USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=10 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 Set 1.1: A 16 MET CE :methyl 145:sc= -2.48! (180deg=-2.5!) USER MOD Set 1.2: A 43 CYS SG : rot -110:sc= -0.274 USER MOD Single : A 9 CYS SG : rot 39:sc= 0.222 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.0039) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 128:sc= -3.54! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0129 K(o=-0.013,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ 143:sc= -1.08 (180deg=-2.29) USER MOD Single : A 46 SER OG : rot 180: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= -0.0289 K(o=-0.029,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.558 -4.988 -10.080 1.00 0.00 N ATOM 42 CA LEU A 4 8.450 -6.024 -10.588 1.00 0.00 C ATOM 43 C LEU A 4 9.447 -5.443 -11.585 1.00 0.00 C ATOM 44 O LEU A 4 9.063 -4.763 -12.537 1.00 0.00 O ATOM 45 CB LEU A 4 7.642 -7.142 -11.249 1.00 0.00 C ATOM 46 CG LEU A 4 6.560 -7.789 -10.385 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.756 -8.791 -11.199 1.00 0.00 C ATOM 48 CD2 LEU A 4 7.180 -8.463 -9.169 1.00 0.00 C ATOM 0 HA LEU A 4 9.005 -6.436 -9.745 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.171 -6.741 -12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.333 -7.920 -11.573 1.00 0.00 H new ATOM 0 HG LEU A 4 5.884 -7.008 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.990 -9.242 -10.568 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.281 -8.281 -12.037 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.419 -9.569 -11.576 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.395 -8.918 -8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.878 -9.233 -9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.711 -7.721 -8.573 1.00 0.00 H new ATOM 60 N ARG A 5 10.728 -5.716 -11.361 1.00 0.00 N ATOM 61 CA ARG A 5 11.780 -5.221 -12.241 1.00 0.00 C ATOM 62 C ARG A 5 13.113 -5.896 -11.927 1.00 0.00 C ATOM 63 O ARG A 5 13.285 -6.490 -10.863 1.00 0.00 O ATOM 64 CB ARG A 5 11.919 -3.704 -12.101 1.00 0.00 C ATOM 65 CG ARG A 5 12.163 -3.243 -10.674 1.00 0.00 C ATOM 66 CD ARG A 5 12.733 -1.834 -10.633 1.00 0.00 C ATOM 67 NE ARG A 5 11.786 -0.846 -11.142 1.00 0.00 N ATOM 68 CZ ARG A 5 12.120 0.403 -11.448 1.00 0.00 C ATOM 69 NH1 ARG A 5 13.371 0.814 -11.297 1.00 0.00 N ATOM 70 NH2 ARG A 5 11.201 1.244 -11.906 1.00 0.00 N ATOM 0 H ARG A 5 11.063 -6.277 -10.578 1.00 0.00 H new ATOM 0 HA ARG A 5 11.504 -5.460 -13.268 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.742 -3.364 -12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.013 -3.229 -12.477 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.228 -3.274 -10.115 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.852 -3.930 -10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.004 -1.582 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 5 13.649 -1.796 -11.223 1.00 0.00 H new ATOM 0 HE ARG A 5 10.815 -1.130 -11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.080 0.171 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.625 1.773 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.237 0.932 -12.023 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.459 2.203 -12.141 1.00 0.00 H new ATOM 84 N VAL A 6 14.053 -5.799 -12.862 1.00 0.00 N ATOM 85 CA VAL A 6 15.370 -6.399 -12.686 1.00 0.00 C ATOM 86 C VAL A 6 16.250 -5.539 -11.785 1.00 0.00 C ATOM 87 O VAL A 6 16.412 -4.342 -12.017 1.00 0.00 O ATOM 88 CB VAL A 6 16.081 -6.600 -14.038 1.00 0.00 C ATOM 89 CG1 VAL A 6 16.183 -5.281 -14.789 1.00 0.00 C ATOM 90 CG2 VAL A 6 17.458 -7.212 -13.830 1.00 0.00 C ATOM 0 H VAL A 6 13.927 -5.311 -13.749 1.00 0.00 H new ATOM 0 HA VAL A 6 15.215 -7.371 -12.217 1.00 0.00 H new ATOM 0 HB VAL A 6 15.490 -7.289 -14.641 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.688 -5.443 -15.741 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.183 -4.888 -14.971 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.751 -4.566 -14.194 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.946 -7.347 -14.795 1.00 0.00 H new ATOM 0 HG22 VAL A 6 18.060 -6.550 -13.208 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.356 -8.179 -13.337 1.00 0.00 H new ATOM 100 N GLY A 7 16.817 -6.159 -10.754 1.00 0.00 N ATOM 101 CA GLY A 7 17.674 -5.435 -9.833 1.00 0.00 C ATOM 102 C GLY A 7 17.293 -5.666 -8.384 1.00 0.00 C ATOM 103 O GLY A 7 18.127 -5.536 -7.487 1.00 0.00 O ATOM 0 H GLY A 7 16.698 -7.149 -10.540 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.709 -5.742 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.621 -4.369 -10.054 1.00 0.00 H new ATOM 107 N LEU A 8 16.030 -6.006 -8.153 1.00 0.00 N ATOM 108 CA LEU A 8 15.539 -6.254 -6.802 1.00 0.00 C ATOM 109 C LEU A 8 16.382 -7.315 -6.102 1.00 0.00 C ATOM 110 O LEU A 8 16.729 -7.172 -4.929 1.00 0.00 O ATOM 111 CB LEU A 8 14.075 -6.695 -6.843 1.00 0.00 C ATOM 112 CG LEU A 8 13.043 -5.632 -6.465 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.691 -5.957 -7.082 1.00 0.00 C ATOM 114 CD2 LEU A 8 12.926 -5.517 -4.952 1.00 0.00 C ATOM 0 H LEU A 8 15.327 -6.116 -8.884 1.00 0.00 H new ATOM 0 HA LEU A 8 15.616 -5.325 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.851 -7.049 -7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.954 -7.545 -6.172 1.00 0.00 H new ATOM 0 HG LEU A 8 13.378 -4.672 -6.858 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.969 -5.190 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.785 -5.988 -8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.349 -6.926 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.187 -4.756 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.615 -6.476 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.892 -5.237 -4.533 1.00 0.00 H new ATOM 126 N CYS A 9 16.711 -8.377 -6.830 1.00 0.00 N ATOM 127 CA CYS A 9 17.516 -9.462 -6.279 1.00 0.00 C ATOM 128 C CYS A 9 18.180 -10.265 -7.393 1.00 0.00 C ATOM 129 O CYS A 9 17.765 -10.227 -8.551 1.00 0.00 O ATOM 130 CB CYS A 9 16.649 -10.381 -5.418 1.00 0.00 C ATOM 131 SG CYS A 9 16.696 -9.998 -3.651 1.00 0.00 S ATOM 0 H CYS A 9 16.433 -8.510 -7.802 1.00 0.00 H new ATOM 0 HA CYS A 9 18.296 -9.024 -5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 9 15.617 -10.320 -5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 9 16.974 -11.411 -5.564 1.00 0.00 H new ATOM 0 HG CYS A 9 16.708 -8.708 -3.487 1.00 0.00 H new ATOM 137 N PRO A 10 19.237 -11.009 -7.036 1.00 0.00 N ATOM 138 CA PRO A 10 19.983 -11.835 -7.991 1.00 0.00 C ATOM 139 C PRO A 10 19.176 -13.036 -8.471 1.00 0.00 C ATOM 140 O PRO A 10 19.466 -13.612 -9.519 1.00 0.00 O ATOM 141 CB PRO A 10 21.200 -12.295 -7.186 1.00 0.00 C ATOM 142 CG PRO A 10 20.756 -12.247 -5.765 1.00 0.00 C ATOM 143 CD PRO A 10 19.787 -11.101 -5.673 1.00 0.00 C ATOM 0 HA PRO A 10 20.238 -11.284 -8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 10 21.506 -13.302 -7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 10 22.056 -11.642 -7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 10 20.282 -13.184 -5.472 1.00 0.00 H new ATOM 0 HG3 PRO A 10 21.603 -12.096 -5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.006 -11.293 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 10 20.284 -10.177 -5.377 1.00 0.00 H new ATOM 151 N GLY A 11 18.160 -13.409 -7.698 1.00 0.00 N ATOM 152 CA GLY A 11 17.327 -14.540 -8.062 1.00 0.00 C ATOM 153 C GLY A 11 16.548 -14.299 -9.340 1.00 0.00 C ATOM 154 O GLY A 11 16.646 -15.075 -10.291 1.00 0.00 O ATOM 0 H GLY A 11 17.899 -12.948 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.953 -15.424 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.631 -14.751 -7.250 1.00 0.00 H new ATOM 158 N LEU A 12 15.772 -13.221 -9.363 1.00 0.00 N ATOM 159 CA LEU A 12 14.971 -12.880 -10.534 1.00 0.00 C ATOM 160 C LEU A 12 15.863 -12.518 -11.717 1.00 0.00 C ATOM 161 O LEU A 12 16.936 -11.940 -11.545 1.00 0.00 O ATOM 162 CB LEU A 12 14.032 -11.716 -10.212 1.00 0.00 C ATOM 163 CG LEU A 12 12.597 -12.093 -9.843 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.875 -12.685 -11.044 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.586 -13.070 -8.677 1.00 0.00 C ATOM 0 H LEU A 12 15.680 -12.568 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 12 14.377 -13.753 -10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.461 -11.147 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.001 -11.051 -11.075 1.00 0.00 H new ATOM 0 HG LEU A 12 12.071 -11.188 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.855 -12.947 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.852 -11.953 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.400 -13.579 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.557 -13.327 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.129 -13.973 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.064 -12.610 -7.812 1.00 0.00 H new ATOM 177 N THR A 13 15.410 -12.859 -12.919 1.00 0.00 N ATOM 178 CA THR A 13 16.166 -12.569 -14.131 1.00 0.00 C ATOM 179 C THR A 13 15.460 -11.518 -14.981 1.00 0.00 C ATOM 180 O THR A 13 14.234 -11.419 -14.969 1.00 0.00 O ATOM 181 CB THR A 13 16.379 -13.838 -14.978 1.00 0.00 C ATOM 182 OG1 THR A 13 16.905 -13.488 -16.262 1.00 0.00 O ATOM 183 CG2 THR A 13 15.073 -14.599 -15.150 1.00 0.00 C ATOM 0 H THR A 13 14.523 -13.336 -13.079 1.00 0.00 H new ATOM 0 HA THR A 13 17.136 -12.185 -13.814 1.00 0.00 H new ATOM 0 HB THR A 13 17.090 -14.480 -14.458 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.039 -14.301 -16.793 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.248 -15.491 -15.751 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.690 -14.890 -14.172 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.344 -13.962 -15.650 1.00 0.00 H new ATOM 191 N GLU A 14 16.244 -10.736 -15.716 1.00 0.00 N ATOM 192 CA GLU A 14 15.692 -9.691 -16.572 1.00 0.00 C ATOM 193 C GLU A 14 14.730 -10.281 -17.599 1.00 0.00 C ATOM 194 O GLU A 14 13.808 -9.608 -18.058 1.00 0.00 O ATOM 195 CB GLU A 14 16.817 -8.938 -17.284 1.00 0.00 C ATOM 196 CG GLU A 14 16.324 -7.965 -18.342 1.00 0.00 C ATOM 197 CD GLU A 14 17.422 -7.053 -18.853 1.00 0.00 C ATOM 198 OE1 GLU A 14 18.184 -7.485 -19.743 1.00 0.00 O ATOM 199 OE2 GLU A 14 17.519 -5.908 -18.364 1.00 0.00 O ATOM 0 H GLU A 14 17.261 -10.805 -15.736 1.00 0.00 H new ATOM 0 HA GLU A 14 15.140 -8.994 -15.942 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.402 -8.391 -16.544 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.487 -9.660 -17.750 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.904 -8.525 -19.177 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.518 -7.360 -17.926 1.00 0.00 H new ATOM 206 N GLU A 15 14.954 -11.542 -17.955 1.00 0.00 N ATOM 207 CA GLU A 15 14.108 -12.222 -18.929 1.00 0.00 C ATOM 208 C GLU A 15 12.652 -12.232 -18.471 1.00 0.00 C ATOM 209 O GLU A 15 11.749 -11.882 -19.231 1.00 0.00 O ATOM 210 CB GLU A 15 14.595 -13.656 -19.148 1.00 0.00 C ATOM 211 CG GLU A 15 13.966 -14.335 -20.353 1.00 0.00 C ATOM 212 CD GLU A 15 14.746 -15.553 -20.809 1.00 0.00 C ATOM 213 OE1 GLU A 15 14.708 -16.580 -20.099 1.00 0.00 O ATOM 214 OE2 GLU A 15 15.393 -15.480 -21.874 1.00 0.00 O ATOM 0 H GLU A 15 15.713 -12.113 -17.584 1.00 0.00 H new ATOM 0 HA GLU A 15 14.171 -11.677 -19.871 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.678 -13.648 -19.270 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.379 -14.244 -18.256 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.947 -14.632 -20.107 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.901 -13.622 -21.174 1.00 0.00 H new ATOM 221 N MET A 16 12.432 -12.637 -17.225 1.00 0.00 N ATOM 222 CA MET A 16 11.087 -12.693 -16.666 1.00 0.00 C ATOM 223 C MET A 16 10.447 -11.308 -16.649 1.00 0.00 C ATOM 224 O MET A 16 9.229 -11.176 -16.771 1.00 0.00 O ATOM 225 CB MET A 16 11.123 -13.267 -15.248 1.00 0.00 C ATOM 226 CG MET A 16 10.073 -14.337 -14.998 1.00 0.00 C ATOM 227 SD MET A 16 9.307 -14.193 -13.372 1.00 0.00 S ATOM 228 CE MET A 16 10.059 -15.577 -12.520 1.00 0.00 C ATOM 0 H MET A 16 13.168 -12.931 -16.583 1.00 0.00 H new ATOM 0 HA MET A 16 10.485 -13.345 -17.299 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.111 -13.688 -15.060 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.981 -12.456 -14.533 1.00 0.00 H new ATOM 0 HG2 MET A 16 9.302 -14.270 -15.766 1.00 0.00 H new ATOM 0 HG3 MET A 16 10.533 -15.321 -15.093 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.221 -15.316 -11.474 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.400 -16.443 -12.580 1.00 0.00 H new ATOM 0 HE3 MET A 16 11.015 -15.816 -12.986 1.00 0.00 H new ATOM 238 N ILE A 17 11.275 -10.280 -16.497 1.00 0.00 N ATOM 239 CA ILE A 17 10.790 -8.907 -16.465 1.00 0.00 C ATOM 240 C ILE A 17 10.322 -8.457 -17.845 1.00 0.00 C ATOM 241 O ILE A 17 9.343 -7.722 -17.970 1.00 0.00 O ATOM 242 CB ILE A 17 11.876 -7.937 -15.963 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.586 -8.522 -14.741 1.00 0.00 C ATOM 244 CG2 ILE A 17 11.265 -6.584 -15.630 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.644 -8.913 -13.624 1.00 0.00 C ATOM 0 H ILE A 17 12.286 -10.373 -16.394 1.00 0.00 H new ATOM 0 HA ILE A 17 9.948 -8.886 -15.773 1.00 0.00 H new ATOM 0 HB ILE A 17 12.612 -7.796 -16.755 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.157 -9.399 -15.048 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.302 -7.792 -14.363 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.045 -5.910 -15.277 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.800 -6.165 -16.522 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.512 -6.707 -14.852 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.217 -9.320 -12.791 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.091 -8.035 -13.290 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.944 -9.666 -13.985 1.00 0.00 H new ATOM 257 N GLN A 18 11.027 -8.906 -18.878 1.00 0.00 N ATOM 258 CA GLN A 18 10.683 -8.550 -20.250 1.00 0.00 C ATOM 259 C GLN A 18 9.325 -9.127 -20.637 1.00 0.00 C ATOM 260 O GLN A 18 8.471 -8.423 -21.178 1.00 0.00 O ATOM 261 CB GLN A 18 11.758 -9.053 -21.215 1.00 0.00 C ATOM 262 CG GLN A 18 11.372 -8.919 -22.679 1.00 0.00 C ATOM 263 CD GLN A 18 12.573 -8.732 -23.585 1.00 0.00 C ATOM 264 OE1 GLN A 18 13.232 -9.699 -23.969 1.00 0.00 O ATOM 265 NE2 GLN A 18 12.865 -7.484 -23.931 1.00 0.00 N ATOM 0 H GLN A 18 11.839 -9.517 -18.791 1.00 0.00 H new ATOM 0 HA GLN A 18 10.628 -7.463 -20.314 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.680 -8.499 -21.039 1.00 0.00 H new ATOM 0 HB3 GLN A 18 11.968 -10.100 -20.998 1.00 0.00 H new ATOM 0 HG2 GLN A 18 10.823 -9.808 -22.989 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.697 -8.071 -22.797 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.292 -6.713 -23.590 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.663 -7.297 -24.538 1.00 0.00 H new ATOM 274 N LEU A 19 9.132 -10.411 -20.357 1.00 0.00 N ATOM 275 CA LEU A 19 7.877 -11.083 -20.676 1.00 0.00 C ATOM 276 C LEU A 19 6.749 -10.584 -19.780 1.00 0.00 C ATOM 277 O LEU A 19 5.597 -10.489 -20.207 1.00 0.00 O ATOM 278 CB LEU A 19 8.034 -12.597 -20.523 1.00 0.00 C ATOM 279 CG LEU A 19 7.893 -13.147 -19.103 1.00 0.00 C ATOM 280 CD1 LEU A 19 6.440 -13.473 -18.798 1.00 0.00 C ATOM 281 CD2 LEU A 19 8.768 -14.378 -18.919 1.00 0.00 C ATOM 0 H LEU A 19 9.828 -11.008 -19.910 1.00 0.00 H new ATOM 0 HA LEU A 19 7.623 -10.853 -21.711 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.292 -13.085 -21.155 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.015 -12.881 -20.905 1.00 0.00 H new ATOM 0 HG LEU A 19 8.226 -12.381 -18.403 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.360 -13.863 -17.783 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.838 -12.569 -18.888 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.079 -14.221 -19.504 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.655 -14.756 -17.903 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.466 -15.148 -19.628 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.811 -14.113 -19.094 1.00 0.00 H new ATOM 293 N LEU A 20 7.086 -10.265 -18.535 1.00 0.00 N ATOM 294 CA LEU A 20 6.101 -9.772 -17.578 1.00 0.00 C ATOM 295 C LEU A 20 5.663 -8.354 -17.928 1.00 0.00 C ATOM 296 O LEU A 20 4.475 -8.035 -17.896 1.00 0.00 O ATOM 297 CB LEU A 20 6.678 -9.805 -16.161 1.00 0.00 C ATOM 298 CG LEU A 20 6.658 -11.164 -15.460 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.672 -11.194 -14.327 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.263 -11.474 -14.938 1.00 0.00 C ATOM 0 H LEU A 20 8.033 -10.339 -18.165 1.00 0.00 H new ATOM 0 HA LEU A 20 5.228 -10.423 -17.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.709 -9.455 -16.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.124 -9.094 -15.548 1.00 0.00 H new ATOM 0 HG LEU A 20 6.931 -11.930 -16.185 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.644 -12.168 -13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.670 -11.017 -14.727 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.429 -10.418 -13.601 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.267 -12.445 -14.442 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.961 -10.705 -14.227 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.559 -11.495 -15.770 1.00 0.00 H new ATOM 312 N ARG A 21 6.631 -7.507 -18.264 1.00 0.00 N ATOM 313 CA ARG A 21 6.345 -6.123 -18.622 1.00 0.00 C ATOM 314 C ARG A 21 5.646 -6.045 -19.976 1.00 0.00 C ATOM 315 O ARG A 21 4.882 -5.116 -20.239 1.00 0.00 O ATOM 316 CB ARG A 21 7.638 -5.305 -18.656 1.00 0.00 C ATOM 317 CG ARG A 21 8.488 -5.560 -19.890 1.00 0.00 C ATOM 318 CD ARG A 21 9.712 -4.659 -19.918 1.00 0.00 C ATOM 319 NE ARG A 21 10.114 -4.325 -21.282 1.00 0.00 N ATOM 320 CZ ARG A 21 9.425 -3.509 -22.072 1.00 0.00 C ATOM 321 NH1 ARG A 21 8.306 -2.948 -21.636 1.00 0.00 N ATOM 322 NH2 ARG A 21 9.855 -3.254 -23.301 1.00 0.00 N ATOM 0 H ARG A 21 7.620 -7.755 -18.296 1.00 0.00 H new ATOM 0 HA ARG A 21 5.680 -5.708 -17.864 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.389 -4.245 -18.610 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.226 -5.533 -17.767 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.802 -6.604 -19.907 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.890 -5.392 -20.786 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.500 -3.742 -19.368 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.538 -5.154 -19.407 1.00 0.00 H new ATOM 0 HE ARG A 21 10.970 -4.741 -21.648 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.972 -3.142 -20.692 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.779 -2.322 -22.244 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.715 -3.685 -23.640 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.325 -2.627 -23.907 1.00 0.00 H new ATOM 336 N SER A 22 5.913 -7.026 -20.832 1.00 0.00 N ATOM 337 CA SER A 22 5.313 -7.066 -22.161 1.00 0.00 C ATOM 338 C SER A 22 3.880 -7.584 -22.094 1.00 0.00 C ATOM 339 O SER A 22 3.072 -7.328 -22.988 1.00 0.00 O ATOM 340 CB SER A 22 6.144 -7.951 -23.092 1.00 0.00 C ATOM 341 OG SER A 22 5.563 -8.019 -24.383 1.00 0.00 O ATOM 0 H SER A 22 6.541 -7.804 -20.629 1.00 0.00 H new ATOM 0 HA SER A 22 5.296 -6.050 -22.556 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.157 -7.556 -23.166 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.223 -8.954 -22.672 1.00 0.00 H new ATOM 0 HG SER A 22 6.113 -8.589 -24.960 1.00 0.00 H new ATOM 347 N HIS A 23 3.570 -8.315 -21.027 1.00 0.00 N ATOM 348 CA HIS A 23 2.234 -8.869 -20.842 1.00 0.00 C ATOM 349 C HIS A 23 1.335 -7.883 -20.102 1.00 0.00 C ATOM 350 O HIS A 23 0.217 -8.221 -19.711 1.00 0.00 O ATOM 351 CB HIS A 23 2.308 -10.187 -20.071 1.00 0.00 C ATOM 352 CG HIS A 23 1.335 -11.219 -20.553 1.00 0.00 C ATOM 353 ND1 HIS A 23 1.502 -12.570 -20.336 1.00 0.00 N ATOM 354 CD2 HIS A 23 0.179 -11.090 -21.244 1.00 0.00 C ATOM 355 CE1 HIS A 23 0.491 -13.229 -20.873 1.00 0.00 C ATOM 356 NE2 HIS A 23 -0.327 -12.354 -21.431 1.00 0.00 N ATOM 0 H HIS A 23 4.226 -8.537 -20.278 1.00 0.00 H new ATOM 0 HA HIS A 23 1.805 -9.056 -21.827 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.319 -10.588 -20.149 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.124 -9.991 -19.015 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.264 -10.166 -21.585 1.00 0.00 H new ATOM 0 HE1 HIS A 23 0.356 -14.300 -20.858 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.193 -12.580 -21.921 1.00 0.00 H new ATOM 364 N ARG A 24 1.830 -6.665 -19.913 1.00 0.00 N ATOM 365 CA ARG A 24 1.072 -5.631 -19.219 1.00 0.00 C ATOM 366 C ARG A 24 0.713 -6.077 -17.805 1.00 0.00 C ATOM 367 O ARG A 24 -0.394 -5.827 -17.326 1.00 0.00 O ATOM 368 CB ARG A 24 -0.201 -5.293 -19.997 1.00 0.00 C ATOM 369 CG ARG A 24 0.060 -4.817 -21.416 1.00 0.00 C ATOM 370 CD ARG A 24 -1.069 -5.214 -22.354 1.00 0.00 C ATOM 371 NE ARG A 24 -1.370 -4.163 -23.323 1.00 0.00 N ATOM 372 CZ ARG A 24 -2.006 -3.039 -23.014 1.00 0.00 C ATOM 373 NH1 ARG A 24 -2.405 -2.819 -21.768 1.00 0.00 N ATOM 374 NH2 ARG A 24 -2.244 -2.130 -23.951 1.00 0.00 N ATOM 0 H ARG A 24 2.753 -6.370 -20.231 1.00 0.00 H new ATOM 0 HA ARG A 24 1.697 -4.740 -19.153 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.841 -6.175 -20.031 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.751 -4.521 -19.459 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.175 -3.733 -21.422 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.998 -5.239 -21.776 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.797 -6.128 -22.883 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.963 -5.437 -21.772 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.075 -4.300 -24.290 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.223 -3.514 -21.044 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.893 -1.955 -21.534 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.938 -2.294 -24.910 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.733 -1.267 -23.712 1.00 0.00 H new ATOM 388 N ILE A 25 1.655 -6.739 -17.142 1.00 0.00 N ATOM 389 CA ILE A 25 1.439 -7.220 -15.783 1.00 0.00 C ATOM 390 C ILE A 25 1.384 -6.062 -14.792 1.00 0.00 C ATOM 391 O ILE A 25 2.062 -5.049 -14.967 1.00 0.00 O ATOM 392 CB ILE A 25 2.545 -8.200 -15.349 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.551 -9.431 -16.258 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.350 -8.609 -13.897 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.363 -10.343 -16.049 1.00 0.00 C ATOM 0 H ILE A 25 2.576 -6.955 -17.524 1.00 0.00 H new ATOM 0 HA ILE A 25 0.482 -7.742 -15.782 1.00 0.00 H new ATOM 0 HB ILE A 25 3.509 -7.700 -15.439 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.569 -9.105 -17.298 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.467 -9.996 -16.085 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.139 -9.302 -13.605 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.390 -7.724 -13.261 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.381 -9.094 -13.783 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.434 -11.194 -16.727 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.355 -10.699 -15.019 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.443 -9.794 -16.251 1.00 0.00 H new ATOM 407 N LYS A 26 0.574 -6.219 -13.751 1.00 0.00 N ATOM 408 CA LYS A 26 0.433 -5.189 -12.729 1.00 0.00 C ATOM 409 C LYS A 26 1.475 -5.366 -11.630 1.00 0.00 C ATOM 410 O LYS A 26 2.374 -6.199 -11.740 1.00 0.00 O ATOM 411 CB LYS A 26 -0.973 -5.230 -12.125 1.00 0.00 C ATOM 412 CG LYS A 26 -1.795 -3.985 -12.413 1.00 0.00 C ATOM 413 CD LYS A 26 -3.285 -4.278 -12.363 1.00 0.00 C ATOM 414 CE LYS A 26 -3.884 -3.893 -11.018 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.338 -2.475 -10.998 1.00 0.00 N ATOM 0 H LYS A 26 0.005 -7.050 -13.593 1.00 0.00 H new ATOM 0 HA LYS A 26 0.591 -4.220 -13.202 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.501 -6.101 -12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.892 -5.360 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.551 -3.210 -11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.533 -3.594 -13.396 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.791 -3.731 -13.158 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.455 -5.339 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.727 -4.547 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.144 -4.048 -10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.740 -2.252 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.529 -1.849 -11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.063 -2.332 -11.730 1.00 0.00 H new ATOM 429 N THR A 27 1.347 -4.577 -10.567 1.00 0.00 N ATOM 430 CA THR A 27 2.278 -4.647 -9.447 1.00 0.00 C ATOM 431 C THR A 27 2.078 -5.929 -8.646 1.00 0.00 C ATOM 432 O THR A 27 1.253 -6.771 -8.999 1.00 0.00 O ATOM 433 CB THR A 27 2.118 -3.437 -8.507 1.00 0.00 C ATOM 434 OG1 THR A 27 0.745 -3.290 -8.128 1.00 0.00 O ATOM 435 CG2 THR A 27 2.603 -2.162 -9.179 1.00 0.00 C ATOM 0 H THR A 27 0.608 -3.882 -10.458 1.00 0.00 H new ATOM 0 HA THR A 27 3.283 -4.639 -9.870 1.00 0.00 H new ATOM 0 HB THR A 27 2.723 -3.613 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.679 -3.236 -7.152 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.480 -1.321 -8.496 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.656 -2.266 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.021 -1.983 -10.083 1.00 0.00 H new ATOM 443 N VAL A 28 2.839 -6.070 -7.565 1.00 0.00 N ATOM 444 CA VAL A 28 2.744 -7.248 -6.712 1.00 0.00 C ATOM 445 C VAL A 28 1.291 -7.580 -6.393 1.00 0.00 C ATOM 446 O VAL A 28 0.941 -8.740 -6.173 1.00 0.00 O ATOM 447 CB VAL A 28 3.516 -7.051 -5.394 1.00 0.00 C ATOM 448 CG1 VAL A 28 5.013 -6.995 -5.654 1.00 0.00 C ATOM 449 CG2 VAL A 28 3.043 -5.791 -4.684 1.00 0.00 C ATOM 0 H VAL A 28 3.528 -5.383 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 28 3.189 -8.075 -7.265 1.00 0.00 H new ATOM 0 HB VAL A 28 3.316 -7.904 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.541 -6.855 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.337 -7.927 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.236 -6.162 -6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.599 -5.667 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.212 -4.926 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.979 -5.876 -4.462 1.00 0.00 H new ATOM 459 N VAL A 29 0.446 -6.554 -6.369 1.00 0.00 N ATOM 460 CA VAL A 29 -0.971 -6.737 -6.078 1.00 0.00 C ATOM 461 C VAL A 29 -1.600 -7.750 -7.028 1.00 0.00 C ATOM 462 O VAL A 29 -2.377 -8.608 -6.609 1.00 0.00 O ATOM 463 CB VAL A 29 -1.740 -5.406 -6.181 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.603 -4.816 -7.576 1.00 0.00 C ATOM 465 CG2 VAL A 29 -3.204 -5.609 -5.820 1.00 0.00 C ATOM 0 H VAL A 29 0.718 -5.587 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.040 -7.110 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.308 -4.700 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.153 -3.876 -7.629 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.550 -4.633 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.008 -5.515 -8.308 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.733 -4.659 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.651 -6.330 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.278 -5.983 -4.799 1.00 0.00 H new ATOM 475 N ASP A 30 -1.260 -7.644 -8.307 1.00 0.00 N ATOM 476 CA ASP A 30 -1.791 -8.552 -9.317 1.00 0.00 C ATOM 477 C ASP A 30 -1.172 -9.939 -9.180 1.00 0.00 C ATOM 478 O ASP A 30 -1.826 -10.951 -9.437 1.00 0.00 O ATOM 479 CB ASP A 30 -1.529 -7.999 -10.719 1.00 0.00 C ATOM 480 CG ASP A 30 -1.787 -9.027 -11.804 1.00 0.00 C ATOM 481 OD1 ASP A 30 -2.941 -9.120 -12.271 1.00 0.00 O ATOM 482 OD2 ASP A 30 -0.834 -9.738 -12.186 1.00 0.00 O ATOM 0 H ASP A 30 -0.619 -6.938 -8.670 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.867 -8.637 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.164 -7.129 -10.888 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.496 -7.657 -10.785 1.00 0.00 H new ATOM 487 N LEU A 31 0.093 -9.979 -8.775 1.00 0.00 N ATOM 488 CA LEU A 31 0.802 -11.243 -8.605 1.00 0.00 C ATOM 489 C LEU A 31 0.020 -12.188 -7.698 1.00 0.00 C ATOM 490 O LEU A 31 0.017 -13.402 -7.905 1.00 0.00 O ATOM 491 CB LEU A 31 2.194 -10.994 -8.022 1.00 0.00 C ATOM 492 CG LEU A 31 3.286 -11.976 -8.449 1.00 0.00 C ATOM 493 CD1 LEU A 31 4.649 -11.302 -8.427 1.00 0.00 C ATOM 494 CD2 LEU A 31 3.281 -13.203 -7.548 1.00 0.00 C ATOM 0 H LEU A 31 0.648 -9.151 -8.558 1.00 0.00 H new ATOM 0 HA LEU A 31 0.903 -11.710 -9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.508 -9.988 -8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.120 -11.015 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 31 3.080 -12.298 -9.470 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.413 -12.016 -8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.647 -10.455 -9.113 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.865 -10.951 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.064 -13.891 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.462 -12.898 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.313 -13.699 -7.615 1.00 0.00 H new ATOM 506 N VAL A 32 -0.643 -11.623 -6.694 1.00 0.00 N ATOM 507 CA VAL A 32 -1.432 -12.415 -5.758 1.00 0.00 C ATOM 508 C VAL A 32 -2.440 -13.291 -6.492 1.00 0.00 C ATOM 509 O VAL A 32 -2.848 -14.339 -5.992 1.00 0.00 O ATOM 510 CB VAL A 32 -2.182 -11.517 -4.756 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.447 -10.955 -5.386 1.00 0.00 C ATOM 512 CG2 VAL A 32 -2.506 -12.290 -3.487 1.00 0.00 C ATOM 0 H VAL A 32 -0.649 -10.620 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.733 -13.050 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.536 -10.681 -4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.964 -10.323 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.185 -10.363 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.101 -11.775 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.036 -11.640 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.134 -13.147 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.581 -12.638 -3.027 1.00 0.00 H new ATOM 522 N SER A 33 -2.839 -12.854 -7.683 1.00 0.00 N ATOM 523 CA SER A 33 -3.803 -13.597 -8.486 1.00 0.00 C ATOM 524 C SER A 33 -3.107 -14.335 -9.626 1.00 0.00 C ATOM 525 O SER A 33 -3.615 -15.333 -10.136 1.00 0.00 O ATOM 526 CB SER A 33 -4.865 -12.651 -9.050 1.00 0.00 C ATOM 527 OG SER A 33 -5.664 -13.303 -10.022 1.00 0.00 O ATOM 0 H SER A 33 -2.509 -11.990 -8.113 1.00 0.00 H new ATOM 0 HA SER A 33 -4.286 -14.332 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.497 -12.285 -8.241 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.382 -11.781 -9.495 1.00 0.00 H new ATOM 0 HG SER A 33 -6.336 -12.678 -10.366 1.00 0.00 H new ATOM 533 N ALA A 34 -1.940 -13.835 -10.020 1.00 0.00 N ATOM 534 CA ALA A 34 -1.172 -14.447 -11.098 1.00 0.00 C ATOM 535 C ALA A 34 -0.906 -15.921 -10.814 1.00 0.00 C ATOM 536 O ALA A 34 -1.250 -16.430 -9.747 1.00 0.00 O ATOM 537 CB ALA A 34 0.138 -13.701 -11.301 1.00 0.00 C ATOM 0 H ALA A 34 -1.506 -13.008 -9.609 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.760 -14.381 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.701 -14.168 -12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.071 -12.662 -11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.723 -13.737 -10.382 1.00 0.00 H new ATOM 543 N ASP A 35 -0.292 -16.603 -11.775 1.00 0.00 N ATOM 544 CA ASP A 35 0.021 -18.019 -11.628 1.00 0.00 C ATOM 545 C ASP A 35 1.464 -18.212 -11.170 1.00 0.00 C ATOM 546 O ASP A 35 2.241 -18.920 -11.813 1.00 0.00 O ATOM 547 CB ASP A 35 -0.211 -18.755 -12.949 1.00 0.00 C ATOM 548 CG ASP A 35 -1.594 -18.503 -13.516 1.00 0.00 C ATOM 549 OD1 ASP A 35 -1.765 -17.498 -14.236 1.00 0.00 O ATOM 550 OD2 ASP A 35 -2.505 -19.311 -13.239 1.00 0.00 O ATOM 0 H ASP A 35 -0.001 -16.197 -12.665 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.641 -18.435 -10.869 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.539 -18.439 -13.674 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.074 -19.825 -12.794 1.00 0.00 H new ATOM 555 N LEU A 36 1.816 -17.578 -10.057 1.00 0.00 N ATOM 556 CA LEU A 36 3.166 -17.679 -9.514 1.00 0.00 C ATOM 557 C LEU A 36 3.550 -19.136 -9.276 1.00 0.00 C ATOM 558 O LEU A 36 4.691 -19.532 -9.508 1.00 0.00 O ATOM 559 CB LEU A 36 3.271 -16.892 -8.207 1.00 0.00 C ATOM 560 CG LEU A 36 4.670 -16.407 -7.826 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.588 -17.588 -7.553 1.00 0.00 C ATOM 562 CD2 LEU A 36 5.245 -15.523 -8.923 1.00 0.00 C ATOM 0 H LEU A 36 1.186 -16.989 -9.513 1.00 0.00 H new ATOM 0 HA LEU A 36 3.857 -17.255 -10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.614 -16.025 -8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.892 -17.517 -7.398 1.00 0.00 H new ATOM 0 HG LEU A 36 4.593 -15.815 -6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.579 -17.224 -7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.184 -18.181 -6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.660 -18.207 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.241 -15.187 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.308 -16.090 -9.852 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.598 -14.658 -9.069 1.00 0.00 H new ATOM 574 N GLU A 37 2.587 -19.928 -8.813 1.00 0.00 N ATOM 575 CA GLU A 37 2.825 -21.342 -8.545 1.00 0.00 C ATOM 576 C GLU A 37 3.276 -22.067 -9.810 1.00 0.00 C ATOM 577 O GLU A 37 4.205 -22.873 -9.777 1.00 0.00 O ATOM 578 CB GLU A 37 1.560 -21.998 -7.991 1.00 0.00 C ATOM 579 CG GLU A 37 1.319 -21.710 -6.518 1.00 0.00 C ATOM 580 CD GLU A 37 0.152 -20.769 -6.291 1.00 0.00 C ATOM 581 OE1 GLU A 37 0.373 -19.540 -6.289 1.00 0.00 O ATOM 582 OE2 GLU A 37 -0.982 -21.262 -6.115 1.00 0.00 O ATOM 0 H GLU A 37 1.636 -19.615 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 37 3.619 -21.417 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.700 -21.652 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.627 -23.076 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.132 -22.647 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.220 -21.277 -6.084 1.00 0.00 H new ATOM 589 N GLU A 38 2.610 -21.774 -10.922 1.00 0.00 N ATOM 590 CA GLU A 38 2.940 -22.399 -12.197 1.00 0.00 C ATOM 591 C GLU A 38 4.228 -21.814 -12.772 1.00 0.00 C ATOM 592 O GLU A 38 5.103 -22.546 -13.233 1.00 0.00 O ATOM 593 CB GLU A 38 1.794 -22.214 -13.194 1.00 0.00 C ATOM 594 CG GLU A 38 1.813 -23.216 -14.336 1.00 0.00 C ATOM 595 CD GLU A 38 0.512 -23.239 -15.114 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.349 -22.400 -16.024 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.344 -24.097 -14.811 1.00 0.00 O ATOM 0 H GLU A 38 1.839 -21.108 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 38 3.091 -23.464 -12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.845 -22.298 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.841 -21.206 -13.606 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.632 -22.974 -15.013 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.012 -24.211 -13.938 1.00 0.00 H new ATOM 604 N VAL A 39 4.334 -20.490 -12.742 1.00 0.00 N ATOM 605 CA VAL A 39 5.514 -19.806 -13.259 1.00 0.00 C ATOM 606 C VAL A 39 6.776 -20.268 -12.540 1.00 0.00 C ATOM 607 O VAL A 39 7.821 -20.462 -13.162 1.00 0.00 O ATOM 608 CB VAL A 39 5.385 -18.278 -13.114 1.00 0.00 C ATOM 609 CG1 VAL A 39 6.614 -17.582 -13.679 1.00 0.00 C ATOM 610 CG2 VAL A 39 4.120 -17.783 -13.800 1.00 0.00 C ATOM 0 H VAL A 39 3.618 -19.869 -12.365 1.00 0.00 H new ATOM 0 HA VAL A 39 5.588 -20.059 -14.317 1.00 0.00 H new ATOM 0 HB VAL A 39 5.315 -18.036 -12.054 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.505 -16.503 -13.568 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.501 -17.914 -13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.719 -17.829 -14.736 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.045 -16.701 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.158 -18.036 -14.860 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.250 -18.256 -13.345 1.00 0.00 H new ATOM 620 N ALA A 40 6.672 -20.444 -11.227 1.00 0.00 N ATOM 621 CA ALA A 40 7.805 -20.887 -10.424 1.00 0.00 C ATOM 622 C ALA A 40 8.243 -22.293 -10.819 1.00 0.00 C ATOM 623 O ALA A 40 9.433 -22.608 -10.808 1.00 0.00 O ATOM 624 CB ALA A 40 7.454 -20.838 -8.944 1.00 0.00 C ATOM 0 H ALA A 40 5.815 -20.287 -10.697 1.00 0.00 H new ATOM 0 HA ALA A 40 8.638 -20.210 -10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.309 -21.171 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.198 -19.816 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.603 -21.491 -8.750 1.00 0.00 H new ATOM 630 N GLN A 41 7.274 -23.133 -11.168 1.00 0.00 N ATOM 631 CA GLN A 41 7.561 -24.506 -11.566 1.00 0.00 C ATOM 632 C GLN A 41 8.356 -24.541 -12.867 1.00 0.00 C ATOM 633 O GLN A 41 9.397 -25.194 -12.954 1.00 0.00 O ATOM 634 CB GLN A 41 6.261 -25.295 -11.727 1.00 0.00 C ATOM 635 CG GLN A 41 6.205 -26.556 -10.880 1.00 0.00 C ATOM 636 CD GLN A 41 5.846 -26.273 -9.435 1.00 0.00 C ATOM 637 OE1 GLN A 41 5.694 -25.118 -9.036 1.00 0.00 O ATOM 638 NE2 GLN A 41 5.709 -27.329 -8.641 1.00 0.00 N ATOM 0 H GLN A 41 6.284 -22.887 -11.183 1.00 0.00 H new ATOM 0 HA GLN A 41 8.162 -24.967 -10.782 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.421 -24.653 -11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.138 -25.566 -12.776 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.472 -27.242 -11.305 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.172 -27.058 -10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.844 -28.269 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.469 -27.200 -7.658 1.00 0.00 H new ATOM 647 N LYS A 42 7.859 -23.836 -13.877 1.00 0.00 N ATOM 648 CA LYS A 42 8.522 -23.784 -15.174 1.00 0.00 C ATOM 649 C LYS A 42 9.841 -23.023 -15.082 1.00 0.00 C ATOM 650 O LYS A 42 10.847 -23.433 -15.660 1.00 0.00 O ATOM 651 CB LYS A 42 7.611 -23.123 -16.211 1.00 0.00 C ATOM 652 CG LYS A 42 7.168 -21.722 -15.826 1.00 0.00 C ATOM 653 CD LYS A 42 6.145 -21.172 -16.805 1.00 0.00 C ATOM 654 CE LYS A 42 4.805 -21.877 -16.668 1.00 0.00 C ATOM 655 NZ LYS A 42 3.767 -20.986 -16.080 1.00 0.00 N ATOM 0 H LYS A 42 6.998 -23.292 -13.822 1.00 0.00 H new ATOM 0 HA LYS A 42 8.734 -24.807 -15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.134 -23.080 -17.167 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.729 -23.747 -16.358 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.742 -21.737 -14.823 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.034 -21.061 -15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.014 -20.104 -16.634 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.516 -21.288 -17.823 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.475 -22.222 -17.648 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.922 -22.761 -16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.850 -21.176 -16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.694 -21.166 -15.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.032 -19.993 -16.239 1.00 0.00 H new ATOM 669 N CYS A 43 9.827 -21.914 -14.351 1.00 0.00 N ATOM 670 CA CYS A 43 11.023 -21.095 -14.182 1.00 0.00 C ATOM 671 C CYS A 43 12.065 -21.822 -13.339 1.00 0.00 C ATOM 672 O CYS A 43 13.262 -21.562 -13.452 1.00 0.00 O ATOM 673 CB CYS A 43 10.663 -19.759 -13.530 1.00 0.00 C ATOM 674 SG CYS A 43 9.820 -18.602 -14.635 1.00 0.00 S ATOM 0 H CYS A 43 9.002 -21.561 -13.866 1.00 0.00 H new ATOM 0 HA CYS A 43 11.447 -20.907 -15.168 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.027 -19.949 -12.666 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.575 -19.291 -13.158 1.00 0.00 H new ATOM 0 HG CYS A 43 10.613 -17.610 -14.912 1.00 0.00 H new ATOM 680 N GLY A 44 11.601 -22.734 -12.490 1.00 0.00 N ATOM 681 CA GLY A 44 12.506 -23.484 -11.638 1.00 0.00 C ATOM 682 C GLY A 44 12.834 -22.750 -10.353 1.00 0.00 C ATOM 683 O GLY A 44 13.888 -22.969 -9.755 1.00 0.00 O ATOM 0 H GLY A 44 10.614 -22.967 -12.377 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.059 -24.448 -11.398 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.428 -23.687 -12.182 1.00 0.00 H new ATOM 687 N LEU A 45 11.930 -21.874 -9.927 1.00 0.00 N ATOM 688 CA LEU A 45 12.129 -21.103 -8.704 1.00 0.00 C ATOM 689 C LEU A 45 11.473 -21.793 -7.513 1.00 0.00 C ATOM 690 O LEU A 45 10.766 -22.789 -7.671 1.00 0.00 O ATOM 691 CB LEU A 45 11.559 -19.693 -8.869 1.00 0.00 C ATOM 692 CG LEU A 45 11.785 -19.032 -10.229 1.00 0.00 C ATOM 693 CD1 LEU A 45 10.931 -17.781 -10.363 1.00 0.00 C ATOM 694 CD2 LEU A 45 13.258 -18.698 -10.421 1.00 0.00 C ATOM 0 H LEU A 45 11.053 -21.680 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 45 13.201 -21.036 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.486 -19.732 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.995 -19.055 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 45 11.488 -19.735 -11.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.105 -17.324 -11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.878 -18.048 -10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.197 -17.073 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.401 -18.228 -11.394 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.581 -18.013 -9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.848 -19.613 -10.370 1.00 0.00 H new ATOM 706 N SER A 46 11.711 -21.256 -6.320 1.00 0.00 N ATOM 707 CA SER A 46 11.145 -21.821 -5.101 1.00 0.00 C ATOM 708 C SER A 46 9.944 -21.006 -4.631 1.00 0.00 C ATOM 709 O SER A 46 10.095 -19.892 -4.127 1.00 0.00 O ATOM 710 CB SER A 46 12.204 -21.873 -3.998 1.00 0.00 C ATOM 711 OG SER A 46 13.358 -22.571 -4.432 1.00 0.00 O ATOM 0 H SER A 46 12.292 -20.431 -6.172 1.00 0.00 H new ATOM 0 HA SER A 46 10.810 -22.835 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.477 -20.860 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.791 -22.361 -3.115 1.00 0.00 H new ATOM 0 HG SER A 46 14.020 -22.589 -3.710 1.00 0.00 H new ATOM 717 N TYR A 47 8.753 -21.568 -4.799 1.00 0.00 N ATOM 718 CA TYR A 47 7.525 -20.893 -4.395 1.00 0.00 C ATOM 719 C TYR A 47 7.505 -20.655 -2.889 1.00 0.00 C ATOM 720 O TYR A 47 6.863 -19.723 -2.403 1.00 0.00 O ATOM 721 CB TYR A 47 6.305 -21.718 -4.809 1.00 0.00 C ATOM 722 CG TYR A 47 4.999 -21.179 -4.270 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.415 -20.043 -4.818 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.349 -21.805 -3.214 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.222 -19.547 -4.330 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.155 -21.316 -2.720 1.00 0.00 C ATOM 727 CZ TYR A 47 2.596 -20.187 -3.281 1.00 0.00 C ATOM 728 OH TYR A 47 1.408 -19.696 -2.790 1.00 0.00 O ATOM 0 H TYR A 47 8.611 -22.490 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 47 7.489 -19.926 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.253 -21.753 -5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.436 -22.743 -4.463 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.903 -19.539 -5.640 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.784 -22.689 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.782 -18.663 -4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.662 -21.815 -1.899 1.00 0.00 H new ATOM 0 HH TYR A 47 1.099 -20.263 -2.053 1.00 0.00 H new ATOM 738 N LYS A 48 8.213 -21.505 -2.152 1.00 0.00 N ATOM 739 CA LYS A 48 8.280 -21.388 -0.700 1.00 0.00 C ATOM 740 C LYS A 48 8.799 -20.014 -0.289 1.00 0.00 C ATOM 741 O LYS A 48 8.340 -19.437 0.697 1.00 0.00 O ATOM 742 CB LYS A 48 9.183 -22.480 -0.122 1.00 0.00 C ATOM 743 CG LYS A 48 8.737 -23.888 -0.475 1.00 0.00 C ATOM 744 CD LYS A 48 7.524 -24.310 0.337 1.00 0.00 C ATOM 745 CE LYS A 48 7.429 -25.823 0.452 1.00 0.00 C ATOM 746 NZ LYS A 48 6.743 -26.242 1.706 1.00 0.00 N ATOM 0 H LYS A 48 8.749 -22.283 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 48 7.272 -21.510 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.200 -22.328 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.213 -22.379 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.500 -23.940 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.556 -24.585 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.581 -23.871 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.619 -23.922 -0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.888 -26.219 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.430 -26.253 0.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.698 -27.280 1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.272 -25.886 2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.779 -25.853 1.721 1.00 0.00 H new ATOM 760 N ALA A 49 9.756 -19.495 -1.050 1.00 0.00 N ATOM 761 CA ALA A 49 10.334 -18.187 -0.766 1.00 0.00 C ATOM 762 C ALA A 49 9.327 -17.073 -1.030 1.00 0.00 C ATOM 763 O ALA A 49 9.332 -16.044 -0.352 1.00 0.00 O ATOM 764 CB ALA A 49 11.590 -17.973 -1.598 1.00 0.00 C ATOM 0 H ALA A 49 10.148 -19.960 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 49 10.601 -18.157 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.011 -16.992 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.321 -18.745 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.339 -18.028 -2.657 1.00 0.00 H new ATOM 770 N LEU A 50 8.463 -17.284 -2.017 1.00 0.00 N ATOM 771 CA LEU A 50 7.449 -16.296 -2.371 1.00 0.00 C ATOM 772 C LEU A 50 6.334 -16.265 -1.331 1.00 0.00 C ATOM 773 O LEU A 50 5.984 -15.205 -0.812 1.00 0.00 O ATOM 774 CB LEU A 50 6.867 -16.606 -3.751 1.00 0.00 C ATOM 775 CG LEU A 50 6.420 -15.399 -4.577 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.291 -14.661 -3.874 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.592 -14.464 -4.834 1.00 0.00 C ATOM 0 H LEU A 50 8.444 -18.130 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 50 7.925 -15.316 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.614 -17.156 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.012 -17.270 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 50 6.050 -15.757 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.986 -13.805 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.443 -15.333 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.634 -14.315 -2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.255 -13.611 -5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.992 -14.113 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.370 -14.997 -5.380 1.00 0.00 H new ATOM 789 N VAL A 51 5.780 -17.435 -1.029 1.00 0.00 N ATOM 790 CA VAL A 51 4.707 -17.543 -0.048 1.00 0.00 C ATOM 791 C VAL A 51 5.142 -16.993 1.305 1.00 0.00 C ATOM 792 O VAL A 51 4.356 -16.362 2.012 1.00 0.00 O ATOM 793 CB VAL A 51 4.250 -19.003 0.126 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.425 -19.888 0.511 1.00 0.00 C ATOM 795 CG2 VAL A 51 3.141 -19.094 1.163 1.00 0.00 C ATOM 0 H VAL A 51 6.057 -18.322 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 51 3.873 -16.952 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 51 3.856 -19.358 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.083 -20.916 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.184 -19.846 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.852 -19.537 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.830 -20.133 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.506 -18.721 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.291 -18.493 0.840 1.00 0.00 H new ATOM 805 N ALA A 52 6.399 -17.236 1.660 1.00 0.00 N ATOM 806 CA ALA A 52 6.940 -16.764 2.928 1.00 0.00 C ATOM 807 C ALA A 52 6.819 -15.248 3.046 1.00 0.00 C ATOM 808 O ALA A 52 6.400 -14.727 4.081 1.00 0.00 O ATOM 809 CB ALA A 52 8.393 -17.192 3.075 1.00 0.00 C ATOM 0 H ALA A 52 7.062 -17.757 1.087 1.00 0.00 H new ATOM 0 HA ALA A 52 6.357 -17.213 3.732 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.784 -16.832 4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.457 -18.280 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.981 -16.771 2.259 1.00 0.00 H new ATOM 815 N LEU A 53 7.188 -14.545 1.981 1.00 0.00 N ATOM 816 CA LEU A 53 7.121 -13.088 1.965 1.00 0.00 C ATOM 817 C LEU A 53 5.673 -12.610 1.942 1.00 0.00 C ATOM 818 O LEU A 53 5.309 -11.666 2.644 1.00 0.00 O ATOM 819 CB LEU A 53 7.871 -12.537 0.751 1.00 0.00 C ATOM 820 CG LEU A 53 9.394 -12.477 0.874 1.00 0.00 C ATOM 821 CD1 LEU A 53 10.041 -12.475 -0.502 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.818 -11.249 1.666 1.00 0.00 C ATOM 0 H LEU A 53 7.537 -14.960 1.117 1.00 0.00 H new ATOM 0 HA LEU A 53 7.592 -12.717 2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.620 -13.150 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.503 -11.531 0.547 1.00 0.00 H new ATOM 0 HG LEU A 53 9.731 -13.364 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.125 -12.432 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.765 -13.385 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.697 -11.607 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.905 -11.223 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.469 -10.350 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.384 -11.293 2.665 1.00 0.00 H new ATOM 834 N ARG A 54 4.850 -13.269 1.133 1.00 0.00 N ATOM 835 CA ARG A 54 3.441 -12.912 1.020 1.00 0.00 C ATOM 836 C ARG A 54 2.736 -13.047 2.366 1.00 0.00 C ATOM 837 O ARG A 54 1.977 -12.167 2.772 1.00 0.00 O ATOM 838 CB ARG A 54 2.751 -13.795 -0.021 1.00 0.00 C ATOM 839 CG ARG A 54 2.458 -13.080 -1.330 1.00 0.00 C ATOM 840 CD ARG A 54 1.285 -13.713 -2.061 1.00 0.00 C ATOM 841 NE ARG A 54 1.611 -14.030 -3.448 1.00 0.00 N ATOM 842 CZ ARG A 54 0.884 -14.843 -4.207 1.00 0.00 C ATOM 843 NH1 ARG A 54 -0.206 -15.416 -3.715 1.00 0.00 N ATOM 844 NH2 ARG A 54 1.245 -15.082 -5.461 1.00 0.00 N ATOM 0 H ARG A 54 5.135 -14.053 0.546 1.00 0.00 H new ATOM 0 HA ARG A 54 3.380 -11.872 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.380 -14.662 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.816 -14.170 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.241 -12.030 -1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.342 -13.108 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.983 -14.623 -1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.433 -13.034 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 54 2.443 -13.604 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.488 -15.233 -2.752 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.762 -16.040 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.082 -14.641 -5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.686 -15.706 -6.042 1.00 0.00 H new ATOM 858 N ARG A 55 2.991 -14.156 3.053 1.00 0.00 N ATOM 859 CA ARG A 55 2.379 -14.408 4.352 1.00 0.00 C ATOM 860 C ARG A 55 2.732 -13.302 5.342 1.00 0.00 C ATOM 861 O ARG A 55 1.888 -12.860 6.122 1.00 0.00 O ATOM 862 CB ARG A 55 2.834 -15.762 4.900 1.00 0.00 C ATOM 863 CG ARG A 55 1.844 -16.392 5.866 1.00 0.00 C ATOM 864 CD ARG A 55 2.415 -16.478 7.272 1.00 0.00 C ATOM 865 NE ARG A 55 1.916 -17.643 7.996 1.00 0.00 N ATOM 866 CZ ARG A 55 2.359 -18.879 7.793 1.00 0.00 C ATOM 867 NH1 ARG A 55 3.305 -19.109 6.893 1.00 0.00 N ATOM 868 NH2 ARG A 55 1.855 -19.889 8.492 1.00 0.00 N ATOM 0 H ARG A 55 3.617 -14.894 2.732 1.00 0.00 H new ATOM 0 HA ARG A 55 1.297 -14.423 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.000 -16.445 4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.792 -15.637 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.925 -15.806 5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.580 -17.391 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.503 -16.523 7.219 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.160 -15.573 7.823 1.00 0.00 H new ATOM 0 HE ARG A 55 1.188 -17.500 8.696 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.695 -18.336 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.643 -20.059 6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.127 -19.716 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.196 -20.838 8.336 1.00 0.00 H new ATOM 882 N VAL A 56 3.985 -12.860 5.307 1.00 0.00 N ATOM 883 CA VAL A 56 4.450 -11.806 6.200 1.00 0.00 C ATOM 884 C VAL A 56 3.822 -10.464 5.840 1.00 0.00 C ATOM 885 O VAL A 56 3.468 -9.676 6.718 1.00 0.00 O ATOM 886 CB VAL A 56 5.983 -11.671 6.159 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.446 -10.551 7.079 1.00 0.00 C ATOM 888 CG2 VAL A 56 6.644 -12.988 6.535 1.00 0.00 C ATOM 0 H VAL A 56 4.697 -13.216 4.669 1.00 0.00 H new ATOM 0 HA VAL A 56 4.145 -12.088 7.208 1.00 0.00 H new ATOM 0 HB VAL A 56 6.281 -11.419 5.141 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.532 -10.471 7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.000 -9.609 6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.138 -10.769 8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.727 -12.874 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.341 -13.273 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.338 -13.762 5.832 1.00 0.00 H new ATOM 898 N LEU A 57 3.686 -10.210 4.543 1.00 0.00 N ATOM 899 CA LEU A 57 3.099 -8.963 4.066 1.00 0.00 C ATOM 900 C LEU A 57 1.634 -8.857 4.477 1.00 0.00 C ATOM 901 O LEU A 57 1.196 -7.828 4.992 1.00 0.00 O ATOM 902 CB LEU A 57 3.221 -8.869 2.544 1.00 0.00 C ATOM 903 CG LEU A 57 4.573 -8.396 2.007 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.645 -8.588 0.500 1.00 0.00 C ATOM 905 CD2 LEU A 57 4.812 -6.939 2.372 1.00 0.00 C ATOM 0 H LEU A 57 3.974 -10.851 3.803 1.00 0.00 H new ATOM 0 HA LEU A 57 3.645 -8.136 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.008 -9.851 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.450 -8.190 2.179 1.00 0.00 H new ATOM 0 HG LEU A 57 5.356 -8.998 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.614 -8.246 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.520 -9.644 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.853 -8.012 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.778 -6.620 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.024 -6.322 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.805 -6.830 3.456 1.00 0.00 H new ATOM 917 N LEU A 58 0.882 -9.928 4.249 1.00 0.00 N ATOM 918 CA LEU A 58 -0.534 -9.957 4.598 1.00 0.00 C ATOM 919 C LEU A 58 -0.720 -10.045 6.109 1.00 0.00 C ATOM 920 O LEU A 58 -1.678 -9.502 6.659 1.00 0.00 O ATOM 921 CB LEU A 58 -1.223 -11.141 3.918 1.00 0.00 C ATOM 922 CG LEU A 58 -1.082 -12.493 4.618 1.00 0.00 C ATOM 923 CD1 LEU A 58 -2.206 -12.692 5.624 1.00 0.00 C ATOM 924 CD2 LEU A 58 -1.069 -13.623 3.600 1.00 0.00 C ATOM 0 H LEU A 58 1.229 -10.788 3.824 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.989 -9.030 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.285 -10.912 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.826 -11.235 2.907 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.134 -12.505 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.090 -13.659 6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.169 -11.900 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.166 -12.659 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.968 -14.577 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.001 -13.614 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.229 -13.489 2.918 1.00 0.00 H new ATOM 936 N ALA A 59 0.203 -10.732 6.775 1.00 0.00 N ATOM 937 CA ALA A 59 0.142 -10.888 8.223 1.00 0.00 C ATOM 938 C ALA A 59 0.115 -9.532 8.920 1.00 0.00 C ATOM 939 O ALA A 59 -0.724 -9.287 9.787 1.00 0.00 O ATOM 940 CB ALA A 59 1.322 -11.713 8.715 1.00 0.00 C ATOM 0 H ALA A 59 1.001 -11.189 6.335 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.781 -11.412 8.469 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.264 -11.822 9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.296 -12.698 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.253 -11.211 8.450 1.00 0.00 H new ATOM 946 N GLN A 60 1.039 -8.656 8.537 1.00 0.00 N ATOM 947 CA GLN A 60 1.120 -7.325 9.128 1.00 0.00 C ATOM 948 C GLN A 60 0.016 -6.422 8.589 1.00 0.00 C ATOM 949 O GLN A 60 -0.551 -5.612 9.323 1.00 0.00 O ATOM 950 CB GLN A 60 2.488 -6.702 8.846 1.00 0.00 C ATOM 951 CG GLN A 60 2.789 -6.540 7.364 1.00 0.00 C ATOM 952 CD GLN A 60 4.252 -6.249 7.094 1.00 0.00 C ATOM 953 OE1 GLN A 60 5.138 -6.829 7.722 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.513 -5.346 6.156 1.00 0.00 N ATOM 0 H GLN A 60 1.741 -8.844 7.821 1.00 0.00 H new ATOM 0 HA GLN A 60 0.989 -7.424 10.205 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.540 -5.726 9.328 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.261 -7.322 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.500 -7.449 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.181 -5.731 6.960 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.747 -4.890 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.479 -5.109 5.931 1.00 0.00 H new ATOM 963 N PHE A 61 -0.285 -6.566 7.303 1.00 0.00 N ATOM 964 CA PHE A 61 -1.321 -5.762 6.665 1.00 0.00 C ATOM 965 C PHE A 61 -2.675 -5.992 7.331 1.00 0.00 C ATOM 966 O PHE A 61 -3.445 -5.053 7.537 1.00 0.00 O ATOM 967 CB PHE A 61 -1.410 -6.095 5.175 1.00 0.00 C ATOM 968 CG PHE A 61 -2.347 -5.200 4.415 1.00 0.00 C ATOM 969 CD1 PHE A 61 -2.108 -3.838 4.330 1.00 0.00 C ATOM 970 CD2 PHE A 61 -3.466 -5.721 3.786 1.00 0.00 C ATOM 971 CE1 PHE A 61 -2.969 -3.012 3.632 1.00 0.00 C ATOM 972 CE2 PHE A 61 -4.331 -4.900 3.087 1.00 0.00 C ATOM 973 CZ PHE A 61 -4.081 -3.544 3.009 1.00 0.00 C ATOM 0 H PHE A 61 0.174 -7.232 6.682 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.053 -4.712 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.415 -6.024 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.736 -7.129 5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.239 -3.417 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.665 -6.781 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.772 -1.952 3.574 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.201 -5.318 2.603 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.754 -2.901 2.462 1.00 0.00 H new