USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 491 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 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.00017) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0951 X(o=-0.095,f=-0.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -3.55! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.12 K(o=-0.12,f=-1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -4:sc= -1.64 USER MOD Single : A 46 SER OG : rot 170:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 6.500 -5.147 -7.487 1.00 0.00 N ATOM 42 CA LEU A 4 7.539 -6.149 -7.699 1.00 0.00 C ATOM 43 C LEU A 4 8.451 -5.752 -8.855 1.00 0.00 C ATOM 44 O LEU A 4 8.017 -5.102 -9.806 1.00 0.00 O ATOM 45 CB LEU A 4 6.908 -7.515 -7.978 1.00 0.00 C ATOM 46 CG LEU A 4 5.625 -7.504 -8.811 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.916 -7.053 -10.234 1.00 0.00 C ATOM 48 CD2 LEU A 4 4.976 -8.880 -8.807 1.00 0.00 C ATOM 0 HA LEU A 4 8.140 -6.211 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.644 -8.135 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.694 -7.996 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 4 4.929 -6.795 -8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.992 -7.052 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.336 -6.047 -10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.630 -7.737 -10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.065 -8.854 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.667 -9.609 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.731 -9.164 -7.783 1.00 0.00 H new ATOM 60 N ARG A 5 9.716 -6.149 -8.767 1.00 0.00 N ATOM 61 CA ARG A 5 10.690 -5.836 -9.806 1.00 0.00 C ATOM 62 C ARG A 5 11.968 -6.646 -9.616 1.00 0.00 C ATOM 63 O ARG A 5 12.018 -7.564 -8.797 1.00 0.00 O ATOM 64 CB ARG A 5 11.014 -4.341 -9.797 1.00 0.00 C ATOM 65 CG ARG A 5 11.878 -3.913 -8.622 1.00 0.00 C ATOM 66 CD ARG A 5 12.128 -2.413 -8.631 1.00 0.00 C ATOM 67 NE ARG A 5 12.660 -1.955 -9.911 1.00 0.00 N ATOM 68 CZ ARG A 5 12.658 -0.683 -10.295 1.00 0.00 C ATOM 69 NH1 ARG A 5 12.156 0.252 -9.500 1.00 0.00 N ATOM 70 NH2 ARG A 5 13.160 -0.344 -11.476 1.00 0.00 N ATOM 0 H ARG A 5 10.091 -6.688 -7.987 1.00 0.00 H new ATOM 0 HA ARG A 5 10.254 -6.100 -10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 5 11.524 -4.083 -10.725 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.082 -3.776 -9.777 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.391 -4.196 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.830 -4.442 -8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.196 -1.889 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.828 -2.157 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 5 13.055 -2.649 -10.545 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.770 -0.005 -8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.156 1.228 -9.797 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.548 -1.060 -12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.158 0.633 -11.770 1.00 0.00 H new ATOM 84 N VAL A 6 13.001 -6.300 -10.378 1.00 0.00 N ATOM 85 CA VAL A 6 14.280 -6.994 -10.293 1.00 0.00 C ATOM 86 C VAL A 6 15.168 -6.381 -9.216 1.00 0.00 C ATOM 87 O VAL A 6 15.436 -5.181 -9.227 1.00 0.00 O ATOM 88 CB VAL A 6 15.028 -6.961 -11.639 1.00 0.00 C ATOM 89 CG1 VAL A 6 15.217 -5.526 -12.109 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.367 -7.673 -11.522 1.00 0.00 C ATOM 0 H VAL A 6 12.977 -5.543 -11.061 1.00 0.00 H new ATOM 0 HA VAL A 6 14.061 -8.030 -10.033 1.00 0.00 H new ATOM 0 HB VAL A 6 14.427 -7.486 -12.382 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.747 -5.522 -13.061 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.243 -5.053 -12.234 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.796 -4.974 -11.369 1.00 0.00 H new ATOM 0 HG21 VAL A 6 16.882 -7.640 -12.482 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.977 -7.179 -10.766 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.203 -8.711 -11.234 1.00 0.00 H new ATOM 100 N GLY A 7 15.621 -7.215 -8.284 1.00 0.00 N ATOM 101 CA GLY A 7 16.474 -6.737 -7.212 1.00 0.00 C ATOM 102 C GLY A 7 15.817 -6.856 -5.852 1.00 0.00 C ATOM 103 O GLY A 7 16.494 -6.828 -4.822 1.00 0.00 O ATOM 0 H GLY A 7 15.412 -8.213 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.405 -7.303 -7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.734 -5.695 -7.396 1.00 0.00 H new ATOM 107 N LEU A 8 14.496 -6.988 -5.844 1.00 0.00 N ATOM 108 CA LEU A 8 13.746 -7.110 -4.599 1.00 0.00 C ATOM 109 C LEU A 8 14.274 -8.266 -3.756 1.00 0.00 C ATOM 110 O LEU A 8 14.194 -8.239 -2.528 1.00 0.00 O ATOM 111 CB LEU A 8 12.259 -7.317 -4.894 1.00 0.00 C ATOM 112 CG LEU A 8 11.837 -8.743 -5.248 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.377 -9.488 -4.004 1.00 0.00 C ATOM 114 CD2 LEU A 8 10.738 -8.729 -6.300 1.00 0.00 C ATOM 0 H LEU A 8 13.921 -7.013 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 8 13.873 -6.186 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.688 -6.996 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.978 -6.661 -5.718 1.00 0.00 H new ATOM 0 HG LEU A 8 12.700 -9.265 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.080 -10.501 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.193 -9.530 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.528 -8.968 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.450 -9.753 -6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.873 -8.190 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.103 -8.235 -7.200 1.00 0.00 H new ATOM 126 N CYS A 9 14.816 -9.279 -4.424 1.00 0.00 N ATOM 127 CA CYS A 9 15.359 -10.445 -3.736 1.00 0.00 C ATOM 128 C CYS A 9 16.377 -11.167 -4.613 1.00 0.00 C ATOM 129 O CYS A 9 16.332 -11.103 -5.841 1.00 0.00 O ATOM 130 CB CYS A 9 14.233 -11.403 -3.346 1.00 0.00 C ATOM 131 SG CYS A 9 13.487 -12.274 -4.744 1.00 0.00 S ATOM 0 H CYS A 9 14.891 -9.316 -5.441 1.00 0.00 H new ATOM 0 HA CYS A 9 15.863 -10.102 -2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.623 -12.137 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.457 -10.842 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 9 12.547 -13.062 -4.313 1.00 0.00 H new ATOM 137 N PRO A 10 17.320 -11.871 -3.968 1.00 0.00 N ATOM 138 CA PRO A 10 18.368 -12.618 -4.669 1.00 0.00 C ATOM 139 C PRO A 10 17.819 -13.838 -5.402 1.00 0.00 C ATOM 140 O PRO A 10 17.938 -14.966 -4.925 1.00 0.00 O ATOM 141 CB PRO A 10 19.310 -13.050 -3.542 1.00 0.00 C ATOM 142 CG PRO A 10 18.452 -13.083 -2.324 1.00 0.00 C ATOM 143 CD PRO A 10 17.434 -11.992 -2.505 1.00 0.00 C ATOM 0 HA PRO A 10 18.851 -12.017 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.748 -14.027 -3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 10 20.136 -12.349 -3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.968 -14.054 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.045 -12.918 -1.424 1.00 0.00 H new ATOM 0 HD2 PRO A 10 16.480 -12.253 -2.048 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.761 -11.058 -2.049 1.00 0.00 H new ATOM 151 N GLY A 11 17.218 -13.603 -6.564 1.00 0.00 N ATOM 152 CA GLY A 11 16.660 -14.693 -7.344 1.00 0.00 C ATOM 153 C GLY A 11 16.126 -14.231 -8.685 1.00 0.00 C ATOM 154 O GLY A 11 16.514 -14.756 -9.730 1.00 0.00 O ATOM 0 H GLY A 11 17.107 -12.678 -6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.426 -15.451 -7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.856 -15.166 -6.779 1.00 0.00 H new ATOM 158 N LEU A 12 15.232 -13.249 -8.658 1.00 0.00 N ATOM 159 CA LEU A 12 14.642 -12.718 -9.882 1.00 0.00 C ATOM 160 C LEU A 12 15.678 -11.951 -10.698 1.00 0.00 C ATOM 161 O LEU A 12 16.595 -11.343 -10.145 1.00 0.00 O ATOM 162 CB LEU A 12 13.462 -11.804 -9.547 1.00 0.00 C ATOM 163 CG LEU A 12 12.094 -12.481 -9.455 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.680 -13.036 -10.809 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.115 -13.585 -8.408 1.00 0.00 C ATOM 0 H LEU A 12 14.900 -12.804 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 12 14.286 -13.558 -10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.667 -11.313 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.408 -11.022 -10.304 1.00 0.00 H new ATOM 0 HG LEU A 12 11.360 -11.734 -9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.704 -13.514 -10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.624 -12.224 -11.534 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.415 -13.769 -11.142 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.133 -14.056 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.861 -14.331 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.365 -13.160 -7.436 1.00 0.00 H new ATOM 177 N THR A 13 15.524 -11.982 -12.018 1.00 0.00 N ATOM 178 CA THR A 13 16.445 -11.290 -12.911 1.00 0.00 C ATOM 179 C THR A 13 15.701 -10.330 -13.833 1.00 0.00 C ATOM 180 O THR A 13 14.490 -10.448 -14.018 1.00 0.00 O ATOM 181 CB THR A 13 17.252 -12.284 -13.768 1.00 0.00 C ATOM 182 OG1 THR A 13 16.407 -13.357 -14.199 1.00 0.00 O ATOM 183 CG2 THR A 13 18.429 -12.843 -12.983 1.00 0.00 C ATOM 0 H THR A 13 14.770 -12.479 -12.492 1.00 0.00 H new ATOM 0 HA THR A 13 17.131 -10.725 -12.280 1.00 0.00 H new ATOM 0 HB THR A 13 17.636 -11.752 -14.638 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.927 -13.984 -14.745 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.984 -13.542 -13.608 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.085 -12.027 -12.681 1.00 0.00 H new ATOM 0 HG23 THR A 13 18.062 -13.361 -12.097 1.00 0.00 H new ATOM 191 N GLU A 14 16.433 -9.381 -14.407 1.00 0.00 N ATOM 192 CA GLU A 14 15.840 -8.401 -15.310 1.00 0.00 C ATOM 193 C GLU A 14 15.174 -9.089 -16.498 1.00 0.00 C ATOM 194 O GLU A 14 14.226 -8.563 -17.080 1.00 0.00 O ATOM 195 CB GLU A 14 16.906 -7.421 -15.806 1.00 0.00 C ATOM 196 CG GLU A 14 16.401 -6.460 -16.869 1.00 0.00 C ATOM 197 CD GLU A 14 17.397 -5.360 -17.181 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.583 -5.513 -16.821 1.00 0.00 O ATOM 199 OE2 GLU A 14 16.990 -4.346 -17.786 1.00 0.00 O ATOM 0 H GLU A 14 17.437 -9.270 -14.263 1.00 0.00 H new ATOM 0 HA GLU A 14 15.079 -7.850 -14.758 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.283 -6.848 -14.959 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.747 -7.985 -16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 14 16.181 -7.015 -17.781 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.465 -6.013 -16.534 1.00 0.00 H new ATOM 206 N GLU A 15 15.678 -10.267 -16.851 1.00 0.00 N ATOM 207 CA GLU A 15 15.132 -11.026 -17.970 1.00 0.00 C ATOM 208 C GLU A 15 13.661 -11.358 -17.737 1.00 0.00 C ATOM 209 O GLU A 15 12.824 -11.174 -18.620 1.00 0.00 O ATOM 210 CB GLU A 15 15.930 -12.315 -18.179 1.00 0.00 C ATOM 211 CG GLU A 15 17.147 -12.139 -19.071 1.00 0.00 C ATOM 212 CD GLU A 15 16.777 -11.905 -20.523 1.00 0.00 C ATOM 213 OE1 GLU A 15 15.654 -12.281 -20.918 1.00 0.00 O ATOM 214 OE2 GLU A 15 17.612 -11.346 -21.264 1.00 0.00 O ATOM 0 H GLU A 15 16.463 -10.716 -16.379 1.00 0.00 H new ATOM 0 HA GLU A 15 15.210 -10.410 -18.866 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.252 -12.694 -17.209 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.276 -13.070 -18.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.738 -11.297 -18.710 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.777 -13.026 -18.999 1.00 0.00 H new ATOM 221 N MET A 16 13.354 -11.849 -16.540 1.00 0.00 N ATOM 222 CA MET A 16 11.984 -12.206 -16.190 1.00 0.00 C ATOM 223 C MET A 16 11.081 -10.977 -16.206 1.00 0.00 C ATOM 224 O MET A 16 9.891 -11.074 -16.508 1.00 0.00 O ATOM 225 CB MET A 16 11.943 -12.866 -14.810 1.00 0.00 C ATOM 226 CG MET A 16 12.115 -14.375 -14.853 1.00 0.00 C ATOM 227 SD MET A 16 12.958 -15.020 -13.395 1.00 0.00 S ATOM 228 CE MET A 16 12.827 -16.783 -13.680 1.00 0.00 C ATOM 0 H MET A 16 14.035 -12.008 -15.797 1.00 0.00 H new ATOM 0 HA MET A 16 11.618 -12.913 -16.934 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.728 -12.437 -14.188 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.992 -12.630 -14.332 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.136 -14.846 -14.940 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.680 -14.647 -15.745 1.00 0.00 H new ATOM 0 HE1 MET A 16 13.304 -17.320 -12.860 1.00 0.00 H new ATOM 0 HE2 MET A 16 11.776 -17.065 -13.736 1.00 0.00 H new ATOM 0 HE3 MET A 16 13.321 -17.038 -14.617 1.00 0.00 H new ATOM 238 N ILE A 17 11.653 -9.823 -15.879 1.00 0.00 N ATOM 239 CA ILE A 17 10.899 -8.576 -15.857 1.00 0.00 C ATOM 240 C ILE A 17 10.343 -8.245 -17.238 1.00 0.00 C ATOM 241 O ILE A 17 9.228 -7.741 -17.364 1.00 0.00 O ATOM 242 CB ILE A 17 11.767 -7.402 -15.370 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.486 -7.774 -14.072 1.00 0.00 C ATOM 244 CG2 ILE A 17 10.914 -6.158 -15.171 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.552 -8.226 -12.972 1.00 0.00 C ATOM 0 H ILE A 17 12.636 -9.726 -15.626 1.00 0.00 H new ATOM 0 HA ILE A 17 10.073 -8.719 -15.161 1.00 0.00 H new ATOM 0 HB ILE A 17 12.518 -7.186 -16.130 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.203 -8.569 -14.278 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.056 -6.913 -13.723 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.543 -5.337 -14.827 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.445 -5.884 -16.116 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.143 -6.361 -14.428 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.131 -8.473 -12.082 1.00 0.00 H new ATOM 0 HD12 ILE A 17 10.851 -7.425 -12.738 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.000 -9.106 -13.302 1.00 0.00 H new ATOM 257 N GLN A 18 11.129 -8.535 -18.271 1.00 0.00 N ATOM 258 CA GLN A 18 10.715 -8.269 -19.643 1.00 0.00 C ATOM 259 C GLN A 18 9.525 -9.141 -20.032 1.00 0.00 C ATOM 260 O GLN A 18 8.624 -8.698 -20.745 1.00 0.00 O ATOM 261 CB GLN A 18 11.878 -8.513 -20.606 1.00 0.00 C ATOM 262 CG GLN A 18 11.470 -8.496 -22.070 1.00 0.00 C ATOM 263 CD GLN A 18 10.918 -7.153 -22.506 1.00 0.00 C ATOM 264 OE1 GLN A 18 9.749 -7.039 -22.875 1.00 0.00 O ATOM 265 NE2 GLN A 18 11.759 -6.126 -22.467 1.00 0.00 N ATOM 0 H GLN A 18 12.055 -8.954 -18.183 1.00 0.00 H new ATOM 0 HA GLN A 18 10.412 -7.224 -19.708 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.641 -7.752 -20.441 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.334 -9.476 -20.376 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.333 -8.748 -22.687 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.719 -9.267 -22.243 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.720 -6.265 -22.154 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.444 -5.198 -22.750 1.00 0.00 H new ATOM 274 N LEU A 19 9.529 -10.382 -19.558 1.00 0.00 N ATOM 275 CA LEU A 19 8.450 -11.318 -19.856 1.00 0.00 C ATOM 276 C LEU A 19 7.126 -10.822 -19.285 1.00 0.00 C ATOM 277 O LEU A 19 6.085 -10.904 -19.938 1.00 0.00 O ATOM 278 CB LEU A 19 8.777 -12.701 -19.291 1.00 0.00 C ATOM 279 CG LEU A 19 9.678 -13.584 -20.155 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.373 -14.633 -19.303 1.00 0.00 C ATOM 281 CD2 LEU A 19 8.871 -14.244 -21.265 1.00 0.00 C ATOM 0 H LEU A 19 10.267 -10.764 -18.966 1.00 0.00 H new ATOM 0 HA LEU A 19 8.353 -11.389 -20.939 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.254 -12.571 -18.319 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.841 -13.231 -19.118 1.00 0.00 H new ATOM 0 HG LEU A 19 10.441 -12.954 -20.612 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.010 -15.252 -19.935 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.983 -14.141 -18.545 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.626 -15.260 -18.816 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.528 -14.869 -21.870 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.086 -14.861 -20.827 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.421 -13.476 -21.893 1.00 0.00 H new ATOM 293 N LEU A 20 7.172 -10.305 -18.062 1.00 0.00 N ATOM 294 CA LEU A 20 5.976 -9.793 -17.402 1.00 0.00 C ATOM 295 C LEU A 20 5.493 -8.510 -18.069 1.00 0.00 C ATOM 296 O LEU A 20 4.294 -8.319 -18.276 1.00 0.00 O ATOM 297 CB LEU A 20 6.258 -9.536 -15.920 1.00 0.00 C ATOM 298 CG LEU A 20 6.769 -10.732 -15.117 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.575 -10.263 -13.915 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.609 -11.611 -14.672 1.00 0.00 C ATOM 0 H LEU A 20 8.025 -10.229 -17.507 1.00 0.00 H new ATOM 0 HA LEU A 20 5.192 -10.545 -17.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.991 -8.733 -15.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.341 -9.176 -15.453 1.00 0.00 H new ATOM 0 HG LEU A 20 7.422 -11.323 -15.759 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.931 -11.128 -13.355 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.428 -9.676 -14.255 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.945 -9.649 -13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.992 -12.457 -14.102 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.931 -11.030 -14.047 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.073 -11.976 -15.548 1.00 0.00 H new ATOM 312 N ARG A 21 6.434 -7.634 -18.406 1.00 0.00 N ATOM 313 CA ARG A 21 6.104 -6.369 -19.052 1.00 0.00 C ATOM 314 C ARG A 21 5.414 -6.606 -20.392 1.00 0.00 C ATOM 315 O ARG A 21 4.617 -5.785 -20.846 1.00 0.00 O ATOM 316 CB ARG A 21 7.368 -5.532 -19.258 1.00 0.00 C ATOM 317 CG ARG A 21 7.116 -4.033 -19.234 1.00 0.00 C ATOM 318 CD ARG A 21 6.779 -3.502 -20.618 1.00 0.00 C ATOM 319 NE ARG A 21 7.105 -2.085 -20.756 1.00 0.00 N ATOM 320 CZ ARG A 21 6.755 -1.349 -21.805 1.00 0.00 C ATOM 321 NH1 ARG A 21 6.072 -1.893 -22.802 1.00 0.00 N ATOM 322 NH2 ARG A 21 7.088 -0.066 -21.857 1.00 0.00 N ATOM 0 H ARG A 21 7.431 -7.777 -18.243 1.00 0.00 H new ATOM 0 HA ARG A 21 5.419 -5.826 -18.401 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.090 -5.783 -18.481 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.820 -5.801 -20.213 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.297 -3.812 -18.549 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.999 -3.521 -18.852 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.325 -4.074 -21.368 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.717 -3.650 -20.814 1.00 0.00 H new ATOM 0 HE ARG A 21 7.630 -1.636 -20.006 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.814 -2.879 -22.765 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.805 -1.326 -23.606 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.613 0.356 -21.091 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.819 0.498 -22.663 1.00 0.00 H new ATOM 336 N SER A 22 5.727 -7.735 -21.021 1.00 0.00 N ATOM 337 CA SER A 22 5.141 -8.078 -22.312 1.00 0.00 C ATOM 338 C SER A 22 3.643 -8.332 -22.178 1.00 0.00 C ATOM 339 O SER A 22 2.863 -7.998 -23.070 1.00 0.00 O ATOM 340 CB SER A 22 5.829 -9.315 -22.895 1.00 0.00 C ATOM 341 OG SER A 22 5.566 -9.438 -24.282 1.00 0.00 O ATOM 0 H SER A 22 6.382 -8.427 -20.658 1.00 0.00 H new ATOM 0 HA SER A 22 5.290 -7.235 -22.987 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.904 -9.249 -22.730 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.481 -10.208 -22.375 1.00 0.00 H new ATOM 0 HG SER A 22 6.018 -10.235 -24.631 1.00 0.00 H new ATOM 347 N HIS A 23 3.247 -8.925 -21.056 1.00 0.00 N ATOM 348 CA HIS A 23 1.842 -9.223 -20.804 1.00 0.00 C ATOM 349 C HIS A 23 1.182 -8.100 -20.010 1.00 0.00 C ATOM 350 O HIS A 23 0.064 -8.248 -19.518 1.00 0.00 O ATOM 351 CB HIS A 23 1.707 -10.545 -20.047 1.00 0.00 C ATOM 352 CG HIS A 23 0.347 -11.162 -20.156 1.00 0.00 C ATOM 353 ND1 HIS A 23 -0.285 -11.382 -21.362 1.00 0.00 N ATOM 354 CD2 HIS A 23 -0.503 -11.607 -19.201 1.00 0.00 C ATOM 355 CE1 HIS A 23 -1.465 -11.935 -21.144 1.00 0.00 C ATOM 356 NE2 HIS A 23 -1.621 -12.083 -19.841 1.00 0.00 N ATOM 0 H HIS A 23 3.879 -9.208 -20.307 1.00 0.00 H new ATOM 0 HA HIS A 23 1.337 -9.310 -21.766 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.448 -11.249 -20.427 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.937 -10.377 -18.995 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.334 -11.591 -18.135 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.180 -12.218 -21.902 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -2.439 -12.486 -19.384 1.00 0.00 H new ATOM 364 N ARG A 24 1.883 -6.977 -19.889 1.00 0.00 N ATOM 365 CA ARG A 24 1.366 -5.829 -19.153 1.00 0.00 C ATOM 366 C ARG A 24 0.980 -6.224 -17.731 1.00 0.00 C ATOM 367 O ARG A 24 0.030 -5.684 -17.162 1.00 0.00 O ATOM 368 CB ARG A 24 0.155 -5.236 -19.876 1.00 0.00 C ATOM 369 CG ARG A 24 0.470 -4.723 -21.271 1.00 0.00 C ATOM 370 CD ARG A 24 1.103 -3.341 -21.226 1.00 0.00 C ATOM 371 NE ARG A 24 1.741 -2.990 -22.492 1.00 0.00 N ATOM 372 CZ ARG A 24 2.393 -1.850 -22.696 1.00 0.00 C ATOM 373 NH1 ARG A 24 2.492 -0.957 -21.721 1.00 0.00 N ATOM 374 NH2 ARG A 24 2.947 -1.603 -23.876 1.00 0.00 N ATOM 0 H ARG A 24 2.810 -6.838 -20.291 1.00 0.00 H new ATOM 0 HA ARG A 24 2.154 -5.077 -19.102 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.624 -5.995 -19.945 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.249 -4.418 -19.280 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.145 -5.417 -21.772 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.445 -4.686 -21.862 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.340 -2.600 -20.987 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.842 -3.307 -20.426 1.00 0.00 H new ATOM 0 HE ARG A 24 1.683 -3.656 -23.262 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.067 -1.144 -20.813 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.993 -0.083 -21.879 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.873 -2.288 -24.628 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.447 -0.728 -24.031 1.00 0.00 H new ATOM 388 N ILE A 25 1.722 -7.169 -17.163 1.00 0.00 N ATOM 389 CA ILE A 25 1.457 -7.635 -15.807 1.00 0.00 C ATOM 390 C ILE A 25 1.380 -6.468 -14.829 1.00 0.00 C ATOM 391 O ILE A 25 2.075 -5.464 -14.988 1.00 0.00 O ATOM 392 CB ILE A 25 2.540 -8.620 -15.329 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.567 -9.858 -16.228 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.295 -9.016 -13.881 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.339 -10.731 -16.091 1.00 0.00 C ATOM 0 H ILE A 25 2.511 -7.627 -17.620 1.00 0.00 H new ATOM 0 HA ILE A 25 0.496 -8.148 -15.832 1.00 0.00 H new ATOM 0 HB ILE A 25 3.510 -8.127 -15.391 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.664 -9.541 -17.266 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.452 -10.449 -15.992 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.069 -9.712 -13.558 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.321 -8.127 -13.251 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.319 -9.493 -13.794 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.427 -11.589 -16.757 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.252 -11.078 -15.061 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.452 -10.155 -16.356 1.00 0.00 H new ATOM 407 N LYS A 26 0.532 -6.607 -13.816 1.00 0.00 N ATOM 408 CA LYS A 26 0.366 -5.566 -12.809 1.00 0.00 C ATOM 409 C LYS A 26 1.364 -5.746 -11.670 1.00 0.00 C ATOM 410 O LYS A 26 2.258 -6.590 -11.741 1.00 0.00 O ATOM 411 CB LYS A 26 -1.062 -5.585 -12.258 1.00 0.00 C ATOM 412 CG LYS A 26 -1.860 -4.338 -12.595 1.00 0.00 C ATOM 413 CD LYS A 26 -1.838 -3.335 -11.453 1.00 0.00 C ATOM 414 CE LYS A 26 -2.801 -2.185 -11.702 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.098 -2.385 -10.999 1.00 0.00 N ATOM 0 H LYS A 26 -0.051 -7.431 -13.671 1.00 0.00 H new ATOM 0 HA LYS A 26 0.554 -4.603 -13.284 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.583 -6.457 -12.652 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.023 -5.700 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.452 -3.876 -13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.891 -4.614 -12.818 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.102 -3.837 -10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.828 -2.945 -11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.347 -1.252 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.980 -2.087 -12.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.726 -1.580 -11.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.544 -3.262 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.931 -2.453 -9.975 1.00 0.00 H new ATOM 429 N THR A 27 1.206 -4.949 -10.618 1.00 0.00 N ATOM 430 CA THR A 27 2.092 -5.021 -9.463 1.00 0.00 C ATOM 431 C THR A 27 1.851 -6.296 -8.664 1.00 0.00 C ATOM 432 O THR A 27 1.032 -7.133 -9.042 1.00 0.00 O ATOM 433 CB THR A 27 1.908 -3.804 -8.537 1.00 0.00 C ATOM 434 OG1 THR A 27 0.522 -3.634 -8.222 1.00 0.00 O ATOM 435 CG2 THR A 27 2.444 -2.540 -9.191 1.00 0.00 C ATOM 0 H THR A 27 0.472 -4.245 -10.542 1.00 0.00 H new ATOM 0 HA THR A 27 3.112 -5.024 -9.847 1.00 0.00 H new ATOM 0 HB THR A 27 2.469 -3.985 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.413 -2.859 -7.632 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.303 -1.694 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.506 -2.662 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.908 -2.356 -10.122 1.00 0.00 H new ATOM 443 N VAL A 28 2.570 -6.438 -7.554 1.00 0.00 N ATOM 444 CA VAL A 28 2.433 -7.611 -6.699 1.00 0.00 C ATOM 445 C VAL A 28 0.966 -7.926 -6.431 1.00 0.00 C ATOM 446 O VAL A 28 0.597 -9.082 -6.219 1.00 0.00 O ATOM 447 CB VAL A 28 3.159 -7.414 -5.355 1.00 0.00 C ATOM 448 CG1 VAL A 28 4.656 -7.256 -5.575 1.00 0.00 C ATOM 449 CG2 VAL A 28 2.591 -6.213 -4.615 1.00 0.00 C ATOM 0 H VAL A 28 3.253 -5.755 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 28 2.890 -8.446 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 28 2.998 -8.300 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.152 -7.118 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.049 -8.149 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.841 -6.388 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.115 -6.088 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.720 -5.317 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.530 -6.372 -4.424 1.00 0.00 H new ATOM 459 N VAL A 29 0.132 -6.891 -6.441 1.00 0.00 N ATOM 460 CA VAL A 29 -1.296 -7.057 -6.200 1.00 0.00 C ATOM 461 C VAL A 29 -1.903 -8.068 -7.168 1.00 0.00 C ATOM 462 O VAL A 29 -2.704 -8.916 -6.774 1.00 0.00 O ATOM 463 CB VAL A 29 -2.048 -5.720 -6.335 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.586 -4.739 -5.268 1.00 0.00 C ATOM 465 CG2 VAL A 29 -1.853 -5.137 -7.726 1.00 0.00 C ATOM 0 H VAL A 29 0.421 -5.928 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.403 -7.424 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.112 -5.905 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.128 -3.800 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.782 -5.157 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.517 -4.557 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.391 -4.192 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.791 -4.965 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.236 -5.835 -8.470 1.00 0.00 H new ATOM 475 N ASP A 30 -1.516 -7.971 -8.435 1.00 0.00 N ATOM 476 CA ASP A 30 -2.020 -8.878 -9.459 1.00 0.00 C ATOM 477 C ASP A 30 -1.420 -10.271 -9.295 1.00 0.00 C ATOM 478 O ASP A 30 -2.075 -11.277 -9.570 1.00 0.00 O ATOM 479 CB ASP A 30 -1.703 -8.334 -10.853 1.00 0.00 C ATOM 480 CG ASP A 30 -1.928 -9.364 -11.942 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.028 -9.955 -11.983 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.004 -9.580 -12.754 1.00 0.00 O ATOM 0 H ASP A 30 -0.855 -7.274 -8.777 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.101 -8.952 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.325 -7.461 -11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.666 -8.000 -10.882 1.00 0.00 H new ATOM 487 N LEU A 31 -0.171 -10.323 -8.847 1.00 0.00 N ATOM 488 CA LEU A 31 0.519 -11.592 -8.647 1.00 0.00 C ATOM 489 C LEU A 31 -0.304 -12.526 -7.764 1.00 0.00 C ATOM 490 O LEU A 31 -0.314 -13.740 -7.966 1.00 0.00 O ATOM 491 CB LEU A 31 1.892 -11.356 -8.016 1.00 0.00 C ATOM 492 CG LEU A 31 2.978 -12.371 -8.373 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.594 -13.758 -7.881 1.00 0.00 C ATOM 494 CD2 LEU A 31 3.224 -12.385 -9.875 1.00 0.00 C ATOM 0 H LEU A 31 0.385 -9.500 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 31 0.650 -12.063 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.239 -10.365 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.775 -11.345 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 31 3.902 -12.074 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.379 -14.467 -8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.470 -13.739 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.658 -14.063 -8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.000 -13.113 -10.110 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.303 -12.656 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.545 -11.395 -10.200 1.00 0.00 H new ATOM 506 N VAL A 32 -0.996 -11.950 -6.786 1.00 0.00 N ATOM 507 CA VAL A 32 -1.825 -12.729 -5.875 1.00 0.00 C ATOM 508 C VAL A 32 -2.817 -13.598 -6.640 1.00 0.00 C ATOM 509 O VAL A 32 -3.252 -14.640 -6.151 1.00 0.00 O ATOM 510 CB VAL A 32 -2.600 -11.819 -4.903 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.836 -11.246 -5.579 1.00 0.00 C ATOM 512 CG2 VAL A 32 -2.977 -12.584 -3.643 1.00 0.00 C ATOM 0 H VAL A 32 -0.999 -10.946 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.152 -13.368 -5.304 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.954 -10.989 -4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.371 -10.606 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.537 -10.661 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.488 -12.060 -5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.524 -11.926 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.605 -13.435 -3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.073 -12.940 -3.149 1.00 0.00 H new ATOM 522 N SER A 33 -3.169 -13.162 -7.845 1.00 0.00 N ATOM 523 CA SER A 33 -4.113 -13.898 -8.679 1.00 0.00 C ATOM 524 C SER A 33 -3.385 -14.654 -9.786 1.00 0.00 C ATOM 525 O SER A 33 -3.875 -15.665 -10.288 1.00 0.00 O ATOM 526 CB SER A 33 -5.140 -12.942 -9.289 1.00 0.00 C ATOM 527 OG SER A 33 -6.315 -12.883 -8.498 1.00 0.00 O ATOM 0 H SER A 33 -2.815 -12.303 -8.266 1.00 0.00 H new ATOM 0 HA SER A 33 -4.630 -14.621 -8.048 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.707 -11.946 -9.377 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.393 -13.270 -10.297 1.00 0.00 H new ATOM 0 HG SER A 33 -6.955 -12.264 -8.908 1.00 0.00 H new ATOM 533 N ALA A 34 -2.211 -14.156 -10.161 1.00 0.00 N ATOM 534 CA ALA A 34 -1.414 -14.784 -11.207 1.00 0.00 C ATOM 535 C ALA A 34 -1.188 -16.263 -10.911 1.00 0.00 C ATOM 536 O ALA A 34 -1.517 -16.746 -9.827 1.00 0.00 O ATOM 537 CB ALA A 34 -0.082 -14.064 -11.360 1.00 0.00 C ATOM 0 H ALA A 34 -1.791 -13.319 -9.756 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.965 -14.708 -12.145 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.503 -14.544 -12.145 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.260 -13.022 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.467 -14.110 -10.419 1.00 0.00 H new ATOM 543 N ASP A 35 -0.625 -16.976 -11.880 1.00 0.00 N ATOM 544 CA ASP A 35 -0.354 -18.400 -11.723 1.00 0.00 C ATOM 545 C ASP A 35 1.081 -18.633 -11.261 1.00 0.00 C ATOM 546 O ASP A 35 1.850 -19.336 -11.918 1.00 0.00 O ATOM 547 CB ASP A 35 -0.605 -19.137 -13.039 1.00 0.00 C ATOM 548 CG ASP A 35 -2.067 -19.126 -13.439 1.00 0.00 C ATOM 549 OD1 ASP A 35 -2.594 -18.033 -13.736 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.685 -20.211 -13.457 1.00 0.00 O ATOM 0 H ASP A 35 -0.347 -16.591 -12.783 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.029 -18.791 -10.962 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.012 -18.676 -13.829 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.265 -20.168 -12.945 1.00 0.00 H new ATOM 555 N LEU A 36 1.436 -18.037 -10.128 1.00 0.00 N ATOM 556 CA LEU A 36 2.780 -18.178 -9.578 1.00 0.00 C ATOM 557 C LEU A 36 3.132 -19.648 -9.369 1.00 0.00 C ATOM 558 O LEU A 36 4.274 -20.057 -9.571 1.00 0.00 O ATOM 559 CB LEU A 36 2.892 -17.422 -8.253 1.00 0.00 C ATOM 560 CG LEU A 36 4.287 -16.915 -7.885 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.244 -18.081 -7.687 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.810 -15.969 -8.956 1.00 0.00 C ATOM 0 H LEU A 36 0.812 -17.452 -9.572 1.00 0.00 H new ATOM 0 HA LEU A 36 3.485 -17.753 -10.293 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.214 -16.569 -8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.542 -18.076 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 36 4.217 -16.366 -6.946 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.232 -17.701 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.877 -18.720 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.310 -18.658 -8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.804 -15.618 -8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.865 -16.494 -9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.137 -15.117 -9.049 1.00 0.00 H new ATOM 574 N GLU A 37 2.140 -20.437 -8.966 1.00 0.00 N ATOM 575 CA GLU A 37 2.346 -21.861 -8.732 1.00 0.00 C ATOM 576 C GLU A 37 2.791 -22.564 -10.011 1.00 0.00 C ATOM 577 O GLU A 37 3.701 -23.392 -9.992 1.00 0.00 O ATOM 578 CB GLU A 37 1.062 -22.504 -8.204 1.00 0.00 C ATOM 579 CG GLU A 37 -0.144 -22.283 -9.102 1.00 0.00 C ATOM 580 CD GLU A 37 -1.458 -22.428 -8.361 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.570 -23.352 -7.527 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.375 -21.619 -8.613 1.00 0.00 O ATOM 0 H GLU A 37 1.188 -20.114 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 37 3.133 -21.970 -7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.224 -23.575 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.845 -22.103 -7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.087 -21.287 -9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.115 -22.997 -9.925 1.00 0.00 H new ATOM 589 N GLU A 38 2.141 -22.228 -11.121 1.00 0.00 N ATOM 590 CA GLU A 38 2.469 -22.828 -12.409 1.00 0.00 C ATOM 591 C GLU A 38 3.770 -22.253 -12.962 1.00 0.00 C ATOM 592 O GLU A 38 4.657 -22.992 -13.389 1.00 0.00 O ATOM 593 CB GLU A 38 1.333 -22.599 -13.408 1.00 0.00 C ATOM 594 CG GLU A 38 0.061 -23.356 -13.066 1.00 0.00 C ATOM 595 CD GLU A 38 -0.858 -23.523 -14.262 1.00 0.00 C ATOM 596 OE1 GLU A 38 -0.606 -22.872 -15.298 1.00 0.00 O ATOM 597 OE2 GLU A 38 -1.827 -24.303 -14.161 1.00 0.00 O ATOM 0 H GLU A 38 1.385 -21.544 -11.154 1.00 0.00 H new ATOM 0 HA GLU A 38 2.600 -23.899 -12.258 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.110 -21.533 -13.454 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.668 -22.898 -14.401 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.322 -24.339 -12.673 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.471 -22.827 -12.275 1.00 0.00 H new ATOM 604 N VAL A 39 3.876 -20.928 -12.951 1.00 0.00 N ATOM 605 CA VAL A 39 5.068 -20.252 -13.450 1.00 0.00 C ATOM 606 C VAL A 39 6.314 -20.709 -12.700 1.00 0.00 C ATOM 607 O VAL A 39 7.360 -20.949 -13.301 1.00 0.00 O ATOM 608 CB VAL A 39 4.939 -18.722 -13.327 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.190 -18.036 -13.855 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.701 -18.231 -14.062 1.00 0.00 C ATOM 0 H VAL A 39 3.151 -20.301 -12.602 1.00 0.00 H new ATOM 0 HA VAL A 39 5.164 -20.517 -14.503 1.00 0.00 H new ATOM 0 HB VAL A 39 4.832 -18.468 -12.273 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.080 -16.956 -13.760 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.056 -18.365 -13.280 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.332 -18.295 -14.904 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.626 -17.148 -13.965 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.775 -18.496 -15.117 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.814 -18.697 -13.632 1.00 0.00 H new ATOM 620 N ALA A 40 6.193 -20.826 -11.381 1.00 0.00 N ATOM 621 CA ALA A 40 7.309 -21.257 -10.548 1.00 0.00 C ATOM 622 C ALA A 40 7.859 -22.600 -11.017 1.00 0.00 C ATOM 623 O ALA A 40 9.072 -22.788 -11.102 1.00 0.00 O ATOM 624 CB ALA A 40 6.878 -21.340 -9.091 1.00 0.00 C ATOM 0 H ALA A 40 5.334 -20.628 -10.867 1.00 0.00 H new ATOM 0 HA ALA A 40 8.105 -20.518 -10.639 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.721 -21.663 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.541 -20.359 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.063 -22.057 -8.993 1.00 0.00 H new ATOM 630 N GLN A 41 6.958 -23.530 -11.318 1.00 0.00 N ATOM 631 CA GLN A 41 7.354 -24.856 -11.777 1.00 0.00 C ATOM 632 C GLN A 41 7.952 -24.791 -13.178 1.00 0.00 C ATOM 633 O GLN A 41 8.918 -25.490 -13.486 1.00 0.00 O ATOM 634 CB GLN A 41 6.153 -25.802 -11.766 1.00 0.00 C ATOM 635 CG GLN A 41 5.968 -26.536 -10.447 1.00 0.00 C ATOM 636 CD GLN A 41 5.346 -27.906 -10.623 1.00 0.00 C ATOM 637 OE1 GLN A 41 5.625 -28.607 -11.596 1.00 0.00 O ATOM 638 NE2 GLN A 41 4.496 -28.297 -9.680 1.00 0.00 N ATOM 0 H GLN A 41 5.950 -23.390 -11.252 1.00 0.00 H new ATOM 0 HA GLN A 41 8.114 -25.237 -11.095 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.250 -25.232 -11.985 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.270 -26.533 -12.566 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.935 -26.641 -9.955 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.339 -25.938 -9.788 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.293 -27.684 -8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.046 -29.210 -9.746 1.00 0.00 H new ATOM 647 N LYS A 42 7.372 -23.947 -14.025 1.00 0.00 N ATOM 648 CA LYS A 42 7.847 -23.789 -15.395 1.00 0.00 C ATOM 649 C LYS A 42 9.296 -23.313 -15.416 1.00 0.00 C ATOM 650 O LYS A 42 10.126 -23.853 -16.149 1.00 0.00 O ATOM 651 CB LYS A 42 6.962 -22.797 -16.152 1.00 0.00 C ATOM 652 CG LYS A 42 5.597 -23.355 -16.517 1.00 0.00 C ATOM 653 CD LYS A 42 4.888 -22.474 -17.532 1.00 0.00 C ATOM 654 CE LYS A 42 4.399 -21.179 -16.901 1.00 0.00 C ATOM 655 NZ LYS A 42 3.639 -20.342 -17.870 1.00 0.00 N ATOM 0 H LYS A 42 6.572 -23.361 -13.787 1.00 0.00 H new ATOM 0 HA LYS A 42 7.795 -24.761 -15.886 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.829 -21.903 -15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.474 -22.488 -17.063 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.710 -24.360 -16.923 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.986 -23.441 -15.619 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.566 -22.246 -18.354 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.042 -23.015 -17.957 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.765 -21.409 -16.045 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.252 -20.614 -16.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.323 -19.469 -17.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.251 -20.101 -18.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.811 -20.871 -18.211 1.00 0.00 H new ATOM 669 N CYS A 43 9.594 -22.302 -14.607 1.00 0.00 N ATOM 670 CA CYS A 43 10.944 -21.755 -14.533 1.00 0.00 C ATOM 671 C CYS A 43 11.819 -22.589 -13.603 1.00 0.00 C ATOM 672 O CYS A 43 13.043 -22.597 -13.727 1.00 0.00 O ATOM 673 CB CYS A 43 10.902 -20.304 -14.050 1.00 0.00 C ATOM 674 SG CYS A 43 10.195 -20.096 -12.399 1.00 0.00 S ATOM 0 H CYS A 43 8.919 -21.845 -13.994 1.00 0.00 H new ATOM 0 HA CYS A 43 11.378 -21.785 -15.533 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.915 -19.902 -14.053 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.322 -19.713 -14.759 1.00 0.00 H new ATOM 0 HG CYS A 43 9.767 -21.243 -11.963 1.00 0.00 H new ATOM 680 N GLY A 44 11.182 -23.289 -12.669 1.00 0.00 N ATOM 681 CA GLY A 44 11.917 -24.115 -11.730 1.00 0.00 C ATOM 682 C GLY A 44 12.370 -23.341 -10.508 1.00 0.00 C ATOM 683 O GLY A 44 13.453 -23.585 -9.975 1.00 0.00 O ATOM 0 H GLY A 44 10.169 -23.298 -12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.289 -24.949 -11.416 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.787 -24.541 -12.229 1.00 0.00 H new ATOM 687 N LEU A 45 11.540 -22.404 -10.063 1.00 0.00 N ATOM 688 CA LEU A 45 11.861 -21.589 -8.896 1.00 0.00 C ATOM 689 C LEU A 45 11.259 -22.191 -7.630 1.00 0.00 C ATOM 690 O LEU A 45 10.503 -23.160 -7.690 1.00 0.00 O ATOM 691 CB LEU A 45 11.347 -20.161 -9.089 1.00 0.00 C ATOM 692 CG LEU A 45 12.268 -19.216 -9.861 1.00 0.00 C ATOM 693 CD1 LEU A 45 11.552 -17.911 -10.175 1.00 0.00 C ATOM 694 CD2 LEU A 45 13.542 -18.950 -9.073 1.00 0.00 C ATOM 0 H LEU A 45 10.640 -22.190 -10.492 1.00 0.00 H new ATOM 0 HA LEU A 45 12.945 -21.566 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.390 -20.208 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.156 -19.729 -8.107 1.00 0.00 H new ATOM 0 HG LEU A 45 12.540 -19.694 -10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.223 -17.251 -10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 45 10.669 -18.117 -10.780 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.250 -17.429 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.185 -18.275 -9.638 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.289 -18.494 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 45 14.066 -19.890 -8.900 1.00 0.00 H new ATOM 706 N SER A 46 11.600 -21.609 -6.484 1.00 0.00 N ATOM 707 CA SER A 46 11.095 -22.089 -5.203 1.00 0.00 C ATOM 708 C SER A 46 9.901 -21.257 -4.744 1.00 0.00 C ATOM 709 O SER A 46 10.053 -20.107 -4.330 1.00 0.00 O ATOM 710 CB SER A 46 12.200 -22.043 -4.146 1.00 0.00 C ATOM 711 OG SER A 46 13.097 -23.129 -4.298 1.00 0.00 O ATOM 0 H SER A 46 12.224 -20.805 -6.417 1.00 0.00 H new ATOM 0 HA SER A 46 10.769 -23.121 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.746 -21.103 -4.226 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.757 -22.070 -3.151 1.00 0.00 H new ATOM 0 HG SER A 46 13.877 -22.992 -3.721 1.00 0.00 H new ATOM 717 N TYR A 47 8.713 -21.846 -4.820 1.00 0.00 N ATOM 718 CA TYR A 47 7.492 -21.160 -4.415 1.00 0.00 C ATOM 719 C TYR A 47 7.528 -20.815 -2.930 1.00 0.00 C ATOM 720 O TYR A 47 6.888 -19.861 -2.486 1.00 0.00 O ATOM 721 CB TYR A 47 6.270 -22.028 -4.719 1.00 0.00 C ATOM 722 CG TYR A 47 4.953 -21.326 -4.477 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.393 -21.276 -3.206 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.268 -20.713 -5.519 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.190 -20.636 -2.980 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.065 -20.069 -5.302 1.00 0.00 C ATOM 727 CZ TYR A 47 2.530 -20.034 -4.031 1.00 0.00 C ATOM 728 OH TYR A 47 1.331 -19.395 -3.811 1.00 0.00 O ATOM 0 H TYR A 47 8.570 -22.797 -5.159 1.00 0.00 H new ATOM 0 HA TYR A 47 7.421 -20.232 -4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.314 -22.351 -5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.311 -22.927 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.907 -21.746 -2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.683 -20.740 -6.516 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.769 -20.607 -1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.547 -19.596 -6.123 1.00 0.00 H new ATOM 0 HH TYR A 47 0.999 -19.023 -4.655 1.00 0.00 H new ATOM 738 N LYS A 48 8.282 -21.598 -2.165 1.00 0.00 N ATOM 739 CA LYS A 48 8.405 -21.377 -0.729 1.00 0.00 C ATOM 740 C LYS A 48 8.914 -19.969 -0.438 1.00 0.00 C ATOM 741 O LYS A 48 8.488 -19.332 0.525 1.00 0.00 O ATOM 742 CB LYS A 48 9.350 -22.411 -0.113 1.00 0.00 C ATOM 743 CG LYS A 48 10.684 -22.521 -0.832 1.00 0.00 C ATOM 744 CD LYS A 48 11.643 -23.435 -0.089 1.00 0.00 C ATOM 745 CE LYS A 48 12.682 -24.032 -1.027 1.00 0.00 C ATOM 746 NZ LYS A 48 13.832 -24.615 -0.281 1.00 0.00 N ATOM 0 H LYS A 48 8.817 -22.392 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 48 7.417 -21.486 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.529 -22.151 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.862 -23.386 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.525 -22.902 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.128 -21.530 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.143 -22.875 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.084 -24.236 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.217 -24.805 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.044 -23.261 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.518 -25.011 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.291 -23.873 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.491 -25.369 0.349 1.00 0.00 H new ATOM 760 N ALA A 49 9.827 -19.489 -1.276 1.00 0.00 N ATOM 761 CA ALA A 49 10.390 -18.155 -1.110 1.00 0.00 C ATOM 762 C ALA A 49 9.352 -17.079 -1.409 1.00 0.00 C ATOM 763 O ALA A 49 9.366 -16.005 -0.807 1.00 0.00 O ATOM 764 CB ALA A 49 11.607 -17.981 -2.006 1.00 0.00 C ATOM 0 H ALA A 49 10.192 -20.004 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 49 10.699 -18.045 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.017 -16.980 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.362 -18.721 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.315 -18.117 -3.047 1.00 0.00 H new ATOM 770 N LEU A 50 8.454 -17.374 -2.342 1.00 0.00 N ATOM 771 CA LEU A 50 7.408 -16.430 -2.722 1.00 0.00 C ATOM 772 C LEU A 50 6.336 -16.342 -1.641 1.00 0.00 C ATOM 773 O LEU A 50 5.980 -15.252 -1.192 1.00 0.00 O ATOM 774 CB LEU A 50 6.776 -16.847 -4.051 1.00 0.00 C ATOM 775 CG LEU A 50 6.362 -15.709 -4.984 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.310 -14.832 -4.322 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.574 -14.881 -5.385 1.00 0.00 C ATOM 0 H LEU A 50 8.429 -18.259 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 50 7.864 -15.447 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.482 -17.486 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.896 -17.453 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 50 5.929 -16.143 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.027 -14.027 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.432 -15.433 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.716 -14.407 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.261 -14.075 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.036 -14.457 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.294 -15.516 -5.900 1.00 0.00 H new ATOM 789 N VAL A 51 5.825 -17.497 -1.225 1.00 0.00 N ATOM 790 CA VAL A 51 4.796 -17.551 -0.194 1.00 0.00 C ATOM 791 C VAL A 51 5.271 -16.884 1.092 1.00 0.00 C ATOM 792 O VAL A 51 4.498 -16.218 1.780 1.00 0.00 O ATOM 793 CB VAL A 51 4.387 -19.003 0.115 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.601 -19.826 0.518 1.00 0.00 C ATOM 795 CG2 VAL A 51 3.324 -19.037 1.204 1.00 0.00 C ATOM 0 H VAL A 51 6.107 -18.408 -1.587 1.00 0.00 H new ATOM 0 HA VAL A 51 3.931 -17.012 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 51 3.964 -19.443 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.292 -20.849 0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.325 -19.829 -0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.057 -19.391 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.047 -20.071 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.718 -18.580 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.445 -18.485 0.872 1.00 0.00 H new ATOM 805 N ALA A 52 6.548 -17.067 1.411 1.00 0.00 N ATOM 806 CA ALA A 52 7.127 -16.481 2.613 1.00 0.00 C ATOM 807 C ALA A 52 6.961 -14.965 2.620 1.00 0.00 C ATOM 808 O ALA A 52 6.612 -14.373 3.642 1.00 0.00 O ATOM 809 CB ALA A 52 8.598 -16.853 2.726 1.00 0.00 C ATOM 0 H ALA A 52 7.201 -17.617 0.853 1.00 0.00 H new ATOM 0 HA ALA A 52 6.595 -16.883 3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.017 -16.408 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.696 -17.937 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.136 -16.480 1.854 1.00 0.00 H new ATOM 815 N LEU A 53 7.212 -14.342 1.474 1.00 0.00 N ATOM 816 CA LEU A 53 7.091 -12.894 1.347 1.00 0.00 C ATOM 817 C LEU A 53 5.637 -12.455 1.488 1.00 0.00 C ATOM 818 O LEU A 53 5.343 -11.437 2.114 1.00 0.00 O ATOM 819 CB LEU A 53 7.648 -12.432 0.000 1.00 0.00 C ATOM 820 CG LEU A 53 9.113 -11.996 -0.008 1.00 0.00 C ATOM 821 CD1 LEU A 53 10.014 -13.159 -0.392 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.317 -10.825 -0.957 1.00 0.00 C ATOM 0 H LEU A 53 7.501 -14.817 0.619 1.00 0.00 H new ATOM 0 HA LEU A 53 7.669 -12.434 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.528 -13.244 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.040 -11.600 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 53 9.381 -11.672 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.053 -12.830 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.890 -13.968 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.746 -13.514 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.366 -10.529 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.031 -11.121 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.700 -9.985 -0.636 1.00 0.00 H new ATOM 834 N ARG A 54 4.731 -13.232 0.903 1.00 0.00 N ATOM 835 CA ARG A 54 3.307 -12.923 0.963 1.00 0.00 C ATOM 836 C ARG A 54 2.810 -12.934 2.406 1.00 0.00 C ATOM 837 O ARG A 54 2.097 -12.026 2.834 1.00 0.00 O ATOM 838 CB ARG A 54 2.510 -13.929 0.130 1.00 0.00 C ATOM 839 CG ARG A 54 2.192 -13.440 -1.274 1.00 0.00 C ATOM 840 CD ARG A 54 0.896 -14.042 -1.793 1.00 0.00 C ATOM 841 NE ARG A 54 1.001 -14.442 -3.194 1.00 0.00 N ATOM 842 CZ ARG A 54 1.564 -15.577 -3.594 1.00 0.00 C ATOM 843 NH1 ARG A 54 2.068 -16.421 -2.704 1.00 0.00 N ATOM 844 NH2 ARG A 54 1.621 -15.871 -4.887 1.00 0.00 N ATOM 0 H ARG A 54 4.957 -14.079 0.382 1.00 0.00 H new ATOM 0 HA ARG A 54 3.159 -11.924 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.073 -14.860 0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.578 -14.158 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.115 -12.353 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.010 -13.701 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.631 -14.909 -1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.090 -13.317 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 54 0.621 -13.816 -3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.024 -16.200 -1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.500 -17.292 -3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.232 -15.225 -5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.053 -16.743 -5.193 1.00 0.00 H new ATOM 858 N ARG A 55 3.190 -13.968 3.150 1.00 0.00 N ATOM 859 CA ARG A 55 2.781 -14.098 4.543 1.00 0.00 C ATOM 860 C ARG A 55 3.230 -12.887 5.356 1.00 0.00 C ATOM 861 O ARG A 55 2.504 -12.407 6.227 1.00 0.00 O ATOM 862 CB ARG A 55 3.360 -15.377 5.149 1.00 0.00 C ATOM 863 CG ARG A 55 2.755 -15.741 6.495 1.00 0.00 C ATOM 864 CD ARG A 55 3.230 -17.106 6.968 1.00 0.00 C ATOM 865 NE ARG A 55 2.361 -17.660 8.004 1.00 0.00 N ATOM 866 CZ ARG A 55 2.445 -18.910 8.443 1.00 0.00 C ATOM 867 NH1 ARG A 55 3.355 -19.733 7.939 1.00 0.00 N ATOM 868 NH2 ARG A 55 1.619 -19.340 9.387 1.00 0.00 N ATOM 0 H ARG A 55 3.780 -14.728 2.811 1.00 0.00 H new ATOM 0 HA ARG A 55 1.693 -14.151 4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.202 -16.202 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.437 -15.259 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.024 -14.985 7.233 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.668 -15.739 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.266 -17.791 6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.246 -17.023 7.354 1.00 0.00 H new ATOM 0 HE ARG A 55 1.651 -17.053 8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.992 -19.406 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.418 -20.693 8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.918 -18.710 9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.685 -20.301 9.723 1.00 0.00 H new ATOM 882 N VAL A 56 4.432 -12.400 5.067 1.00 0.00 N ATOM 883 CA VAL A 56 4.979 -11.245 5.771 1.00 0.00 C ATOM 884 C VAL A 56 4.215 -9.974 5.417 1.00 0.00 C ATOM 885 O VAL A 56 3.966 -9.127 6.276 1.00 0.00 O ATOM 886 CB VAL A 56 6.470 -11.043 5.444 1.00 0.00 C ATOM 887 CG1 VAL A 56 7.010 -9.811 6.154 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.271 -12.280 5.823 1.00 0.00 C ATOM 0 H VAL A 56 5.046 -12.787 4.350 1.00 0.00 H new ATOM 0 HA VAL A 56 4.873 -11.444 6.837 1.00 0.00 H new ATOM 0 HB VAL A 56 6.571 -10.888 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.065 -9.684 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.455 -8.931 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.898 -9.934 7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.323 -12.120 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.165 -12.469 6.891 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.900 -13.139 5.265 1.00 0.00 H new ATOM 898 N LEU A 57 3.846 -9.847 4.147 1.00 0.00 N ATOM 899 CA LEU A 57 3.109 -8.678 3.679 1.00 0.00 C ATOM 900 C LEU A 57 1.733 -8.604 4.331 1.00 0.00 C ATOM 901 O LEU A 57 1.321 -7.551 4.820 1.00 0.00 O ATOM 902 CB LEU A 57 2.963 -8.720 2.156 1.00 0.00 C ATOM 903 CG LEU A 57 4.013 -7.945 1.360 1.00 0.00 C ATOM 904 CD1 LEU A 57 5.378 -8.602 1.497 1.00 0.00 C ATOM 905 CD2 LEU A 57 3.609 -7.851 -0.105 1.00 0.00 C ATOM 0 H LEU A 57 4.045 -10.538 3.424 1.00 0.00 H new ATOM 0 HA LEU A 57 3.671 -7.788 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.990 -9.762 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.978 -8.332 1.895 1.00 0.00 H new ATOM 0 HG LEU A 57 4.076 -6.935 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.113 -8.037 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.671 -8.618 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.330 -9.623 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.368 -7.296 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.518 -8.854 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.652 -7.336 -0.186 1.00 0.00 H new ATOM 917 N LEU A 58 1.026 -9.729 4.339 1.00 0.00 N ATOM 918 CA LEU A 58 -0.304 -9.793 4.934 1.00 0.00 C ATOM 919 C LEU A 58 -0.223 -9.731 6.456 1.00 0.00 C ATOM 920 O LEU A 58 -1.104 -9.176 7.112 1.00 0.00 O ATOM 921 CB LEU A 58 -1.017 -11.076 4.502 1.00 0.00 C ATOM 922 CG LEU A 58 -0.276 -12.383 4.786 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.576 -12.871 6.195 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.653 -13.443 3.762 1.00 0.00 C ATOM 0 H LEU A 58 1.352 -10.609 3.940 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.874 -8.932 4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.986 -11.115 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.211 -11.017 3.431 1.00 0.00 H new ATOM 0 HG LEU A 58 0.795 -12.195 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.040 -13.802 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.256 -12.119 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.647 -13.042 6.300 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.116 -14.366 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.726 -13.628 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.387 -13.095 2.764 1.00 0.00 H new ATOM 936 N ALA A 59 0.841 -10.302 7.010 1.00 0.00 N ATOM 937 CA ALA A 59 1.039 -10.308 8.455 1.00 0.00 C ATOM 938 C ALA A 59 1.052 -8.889 9.012 1.00 0.00 C ATOM 939 O ALA A 59 0.440 -8.612 10.044 1.00 0.00 O ATOM 940 CB ALA A 59 2.333 -11.027 8.807 1.00 0.00 C ATOM 0 H ALA A 59 1.579 -10.766 6.481 1.00 0.00 H new ATOM 0 HA ALA A 59 0.204 -10.842 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.468 -11.024 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.286 -12.056 8.450 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.173 -10.517 8.335 1.00 0.00 H new ATOM 946 N GLN A 60 1.753 -7.993 8.324 1.00 0.00 N ATOM 947 CA GLN A 60 1.846 -6.603 8.753 1.00 0.00 C ATOM 948 C GLN A 60 0.512 -5.887 8.570 1.00 0.00 C ATOM 949 O GLN A 60 0.158 -5.003 9.352 1.00 0.00 O ATOM 950 CB GLN A 60 2.940 -5.877 7.969 1.00 0.00 C ATOM 951 CG GLN A 60 4.316 -6.508 8.117 1.00 0.00 C ATOM 952 CD GLN A 60 5.068 -5.989 9.326 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.840 -4.867 9.780 1.00 0.00 O ATOM 954 NE2 GLN A 60 5.973 -6.804 9.855 1.00 0.00 N ATOM 0 H GLN A 60 2.265 -8.205 7.467 1.00 0.00 H new ATOM 0 HA GLN A 60 2.101 -6.592 9.813 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.669 -5.860 6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.987 -4.840 8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.209 -7.590 8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.900 -6.311 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.130 -7.726 9.447 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.511 -6.509 10.669 1.00 0.00 H new ATOM 963 N PHE A 61 -0.223 -6.272 7.533 1.00 0.00 N ATOM 964 CA PHE A 61 -1.518 -5.666 7.247 1.00 0.00 C ATOM 965 C PHE A 61 -2.506 -5.931 8.379 1.00 0.00 C ATOM 966 O PHE A 61 -3.299 -5.062 8.742 1.00 0.00 O ATOM 967 CB PHE A 61 -2.078 -6.207 5.929 1.00 0.00 C ATOM 968 CG PHE A 61 -3.089 -5.298 5.290 1.00 0.00 C ATOM 969 CD1 PHE A 61 -4.354 -5.153 5.836 1.00 0.00 C ATOM 970 CD2 PHE A 61 -2.773 -4.589 4.141 1.00 0.00 C ATOM 971 CE1 PHE A 61 -5.286 -4.318 5.249 1.00 0.00 C ATOM 972 CE2 PHE A 61 -3.701 -3.752 3.551 1.00 0.00 C ATOM 973 CZ PHE A 61 -4.959 -3.617 4.105 1.00 0.00 C ATOM 0 H PHE A 61 0.056 -7.001 6.876 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.375 -4.589 7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.255 -6.369 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.538 -7.179 6.110 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.615 -5.699 6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.791 -4.692 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.269 -4.214 5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.443 -3.204 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.686 -2.964 3.644 1.00 0.00 H new