 0 H SER A 64 -16.267 6.886 6.256 1.00 0.00 H new ATOM 0 HA SER A 64 -15.918 8.399 8.673 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.151 6.046 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.046 6.552 7.126 1.00 0.00 H new ATOM 0 HG SER A 64 -13.371 8.146 9.005 1.00 0.00 H new ATOM 1021 N LEU A 65 -15.014 9.862 6.152 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.296 10.980 5.556 1.00 0.00 C ATOM 1023 C LEU A 65 -15.174 12.224 5.534 1.00 0.00 C ATOM 1024 O LEU A 65 -14.681 13.346 5.436 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.857 10.633 4.131 1.00 0.00 C ATOM 1026 CG LEU A 65 -13.194 9.263 3.963 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.843 9.020 2.504 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.953 9.151 4.837 1.00 0.00 C ATOM 0 H LEU A 65 -15.872 9.605 5.664 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.412 11.180 6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.729 10.678 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.162 11.399 3.786 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.903 8.499 4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.373 8.042 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.751 9.051 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.154 9.792 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.499 8.169 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.238 9.924 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.232 9.280 5.883 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.484 12.008 5.628 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.425 13.112 5.617 1.00 0.00 C ATOM 1042 C GLY A 66 -18.371 13.043 4.433 1.00 0.00 C ATOM 1043 O GLY A 66 -18.992 14.040 4.066 1.00 0.00 O ATOM 0 H GLY A 66 -16.910 11.085 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.001 13.106 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.878 14.054 5.589 1.00 0.00 H new ATOM 1047 N TYR A 67 -18.476 11.857 3.837 1.00 0.00 N ATOM 1048 CA TYR A 67 -19.352 11.647 2.689 1.00 0.00 C ATOM 1049 C TYR A 67 -20.182 10.379 2.873 1.00 0.00 C ATOM 1050 O TYR A 67 -19.637 9.277 2.931 1.00 0.00 O ATOM 1051 CB TYR A 67 -18.528 11.542 1.402 1.00 0.00 C ATOM 1052 CG TYR A 67 -17.454 12.600 1.278 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -17.776 13.908 0.940 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -16.119 12.288 1.501 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -16.796 14.876 0.827 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -15.133 13.251 1.389 1.00 0.00 C ATOM 1057 CZ TYR A 67 -15.477 14.543 1.053 1.00 0.00 C ATOM 1058 OH TYR A 67 -14.499 15.505 0.941 1.00 0.00 O ATOM 0 H TYR A 67 -17.964 11.026 4.132 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.025 12.501 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.062 10.558 1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.198 11.615 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -18.808 14.173 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.847 11.277 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -17.062 15.889 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.099 12.992 1.564 1.00 0.00 H new ATOM 0 HH TYR A 67 -13.625 15.106 1.133 1.00 0.00 H new ATOM 1068 N MET A 68 -21.498 10.540 2.968 1.00 0.00 N ATOM 1069 CA MET A 68 -22.396 9.404 3.151 1.00 0.00 C ATOM 1070 C MET A 68 -23.056 8.997 1.832 1.00 0.00 C ATOM 1071 O MET A 68 -24.017 9.630 1.396 1.00 0.00 O ATOM 1072 CB MET A 68 -23.475 9.743 4.184 1.00 0.00 C ATOM 1073 CG MET A 68 -22.945 9.876 5.603 1.00 0.00 C ATOM 1074 SD MET A 68 -21.842 11.288 5.811 1.00 0.00 S ATOM 1075 CE MET A 68 -22.950 12.646 5.440 1.00 0.00 C ATOM 0 H MET A 68 -21.966 11.445 2.921 1.00 0.00 H new ATOM 0 HA MET A 68 -21.800 8.564 3.509 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.959 10.677 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.241 8.968 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.785 9.973 6.291 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.414 8.964 5.874 1.00 0.00 H new ATOM 0 HE1 MET A 68 -22.758 13.470 6.127 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.785 12.981 4.416 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.982 12.314 5.552 1.00 0.00 H new ATOM 1085 N PRO A 69 -22.549 7.933 1.175 1.00 0.00 N ATOM 1086 CA PRO A 69 -23.107 7.453 -0.091 1.00 0.00 C ATOM 1087 C PRO A 69 -24.377 6.631 0.113 1.00 0.00 C ATOM 1088 O PRO A 69 -24.547 5.979 1.143 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.988 6.576 -0.650 1.00 0.00 C ATOM 1090 CG PRO A 69 -21.285 6.051 0.553 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.390 7.121 1.607 1.00 0.00 C ATOM 0 HA PRO A 69 -23.400 8.271 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.387 5.766 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.313 7.151 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.742 5.122 0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.242 5.829 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.549 6.693 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.481 7.720 1.661 1.00 0.00 H new ATOM 1099 N ASN A 70 -25.265 6.665 -0.878 1.00 0.00 N ATOM 1100 CA ASN A 70 -26.520 5.925 -0.805 1.00 0.00 C ATOM 1101 C ASN A 70 -26.431 4.606 -1.569 1.00 0.00 C ATOM 1102 O ASN A 70 -25.352 4.195 -1.993 1.00 0.00 O ATOM 1103 CB ASN A 70 -27.671 6.776 -1.345 1.00 0.00 C ATOM 1104 CG ASN A 70 -27.391 7.318 -2.728 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -26.856 6.618 -3.584 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -27.740 8.578 -2.949 1.00 0.00 N ATOM 0 H ASN A 70 -25.138 7.197 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.713 5.693 0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -28.581 6.176 -1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.856 7.606 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -27.566 9.003 -3.860 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -28.182 9.122 -2.208 1.00 0.00 H new ATOM 1113 N GLU A 71 -27.577 3.955 -1.743 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.647 2.670 -2.435 1.00 0.00 C ATOM 1115 C GLU A 71 -27.031 2.721 -3.835 1.00 0.00 C ATOM 1116 O GLU A 71 -26.287 1.820 -4.220 1.00 0.00 O ATOM 1117 CB GLU A 71 -29.103 2.206 -2.527 1.00 0.00 C ATOM 1118 CG GLU A 71 -30.031 3.224 -3.170 1.00 0.00 C ATOM 1119 CD GLU A 71 -31.445 2.702 -3.337 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.721 2.060 -4.372 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -32.274 2.935 -2.434 1.00 0.00 O ATOM 0 H GLU A 71 -28.478 4.299 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 71 -27.063 1.959 -1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -29.144 1.279 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -29.466 1.979 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -30.051 4.127 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.634 3.506 -4.145 1.00 0.00 H new ATOM 1128 N VAL A 72 -27.337 3.770 -4.594 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.818 3.896 -5.956 1.00 0.00 C ATOM 1130 C VAL A 72 -25.408 4.487 -5.985 1.00 0.00 C ATOM 1131 O VAL A 72 -24.687 4.339 -6.972 1.00 0.00 O ATOM 1132 CB VAL A 72 -27.752 4.753 -6.840 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -27.720 6.213 -6.414 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -27.383 4.611 -8.309 1.00 0.00 C ATOM 0 H VAL A 72 -27.936 4.539 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.774 2.884 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 72 -28.770 4.387 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -28.386 6.793 -7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -28.047 6.297 -5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -26.704 6.597 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.053 5.223 -8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -26.355 4.941 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -27.476 3.567 -8.608 1.00 0.00 H new ATOM 1144 N GLU A 73 -25.016 5.149 -4.902 1.00 0.00 N ATOM 1145 CA GLU A 73 -23.694 5.765 -4.823 1.00 0.00 C ATOM 1146 C GLU A 73 -22.590 4.721 -4.656 1.00 0.00 C ATOM 1147 O GLU A 73 -21.660 4.659 -5.460 1.00 0.00 O ATOM 1148 CB GLU A 73 -23.639 6.764 -3.666 1.00 0.00 C ATOM 1149 CG GLU A 73 -24.267 8.111 -3.990 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.528 8.849 -5.090 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.881 8.658 -6.273 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.599 9.618 -4.768 1.00 0.00 O ATOM 0 H GLU A 73 -25.591 5.273 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.524 6.288 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -24.147 6.335 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -22.599 6.918 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -25.304 7.961 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -24.282 8.727 -3.091 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.697 3.901 -3.614 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.693 2.874 -3.339 1.00 0.00 C ATOM 1161 C LEU A 74 -21.476 1.946 -4.534 1.00 0.00 C ATOM 1162 O LEU A 74 -20.499 1.199 -4.575 1.00 0.00 O ATOM 1163 CB LEU A 74 -22.081 2.059 -2.100 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.540 1.596 -2.036 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.788 0.447 -3.001 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.901 1.189 -0.614 1.00 0.00 C ATOM 0 H LEU A 74 -23.467 3.927 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.752 3.389 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.438 1.180 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.870 2.658 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 74 -24.178 2.428 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.831 0.136 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.568 0.772 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.143 -0.392 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.940 0.862 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.254 0.373 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.768 2.041 0.053 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.385 1.991 -5.503 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.278 1.143 -6.685 1.00 0.00 C ATOM 1180 C GLU A 75 -21.321 1.736 -7.717 1.00 0.00 C ATOM 1181 O GLU A 75 -20.588 1.005 -8.384 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.653 0.930 -7.318 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.621 0.167 -6.429 1.00 0.00 C ATOM 1184 CD GLU A 75 -25.960 -0.072 -7.098 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -26.059 -1.018 -7.906 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -26.909 0.690 -6.818 1.00 0.00 O ATOM 0 H GLU A 75 -23.201 2.603 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.877 0.182 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -24.085 1.900 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.532 0.389 -8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.179 -0.791 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -24.775 0.723 -5.504 1.00 0.00 H new ATOM 1193 N VAL A 76 -21.327 3.060 -7.848 1.00 0.00 N ATOM 1194 CA VAL A 76 -20.459 3.731 -8.812 1.00 0.00 C ATOM 1195 C VAL A 76 -19.056 3.946 -8.255 1.00 0.00 C ATOM 1196 O VAL A 76 -18.091 4.061 -9.010 1.00 0.00 O ATOM 1197 CB VAL A 76 -21.045 5.086 -9.257 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -22.412 4.893 -9.893 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -21.126 6.053 -8.086 1.00 0.00 C ATOM 0 H VAL A 76 -21.919 3.686 -7.303 1.00 0.00 H new ATOM 0 HA VAL A 76 -20.395 3.072 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 76 -20.378 5.517 -10.003 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.810 5.860 -10.201 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -22.320 4.245 -10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -23.088 4.436 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -21.542 7.001 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.766 5.632 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.128 6.219 -7.682 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.950 4.004 -6.933 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.663 4.207 -6.274 1.00 0.00 C ATOM 1211 C ILE A 77 -16.874 2.903 -6.177 1.00 0.00 C ATOM 1212 O ILE A 77 -15.643 2.911 -6.155 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.857 4.785 -4.860 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -18.651 6.088 -4.932 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -16.515 5.013 -4.180 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -19.664 6.235 -3.820 1.00 0.00 C ATOM 0 H ILE A 77 -19.740 3.913 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.100 4.915 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.418 4.064 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.959 6.929 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.166 6.139 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.677 5.422 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.981 4.066 -4.102 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.924 5.715 -4.768 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.192 7.182 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -20.379 5.413 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.153 6.216 -2.857 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.592 1.786 -6.126 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.964 0.474 -6.015 1.00 0.00 C ATOM 1230 C ILE A 78 -16.535 -0.071 -7.378 1.00 0.00 C ATOM 1231 O ILE A 78 -15.598 -0.866 -7.464 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.912 -0.532 -5.318 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.864 -0.336 -3.799 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.563 -1.971 -5.682 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.510 -0.636 -3.186 1.00 0.00 C ATOM 0 H ILE A 78 -18.611 1.763 -6.160 1.00 0.00 H new ATOM 0 HA ILE A 78 -16.068 0.600 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.926 -0.339 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.138 0.693 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.613 -0.978 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.248 -2.651 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.650 -2.105 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.541 -2.187 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.554 -0.475 -2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.241 -1.673 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.759 0.024 -3.621 1.00 0.00 H new ATOM 1247 N GLN A 79 -17.201 0.367 -8.442 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.871 -0.107 -9.782 1.00 0.00 C ATOM 1249 C GLN A 79 -15.594 0.553 -10.293 1.00 0.00 C ATOM 1250 O GLN A 79 -15.056 0.164 -11.330 1.00 0.00 O ATOM 1251 CB GLN A 79 -18.029 0.155 -10.748 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.445 1.613 -10.829 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.519 1.854 -11.872 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -20.777 1.719 -11.469 1.00 0.00 O flip ATOM 1255 NE2 GLN A 79 -19.221 2.154 -13.029 1.00 0.00 N flip ATOM 0 H GLN A 79 -17.965 1.042 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.702 -1.182 -9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.744 -0.187 -11.743 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.888 -0.441 -10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.810 1.938 -9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.573 2.224 -11.062 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.241 2.247 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.954 2.309 -13.721 1.00 0.00 H new ATOM 1264 N ARG A 80 -15.116 1.556 -9.562 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.898 2.264 -9.939 1.00 0.00 C ATOM 1266 C ARG A 80 -12.662 1.428 -9.616 1.00 0.00 C ATOM 1267 O ARG A 80 -11.786 1.245 -10.462 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.814 3.609 -9.212 1.00 0.00 C ATOM 1269 CG ARG A 80 -15.004 4.524 -9.462 1.00 0.00 C ATOM 1270 CD ARG A 80 -15.003 5.082 -10.877 1.00 0.00 C ATOM 1271 NE ARG A 80 -15.388 4.078 -11.865 1.00 0.00 N ATOM 1272 CZ ARG A 80 -15.482 4.322 -13.168 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -15.212 5.532 -13.642 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -15.846 3.356 -13.999 1.00 0.00 N ATOM 0 H ARG A 80 -15.554 1.896 -8.706 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.931 2.440 -11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.728 3.426 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.903 4.122 -9.522 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.928 3.973 -9.290 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.986 5.347 -8.747 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.689 5.927 -10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.010 5.462 -11.115 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.597 3.135 -11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.931 6.278 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.285 5.716 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.054 2.425 -13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.918 3.544 -14.999 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.599 0.926 -8.386 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.470 0.113 -7.944 1.00 0.00 C ATOM 1290 C LEU A 81 -11.620 -1.335 -8.401 1.00 0.00 C ATOM 1291 O LEU A 81 -10.648 -1.964 -8.820 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.340 0.160 -6.419 1.00 0.00 C ATOM 1293 CG LEU A 81 -10.879 1.501 -5.840 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.984 2.542 -5.942 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -10.437 1.329 -4.395 1.00 0.00 C ATOM 0 H LEU A 81 -13.318 1.068 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.568 0.527 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.306 -0.093 -5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.637 -0.612 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.028 1.853 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.634 3.486 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.253 2.685 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.857 2.201 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.112 2.290 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.271 0.954 -3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.611 0.619 -4.349 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.839 -1.859 -8.314 1.00 0.00 N ATOM 1308 CA ASP A 82 -13.117 -3.236 -8.712 1.00 0.00 C ATOM 1309 C ASP A 82 -12.939 -3.419 -10.220 1.00 0.00 C ATOM 1310 O ASP A 82 -13.910 -3.401 -10.977 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.537 -3.624 -8.295 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.856 -5.076 -8.588 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.961 -5.929 -8.412 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -16.005 -5.361 -8.986 1.00 0.00 O ATOM 0 H ASP A 82 -13.653 -1.349 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.405 -3.889 -8.207 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.662 -3.437 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.251 -2.987 -8.816 1.00 0.00 H new ATOM 1319 N MET A 83 -11.690 -3.598 -10.646 1.00 0.00 N ATOM 1320 CA MET A 83 -11.376 -3.778 -12.062 1.00 0.00 C ATOM 1321 C MET A 83 -11.707 -5.190 -12.539 1.00 0.00 C ATOM 1322 O MET A 83 -12.243 -5.372 -13.632 1.00 0.00 O ATOM 1323 CB MET A 83 -9.899 -3.473 -12.323 1.00 0.00 C ATOM 1324 CG MET A 83 -8.947 -4.226 -11.408 1.00 0.00 C ATOM 1325 SD MET A 83 -7.214 -3.953 -11.830 1.00 0.00 S ATOM 1326 CE MET A 83 -7.090 -2.178 -11.626 1.00 0.00 C ATOM 0 H MET A 83 -10.878 -3.622 -10.030 1.00 0.00 H new ATOM 0 HA MET A 83 -11.994 -3.079 -12.625 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.664 -3.719 -13.359 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.732 -2.402 -12.204 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.119 -3.916 -10.377 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.166 -5.292 -11.461 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.041 -1.893 -11.552 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.542 -1.681 -12.484 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.612 -1.879 -10.717 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.386 -6.186 -11.719 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.650 -7.577 -12.074 1.00 0.00 C ATOM 1338 C ASP A 84 -13.150 -7.862 -12.092 1.00 0.00 C ATOM 1339 O ASP A 84 -13.606 -8.803 -12.741 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.940 -8.518 -11.100 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.206 -8.160 -9.654 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -12.332 -8.412 -9.182 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -10.290 -7.625 -8.995 1.00 0.00 O ATOM 0 H ASP A 84 -10.945 -6.057 -10.808 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.261 -7.751 -13.077 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.267 -9.541 -11.284 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.867 -8.488 -11.287 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.910 -7.040 -11.372 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.353 -7.201 -11.328 1.00 0.00 C ATOM 1350 C GLY A 85 -15.809 -8.361 -10.462 1.00 0.00 C ATOM 1351 O GLY A 85 -16.771 -9.048 -10.800 1.00 0.00 O ATOM 0 H GLY A 85 -13.550 -6.263 -10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.802 -6.281 -10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.725 -7.347 -12.342 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.130 -8.579 -9.338 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.493 -9.671 -8.439 1.00 0.00 C ATOM 1357 C ASP A 86 -16.563 -9.229 -7.443 1.00 0.00 C ATOM 1358 O ASP A 86 -17.264 -10.060 -6.866 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.263 -10.185 -7.687 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.852 -9.271 -6.550 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -13.192 -8.247 -6.820 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.189 -9.581 -5.388 1.00 0.00 O ATOM 0 H ASP A 86 -14.334 -8.020 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.898 -10.479 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.472 -11.179 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.432 -10.288 -8.385 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.684 -7.917 -7.246 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.675 -7.393 -6.322 1.00 0.00 C ATOM 1369 C GLY A 87 -17.054 -6.753 -5.093 1.00 0.00 C ATOM 1370 O GLY A 87 -17.690 -5.940 -4.422 1.00 0.00 O ATOM 0 H GLY A 87 -16.114 -7.209 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.292 -6.656 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.337 -8.201 -6.010 1.00 0.00 H new ATOM 1374 N GLN A 88 -15.811 -7.120 -4.798 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.107 -6.575 -3.641 1.00 0.00 C ATOM 1376 C GLN A 88 -13.753 -5.999 -4.042 1.00 0.00 C ATOM 1377 O GLN A 88 -13.175 -6.390 -5.055 1.00 0.00 O ATOM 1378 CB GLN A 88 -14.916 -7.663 -2.582 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.217 -8.289 -2.109 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.003 -9.337 -1.034 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.014 -9.031 0.158 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -15.805 -10.582 -1.451 1.00 0.00 N ATOM 0 H GLN A 88 -15.270 -7.792 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.712 -5.769 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.274 -8.444 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.396 -7.236 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.873 -7.508 -1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.727 -8.744 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.804 -10.791 -2.449 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -15.654 -11.329 -0.773 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.254 -5.061 -3.242 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.964 -4.434 -3.510 1.00 0.00 C ATOM 1393 C VAL A 89 -10.836 -5.219 -2.850 1.00 0.00 C ATOM 1394 O VAL A 89 -10.838 -5.425 -1.636 1.00 0.00 O ATOM 1395 CB VAL A 89 -11.931 -2.978 -3.006 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.584 -2.336 -3.307 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.063 -2.173 -3.626 1.00 0.00 C ATOM 0 H VAL A 89 -13.723 -4.719 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 89 -11.823 -4.434 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.069 -2.985 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.581 -1.308 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.794 -2.899 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.411 -2.340 -4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.024 -1.148 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.958 -2.174 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.019 -2.620 -3.353 1.00 0.00 H new ATOM 1407 N ASP A 90 -9.872 -5.654 -3.655 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.741 -6.422 -3.148 1.00 0.00 C ATOM 1409 C ASP A 90 -7.605 -5.506 -2.707 1.00 0.00 C ATOM 1410 O ASP A 90 -7.432 -4.412 -3.247 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.242 -7.402 -4.209 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.275 -8.457 -4.553 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -10.126 -8.194 -5.428 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.232 -9.548 -3.946 1.00 0.00 O ATOM 0 H ASP A 90 -9.852 -5.488 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.083 -6.984 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.975 -6.852 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.334 -7.889 -3.852 1.00 0.00 H new ATOM 1419 N PHE A 91 -6.838 -5.960 -1.720 1.00 0.00 N ATOM 1420 CA PHE A 91 -5.716 -5.189 -1.192 1.00 0.00 C ATOM 1421 C PHE A 91 -4.845 -4.615 -2.309 1.00 0.00 C ATOM 1422 O PHE A 91 -4.587 -3.413 -2.345 1.00 0.00 O ATOM 1423 CB PHE A 91 -4.868 -6.069 -0.271 1.00 0.00 C ATOM 1424 CG PHE A 91 -3.616 -5.399 0.222 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.675 -4.438 1.220 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.381 -5.730 -0.312 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.525 -3.821 1.672 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.228 -5.116 0.138 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.301 -4.159 1.132 1.00 0.00 C ATOM 0 H PHE A 91 -6.974 -6.864 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.125 -4.351 -0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.471 -6.369 0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.596 -6.980 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.630 -4.169 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.319 -6.477 -1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.584 -3.073 2.449 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.272 -5.384 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.402 -3.676 1.486 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.401 -5.482 -3.216 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.546 -5.067 -4.329 1.00 0.00 C ATOM 1441 C GLU A 92 -4.117 -3.858 -5.066 1.00 0.00 C ATOM 1442 O GLU A 92 -3.439 -2.844 -5.231 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.355 -6.229 -5.307 1.00 0.00 C ATOM 1444 CG GLU A 92 -2.751 -7.469 -4.667 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.524 -8.589 -5.664 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.446 -9.409 -5.855 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.423 -8.646 -6.252 1.00 0.00 O ATOM 0 H GLU A 92 -4.619 -6.478 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.582 -4.777 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.320 -6.488 -5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.713 -5.903 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.802 -7.206 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.410 -7.822 -3.874 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.359 -3.972 -5.517 1.00 0.00 N ATOM 1455 CA GLU A 93 -6.015 -2.888 -6.245 1.00 0.00 C ATOM 1456 C GLU A 93 -5.932 -1.560 -5.490 1.00 0.00 C ATOM 1457 O GLU A 93 -5.783 -0.499 -6.101 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.479 -3.247 -6.505 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.656 -4.511 -7.329 1.00 0.00 C ATOM 1460 CD GLU A 93 -9.106 -4.946 -7.429 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.802 -4.482 -8.355 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.543 -5.751 -6.581 1.00 0.00 O ATOM 0 H GLU A 93 -5.935 -4.804 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.491 -2.763 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.990 -3.371 -5.550 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.963 -2.417 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.261 -4.345 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.070 -5.315 -6.884 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.020 -1.619 -4.164 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.976 -0.414 -3.340 1.00 0.00 C ATOM 1471 C PHE A 94 -4.545 -0.036 -2.953 1.00 0.00 C ATOM 1472 O PHE A 94 -4.284 1.103 -2.565 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.826 -0.604 -2.080 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.911 0.624 -1.217 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.587 1.752 -1.657 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.316 0.651 0.035 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.666 2.883 -0.866 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.392 1.779 0.831 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.069 2.896 0.380 1.00 0.00 C ATOM 0 H PHE A 94 -6.122 -2.487 -3.638 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.384 0.403 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.833 -0.902 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.410 -1.422 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -8.057 1.747 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.787 -0.220 0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.194 3.756 -1.222 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -5.923 1.787 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.131 3.778 1.000 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.619 -0.985 -3.060 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.229 -0.722 -2.703 1.00 0.00 C ATOM 1491 C VAL A 95 -1.526 0.086 -3.790 1.00 0.00 C ATOM 1492 O VAL A 95 -0.568 0.809 -3.516 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.444 -2.029 -2.439 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.821 -2.575 -3.718 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.377 -1.801 -1.380 1.00 0.00 C ATOM 0 H VAL A 95 -3.803 -1.933 -3.387 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.247 -0.141 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.150 -2.774 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.278 -3.493 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.606 -2.785 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.133 -1.837 -4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.167 -2.730 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.317 -1.033 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.849 -1.477 -0.452 1.00 0.00 H new ATOM 1505 N THR A 96 -2.006 -0.045 -5.024 1.00 0.00 N ATOM 1506 CA THR A 96 -1.425 0.676 -6.150 1.00 0.00 C ATOM 1507 C THR A 96 -1.992 2.089 -6.250 1.00 0.00 C ATOM 1508 O THR A 96 -1.255 3.045 -6.492 1.00 0.00 O ATOM 1509 CB THR A 96 -1.677 -0.064 -7.477 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.228 -1.420 -7.375 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.958 0.624 -8.628 1.00 0.00 C ATOM 0 H THR A 96 -2.795 -0.643 -5.268 1.00 0.00 H new ATOM 0 HA THR A 96 -0.351 0.732 -5.972 1.00 0.00 H new ATOM 0 HB THR A 96 -2.749 -0.048 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.393 -1.884 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.152 0.082 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.321 1.647 -8.724 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.114 0.636 -8.432 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.304 2.214 -6.064 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.963 3.515 -6.137 1.00 0.00 C ATOM 1521 C LEU A 97 -3.559 4.401 -4.963 1.00 0.00 C ATOM 1522 O LEU A 97 -3.787 5.610 -4.978 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.484 3.344 -6.159 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.045 2.653 -7.404 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.542 2.435 -7.265 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.741 3.470 -8.651 1.00 0.00 C ATOM 0 H LEU A 97 -3.929 1.434 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.645 3.999 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.782 2.772 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.945 4.328 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.563 1.680 -7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.923 1.943 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.739 1.809 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.040 3.397 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.147 2.963 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.195 4.457 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.662 3.577 -8.762 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.954 3.792 -3.948 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.519 4.526 -2.764 1.00 0.00 C ATOM 1540 C LEU A 98 -0.997 4.587 -2.693 1.00 0.00 C ATOM 1541 O LEU A 98 -0.429 5.530 -2.141 1.00 0.00 O ATOM 1542 CB LEU A 98 -3.082 3.870 -1.501 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.674 4.531 -0.181 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -3.827 4.487 0.809 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -1.447 3.847 0.404 1.00 0.00 C ATOM 0 H LEU A 98 -2.754 2.792 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.899 5.545 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.170 3.869 -1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.763 2.828 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.424 5.573 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.523 4.960 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.683 5.019 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.103 3.450 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.173 4.331 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.670 2.796 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.618 3.923 -0.300 1.00 0.00 H new ATOM 1557 N GLY A 99 -0.345 3.577 -3.256 1.00 0.00 N ATOM 1558 CA GLY A 99 1.105 3.533 -3.247 1.00 0.00 C ATOM 1559 C GLY A 99 1.683 3.233 -4.618 1.00 0.00 C ATOM 1560 O GLY A 99 2.147 2.121 -4.864 1.00 0.00 O ATOM 0 H GLY A 99 -0.795 2.787 -3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.493 4.488 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.438 2.773 -2.541 1.00 0.00 H new ATOM 1564 N PRO A 100 1.663 4.215 -5.540 1.00 0.00 N ATOM 1565 CA PRO A 100 2.193 4.037 -6.897 1.00 0.00 C ATOM 1566 C PRO A 100 3.664 3.632 -6.892 1.00 0.00 C ATOM 1567 O PRO A 100 3.941 2.416 -6.957 1.00 0.00 O ATOM 1568 CB PRO A 100 2.019 5.418 -7.540 1.00 0.00 C ATOM 1569 CG PRO A 100 0.961 6.089 -6.734 1.00 0.00 C ATOM 1570 CD PRO A 100 1.121 5.571 -5.334 1.00 0.00 C ATOM 1571 OXT PRO A 100 4.527 4.532 -6.820 1.00 0.00 O ATOM 0 HA PRO A 100 1.677 3.240 -7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.950 5.984 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 100 1.723 5.332 -8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.074 7.173 -6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.031 5.861 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 100 1.800 6.192 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.170 5.549 -4.801 1.00 0.00 H new TER 1579 PRO A 100 HETATM 1580 CA CA A 201 -16.099 -8.559 3.695 1.00 0.00 CA HETATM 1581 CA CA A 202 -11.746 -6.280 -7.465 1.00 0.00 CA