USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 498 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 201 TYR OH : rot 0:sc= -0.24 USER MOD Set 1.2: A 246 ASN : amide:sc= -1.01 K(o=-1.3,f=-1.9!) USER MOD Set 2.1: A 183 LYS NZ :NH3+ -151:sc= -0.657 (180deg=-1.45) USER MOD Set 2.2: A 229 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 193 THR OG1 : rot -43:sc= 0.14 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot 12:sc= 0.704 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.35! USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.134) USER MOD Single : A 244 TYR OH : rot 150:sc= 0 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -16.3! C(o=-22!,f=-16!) USER MOD Single : A 250 SER OG : rot 180:sc= 0 USER MOD Single : A 251 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 252 CYS SG : rot 180:sc= -4.41! USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.852 8.424 -4.907 1.00 0.00 N ATOM 2 CA LYS A 183 -0.647 7.207 -5.741 1.00 0.00 C ATOM 3 C LYS A 183 -1.070 6.011 -4.909 1.00 0.00 C ATOM 4 O LYS A 183 -1.094 6.077 -3.700 1.00 0.00 O ATOM 5 CB LYS A 183 0.845 7.192 -6.059 1.00 0.00 C ATOM 6 CG LYS A 183 1.382 5.749 -6.223 1.00 0.00 C ATOM 7 CD LYS A 183 1.813 5.558 -7.667 1.00 0.00 C ATOM 8 CE LYS A 183 3.337 5.661 -7.773 1.00 0.00 C ATOM 9 NZ LYS A 183 3.651 7.083 -7.460 1.00 0.00 N ATOM 0 HA LYS A 183 -1.224 7.188 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.027 7.754 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.392 7.695 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.223 5.579 -5.551 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.611 5.025 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.479 4.586 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.344 6.312 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.828 4.985 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.682 5.391 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.520 7.364 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.864 7.688 -7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.789 7.190 -6.435 1.00 0.00 H new ATOM 23 N ILE A 184 -1.397 4.918 -5.520 1.00 0.00 N ATOM 24 CA ILE A 184 -1.793 3.754 -4.709 1.00 0.00 C ATOM 25 C ILE A 184 -1.015 2.513 -5.154 1.00 0.00 C ATOM 26 O ILE A 184 -0.295 2.542 -6.133 1.00 0.00 O ATOM 27 CB ILE A 184 -3.293 3.575 -4.943 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.566 3.453 -6.444 1.00 0.00 C ATOM 29 CG2 ILE A 184 -4.048 4.782 -4.383 1.00 0.00 C ATOM 30 CD1 ILE A 184 -4.736 2.495 -6.672 1.00 0.00 C ATOM 0 H ILE A 184 -1.407 4.782 -6.531 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.576 3.900 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.632 2.670 -4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -3.797 4.432 -6.864 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.677 3.087 -6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.117 4.652 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.856 4.867 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.709 5.688 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.931 2.407 -7.741 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.487 1.514 -6.267 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.624 2.880 -6.171 1.00 0.00 H new ATOM 42 N PHE A 185 -1.147 1.424 -4.449 1.00 0.00 N ATOM 43 CA PHE A 185 -0.405 0.197 -4.850 1.00 0.00 C ATOM 44 C PHE A 185 -1.332 -1.016 -4.849 1.00 0.00 C ATOM 45 O PHE A 185 -2.114 -1.213 -3.944 1.00 0.00 O ATOM 46 CB PHE A 185 0.742 0.070 -3.828 1.00 0.00 C ATOM 47 CG PHE A 185 0.879 -1.344 -3.288 1.00 0.00 C ATOM 48 CD1 PHE A 185 0.894 -2.445 -4.157 1.00 0.00 C ATOM 49 CD2 PHE A 185 0.993 -1.547 -1.908 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.019 -3.742 -3.642 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.120 -2.843 -1.396 1.00 0.00 C ATOM 52 CZ PHE A 185 1.132 -3.941 -2.263 1.00 0.00 C ATOM 0 H PHE A 185 -1.732 1.331 -3.619 1.00 0.00 H new ATOM 0 HA PHE A 185 -0.012 0.254 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.679 0.370 -4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.566 0.757 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 185 0.809 -2.293 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 185 0.983 -0.701 -1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.028 -4.589 -4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.209 -2.996 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.228 -4.941 -1.867 1.00 0.00 H new ATOM 62 N VAL A 186 -1.237 -1.832 -5.863 1.00 0.00 N ATOM 63 CA VAL A 186 -2.100 -3.040 -5.934 1.00 0.00 C ATOM 64 C VAL A 186 -1.275 -4.304 -5.708 1.00 0.00 C ATOM 65 O VAL A 186 -0.197 -4.464 -6.253 1.00 0.00 O ATOM 66 CB VAL A 186 -2.663 -3.054 -7.350 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.507 -4.321 -7.550 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.535 -1.816 -7.571 1.00 0.00 C ATOM 0 H VAL A 186 -0.596 -1.712 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.880 -3.014 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.842 -3.046 -8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -3.911 -4.333 -8.562 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -2.883 -5.202 -7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.327 -4.329 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.936 -1.829 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.357 -1.818 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.934 -0.918 -7.431 1.00 0.00 H new ATOM 78 N GLY A 187 -1.785 -5.215 -4.931 1.00 0.00 N ATOM 79 CA GLY A 187 -1.047 -6.484 -4.693 1.00 0.00 C ATOM 80 C GLY A 187 -1.799 -7.613 -5.381 1.00 0.00 C ATOM 81 O GLY A 187 -2.049 -8.660 -4.818 1.00 0.00 O ATOM 0 H GLY A 187 -2.681 -5.136 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 187 -0.032 -6.411 -5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.964 -6.680 -3.624 1.00 0.00 H new ATOM 148 N THR A 193 -0.656 -6.844 -15.958 1.00 0.00 N ATOM 149 CA THR A 193 -0.947 -5.527 -15.313 1.00 0.00 C ATOM 150 C THR A 193 -1.800 -4.652 -16.245 1.00 0.00 C ATOM 151 O THR A 193 -1.279 -4.009 -17.135 1.00 0.00 O ATOM 152 CB THR A 193 0.431 -4.906 -15.079 1.00 0.00 C ATOM 153 OG1 THR A 193 1.345 -5.403 -16.048 1.00 0.00 O ATOM 154 CG2 THR A 193 0.916 -5.280 -13.679 1.00 0.00 C ATOM 0 HA THR A 193 -1.513 -5.626 -14.387 1.00 0.00 H new ATOM 0 HB THR A 193 0.367 -3.822 -15.167 1.00 0.00 H new ATOM 0 HG1 THR A 193 1.211 -6.367 -16.160 1.00 0.00 H new ATOM 0 HG21 THR A 193 1.898 -4.841 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 193 0.213 -4.902 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 193 0.984 -6.365 -13.595 1.00 0.00 H new ATOM 162 N PRO A 194 -3.095 -4.674 -16.020 1.00 0.00 N ATOM 163 CA PRO A 194 -4.043 -3.897 -16.859 1.00 0.00 C ATOM 164 C PRO A 194 -3.950 -2.389 -16.582 1.00 0.00 C ATOM 165 O PRO A 194 -4.126 -1.947 -15.470 1.00 0.00 O ATOM 166 CB PRO A 194 -5.404 -4.438 -16.408 1.00 0.00 C ATOM 167 CG PRO A 194 -5.175 -5.496 -15.310 1.00 0.00 C ATOM 168 CD PRO A 194 -3.690 -5.479 -14.926 1.00 0.00 C ATOM 0 HA PRO A 194 -3.849 -4.005 -17.926 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.026 -3.627 -16.028 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -5.935 -4.878 -17.252 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -5.795 -5.280 -14.440 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.463 -6.484 -15.669 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.527 -5.023 -13.949 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.269 -6.483 -14.883 1.00 0.00 H new ATOM 176 N GLU A 195 -3.704 -1.619 -17.610 1.00 0.00 N ATOM 177 CA GLU A 195 -3.633 -0.131 -17.500 1.00 0.00 C ATOM 178 C GLU A 195 -4.970 0.453 -17.868 1.00 0.00 C ATOM 179 O GLU A 195 -5.638 1.065 -17.077 1.00 0.00 O ATOM 180 CB GLU A 195 -2.642 0.379 -18.548 1.00 0.00 C ATOM 181 CG GLU A 195 -1.747 -0.751 -19.077 1.00 0.00 C ATOM 182 CD GLU A 195 -2.378 -1.364 -20.329 1.00 0.00 C ATOM 183 OE1 GLU A 195 -2.931 -0.614 -21.117 1.00 0.00 O ATOM 184 OE2 GLU A 195 -2.298 -2.572 -20.478 1.00 0.00 O ATOM 0 H GLU A 195 -3.544 -1.973 -18.553 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.342 0.146 -16.487 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -3.188 0.830 -19.377 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -2.021 1.162 -18.112 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -0.755 -0.364 -19.310 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -1.619 -1.516 -18.311 1.00 0.00 H new ATOM 191 N GLU A 196 -5.346 0.285 -19.101 1.00 0.00 N ATOM 192 CA GLU A 196 -6.620 0.860 -19.550 1.00 0.00 C ATOM 193 C GLU A 196 -7.704 0.464 -18.561 1.00 0.00 C ATOM 194 O GLU A 196 -8.428 1.289 -18.041 1.00 0.00 O ATOM 195 CB GLU A 196 -6.885 0.259 -20.929 1.00 0.00 C ATOM 196 CG GLU A 196 -8.233 0.760 -21.452 1.00 0.00 C ATOM 197 CD GLU A 196 -9.178 -0.425 -21.664 1.00 0.00 C ATOM 198 OE1 GLU A 196 -8.705 -1.549 -21.636 1.00 0.00 O ATOM 199 OE2 GLU A 196 -10.359 -0.187 -21.853 1.00 0.00 O ATOM 0 H GLU A 196 -4.821 -0.226 -19.810 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.600 1.948 -19.606 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -6.088 0.538 -21.619 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -6.888 -0.829 -20.869 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -8.670 1.463 -20.743 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -8.093 1.298 -22.390 1.00 0.00 H new ATOM 206 N LYS A 197 -7.784 -0.800 -18.272 1.00 0.00 N ATOM 207 CA LYS A 197 -8.786 -1.267 -17.275 1.00 0.00 C ATOM 208 C LYS A 197 -8.432 -0.616 -15.944 1.00 0.00 C ATOM 209 O LYS A 197 -9.270 -0.389 -15.095 1.00 0.00 O ATOM 210 CB LYS A 197 -8.612 -2.787 -17.208 1.00 0.00 C ATOM 211 CG LYS A 197 -9.810 -3.468 -17.874 1.00 0.00 C ATOM 212 CD LYS A 197 -10.709 -4.084 -16.800 1.00 0.00 C ATOM 213 CE LYS A 197 -10.815 -5.594 -17.025 1.00 0.00 C ATOM 214 NZ LYS A 197 -11.859 -5.755 -18.076 1.00 0.00 N ATOM 0 H LYS A 197 -7.201 -1.531 -18.681 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.816 -1.013 -17.525 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.689 -3.080 -17.708 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.528 -3.109 -16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.373 -2.743 -18.463 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -9.467 -4.240 -18.562 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -10.301 -3.881 -15.810 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -11.699 -3.630 -16.836 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -9.862 -6.013 -17.348 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -11.096 -6.111 -16.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -11.988 -6.766 -18.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -12.757 -5.354 -17.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -11.561 -5.258 -18.940 1.00 0.00 H new ATOM 228 N ILE A 198 -7.178 -0.287 -15.785 1.00 0.00 N ATOM 229 CA ILE A 198 -6.726 0.383 -14.545 1.00 0.00 C ATOM 230 C ILE A 198 -7.313 1.789 -14.519 1.00 0.00 C ATOM 231 O ILE A 198 -8.086 2.135 -13.656 1.00 0.00 O ATOM 232 CB ILE A 198 -5.181 0.379 -14.635 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.639 -0.320 -13.398 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.604 1.805 -14.648 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.326 -1.677 -13.223 1.00 0.00 C ATOM 0 H ILE A 198 -6.444 -0.458 -16.473 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.048 -0.106 -13.626 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.895 -0.124 -15.559 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.562 -0.457 -13.490 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -4.807 0.299 -12.517 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.517 1.757 -14.712 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.995 2.348 -15.509 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -4.891 2.322 -13.732 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.933 -2.172 -12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.400 -1.529 -13.110 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -5.135 -2.297 -14.099 1.00 0.00 H new ATOM 247 N ARG A 199 -6.974 2.594 -15.480 1.00 0.00 N ATOM 248 CA ARG A 199 -7.539 3.962 -15.520 1.00 0.00 C ATOM 249 C ARG A 199 -9.060 3.840 -15.483 1.00 0.00 C ATOM 250 O ARG A 199 -9.757 4.671 -14.939 1.00 0.00 O ATOM 251 CB ARG A 199 -7.061 4.547 -16.853 1.00 0.00 C ATOM 252 CG ARG A 199 -7.932 5.749 -17.228 1.00 0.00 C ATOM 253 CD ARG A 199 -7.089 6.764 -18.004 1.00 0.00 C ATOM 254 NE ARG A 199 -7.579 8.098 -17.555 1.00 0.00 N ATOM 255 CZ ARG A 199 -7.850 9.022 -18.435 1.00 0.00 C ATOM 256 NH1 ARG A 199 -8.824 8.846 -19.286 1.00 0.00 N ATOM 257 NH2 ARG A 199 -7.147 10.121 -18.468 1.00 0.00 N ATOM 0 H ARG A 199 -6.331 2.363 -16.238 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.231 4.595 -14.687 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.017 4.852 -16.775 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.114 3.789 -17.634 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -8.779 5.424 -17.833 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -8.341 6.211 -16.329 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -6.027 6.641 -17.790 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -7.213 6.640 -19.080 1.00 0.00 H new ATOM 0 HE ARG A 199 -7.702 8.288 -16.561 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -9.373 7.986 -19.263 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -9.037 9.568 -19.974 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -6.384 10.259 -17.805 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -7.360 10.842 -19.157 1.00 0.00 H new ATOM 271 N GLU A 200 -9.566 2.776 -16.043 1.00 0.00 N ATOM 272 CA GLU A 200 -11.034 2.537 -16.039 1.00 0.00 C ATOM 273 C GLU A 200 -11.519 2.423 -14.614 1.00 0.00 C ATOM 274 O GLU A 200 -12.537 2.979 -14.252 1.00 0.00 O ATOM 275 CB GLU A 200 -11.206 1.228 -16.821 1.00 0.00 C ATOM 276 CG GLU A 200 -12.465 0.484 -16.375 1.00 0.00 C ATOM 277 CD GLU A 200 -13.707 1.232 -16.866 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.544 2.292 -17.448 1.00 0.00 O ATOM 279 OE2 GLU A 200 -14.798 0.730 -16.655 1.00 0.00 O ATOM 0 H GLU A 200 -9.016 2.054 -16.509 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.614 3.341 -16.491 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -11.265 1.443 -17.888 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -10.332 0.594 -16.672 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -12.459 -0.531 -16.772 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -12.484 0.401 -15.288 1.00 0.00 H new ATOM 286 N TYR A 201 -10.809 1.734 -13.786 1.00 0.00 N ATOM 287 CA TYR A 201 -11.276 1.647 -12.395 1.00 0.00 C ATOM 288 C TYR A 201 -10.644 2.767 -11.579 1.00 0.00 C ATOM 289 O TYR A 201 -11.300 3.702 -11.168 1.00 0.00 O ATOM 290 CB TYR A 201 -10.815 0.288 -11.876 1.00 0.00 C ATOM 291 CG TYR A 201 -11.803 -0.236 -10.860 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.175 -0.217 -11.137 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.342 -0.744 -9.639 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.086 -0.708 -10.193 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.252 -1.234 -8.696 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.624 -1.216 -8.973 1.00 0.00 C ATOM 297 OH TYR A 201 -14.522 -1.698 -8.042 1.00 0.00 O ATOM 0 H TYR A 201 -9.945 1.238 -14.005 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.359 1.747 -12.321 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.724 -0.415 -12.704 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.827 0.378 -11.423 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.531 0.176 -12.078 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.283 -0.758 -9.425 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.145 -0.695 -10.406 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -11.896 -1.626 -7.755 1.00 0.00 H new ATOM 0 HH TYR A 201 -15.434 -1.610 -8.391 1.00 0.00 H new ATOM 307 N PHE A 202 -9.364 2.674 -11.349 1.00 0.00 N ATOM 308 CA PHE A 202 -8.676 3.723 -10.566 1.00 0.00 C ATOM 309 C PHE A 202 -8.932 5.086 -11.203 1.00 0.00 C ATOM 310 O PHE A 202 -9.364 6.020 -10.552 1.00 0.00 O ATOM 311 CB PHE A 202 -7.187 3.359 -10.618 1.00 0.00 C ATOM 312 CG PHE A 202 -6.960 2.063 -9.884 1.00 0.00 C ATOM 313 CD1 PHE A 202 -7.224 1.972 -8.513 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.483 0.951 -10.584 1.00 0.00 C ATOM 315 CE1 PHE A 202 -7.012 0.764 -7.840 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.271 -0.258 -9.910 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.535 -0.352 -8.538 1.00 0.00 C ATOM 0 H PHE A 202 -8.768 1.912 -11.673 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.031 3.779 -9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.861 3.264 -11.654 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.592 4.153 -10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -7.591 2.833 -7.975 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.278 1.024 -11.642 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -7.216 0.692 -6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -5.904 -1.119 -10.449 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.371 -1.285 -8.019 1.00 0.00 H new ATOM 327 N GLY A 203 -8.703 5.205 -12.481 1.00 0.00 N ATOM 328 CA GLY A 203 -8.972 6.499 -13.151 1.00 0.00 C ATOM 329 C GLY A 203 -10.427 6.865 -12.871 1.00 0.00 C ATOM 330 O GLY A 203 -10.820 8.012 -12.936 1.00 0.00 O ATOM 0 H GLY A 203 -8.343 4.465 -13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.303 7.272 -12.775 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.796 6.420 -14.224 1.00 0.00 H new ATOM 334 N GLY A 204 -11.225 5.882 -12.538 1.00 0.00 N ATOM 335 CA GLY A 204 -12.653 6.147 -12.224 1.00 0.00 C ATOM 336 C GLY A 204 -12.733 6.866 -10.880 1.00 0.00 C ATOM 337 O GLY A 204 -13.440 7.842 -10.731 1.00 0.00 O ATOM 0 H GLY A 204 -10.943 4.904 -12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.105 6.757 -13.006 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.211 5.212 -12.186 1.00 0.00 H new ATOM 341 N PHE A 205 -12.002 6.403 -9.898 1.00 0.00 N ATOM 342 CA PHE A 205 -12.038 7.088 -8.575 1.00 0.00 C ATOM 343 C PHE A 205 -11.675 8.556 -8.770 1.00 0.00 C ATOM 344 O PHE A 205 -12.133 9.430 -8.063 1.00 0.00 O ATOM 345 CB PHE A 205 -10.980 6.383 -7.735 1.00 0.00 C ATOM 346 CG PHE A 205 -11.478 5.013 -7.363 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.283 3.938 -8.236 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.132 4.820 -6.145 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.748 2.664 -7.886 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.598 3.552 -5.793 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.406 2.471 -6.663 1.00 0.00 C ATOM 0 H PHE A 205 -11.389 5.590 -9.955 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.018 7.047 -8.099 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.047 6.305 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.766 6.962 -6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.775 4.090 -9.177 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.278 5.653 -5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.600 1.831 -8.557 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.106 3.405 -4.851 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.765 1.489 -6.392 1.00 0.00 H new ATOM 361 N GLY A 206 -10.850 8.816 -9.740 1.00 0.00 N ATOM 362 CA GLY A 206 -10.427 10.211 -10.029 1.00 0.00 C ATOM 363 C GLY A 206 -9.433 10.165 -11.182 1.00 0.00 C ATOM 364 O GLY A 206 -8.593 9.290 -11.238 1.00 0.00 O ATOM 0 H GLY A 206 -10.444 8.110 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.288 10.825 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.970 10.662 -9.148 1.00 0.00 H new ATOM 368 N GLU A 207 -9.522 11.078 -12.110 1.00 0.00 N ATOM 369 CA GLU A 207 -8.570 11.047 -13.255 1.00 0.00 C ATOM 370 C GLU A 207 -7.169 10.720 -12.751 1.00 0.00 C ATOM 371 O GLU A 207 -6.758 11.151 -11.693 1.00 0.00 O ATOM 372 CB GLU A 207 -8.602 12.443 -13.865 1.00 0.00 C ATOM 373 CG GLU A 207 -8.187 13.472 -12.810 1.00 0.00 C ATOM 374 CD GLU A 207 -8.828 14.822 -13.136 1.00 0.00 C ATOM 375 OE1 GLU A 207 -8.411 15.435 -14.106 1.00 0.00 O ATOM 376 OE2 GLU A 207 -9.723 15.222 -12.410 1.00 0.00 O ATOM 0 H GLU A 207 -10.205 11.836 -12.126 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.842 10.288 -13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.929 12.493 -14.721 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.603 12.668 -14.233 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.498 13.139 -11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -7.102 13.568 -12.788 1.00 0.00 H new ATOM 383 N VAL A 208 -6.442 9.944 -13.493 1.00 0.00 N ATOM 384 CA VAL A 208 -5.078 9.567 -13.055 1.00 0.00 C ATOM 385 C VAL A 208 -4.033 10.410 -13.775 1.00 0.00 C ATOM 386 O VAL A 208 -4.207 10.799 -14.912 1.00 0.00 O ATOM 387 CB VAL A 208 -4.945 8.097 -13.463 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.464 7.712 -13.571 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.631 7.222 -12.414 1.00 0.00 C ATOM 0 H VAL A 208 -6.735 9.553 -14.388 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.925 9.724 -11.987 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.418 7.947 -14.434 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.381 6.665 -13.862 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.979 8.337 -14.321 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.978 7.861 -12.607 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.540 6.174 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.157 7.377 -11.445 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.686 7.490 -12.350 1.00 0.00 H new ATOM 399 N GLU A 209 -2.929 10.646 -13.137 1.00 0.00 N ATOM 400 CA GLU A 209 -1.847 11.407 -13.803 1.00 0.00 C ATOM 401 C GLU A 209 -1.010 10.381 -14.549 1.00 0.00 C ATOM 402 O GLU A 209 -0.833 10.450 -15.749 1.00 0.00 O ATOM 403 CB GLU A 209 -1.053 12.061 -12.670 1.00 0.00 C ATOM 404 CG GLU A 209 0.293 12.556 -13.205 1.00 0.00 C ATOM 405 CD GLU A 209 0.529 13.992 -12.736 1.00 0.00 C ATOM 406 OE1 GLU A 209 -0.094 14.885 -13.288 1.00 0.00 O ATOM 407 OE2 GLU A 209 1.328 14.176 -11.833 1.00 0.00 O ATOM 0 H GLU A 209 -2.729 10.345 -12.183 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.187 12.170 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.617 12.894 -12.251 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.894 11.345 -11.863 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.097 11.910 -12.852 1.00 0.00 H new ATOM 0 HG3 GLU A 209 0.303 12.511 -14.294 1.00 0.00 H new ATOM 414 N SER A 210 -0.549 9.387 -13.845 1.00 0.00 N ATOM 415 CA SER A 210 0.213 8.303 -14.495 1.00 0.00 C ATOM 416 C SER A 210 0.043 7.048 -13.653 1.00 0.00 C ATOM 417 O SER A 210 -0.517 7.096 -12.578 1.00 0.00 O ATOM 418 CB SER A 210 1.668 8.769 -14.523 1.00 0.00 C ATOM 419 OG SER A 210 1.825 9.757 -15.534 1.00 0.00 O ATOM 0 H SER A 210 -0.672 9.284 -12.838 1.00 0.00 H new ATOM 0 HA SER A 210 -0.123 8.081 -15.508 1.00 0.00 H new ATOM 0 HB2 SER A 210 1.950 9.177 -13.552 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.329 7.924 -14.718 1.00 0.00 H new ATOM 0 HG SER A 210 0.943 10.046 -15.849 1.00 0.00 H new ATOM 425 N ILE A 211 0.520 5.930 -14.099 1.00 0.00 N ATOM 426 CA ILE A 211 0.369 4.714 -13.263 1.00 0.00 C ATOM 427 C ILE A 211 1.726 4.086 -13.005 1.00 0.00 C ATOM 428 O ILE A 211 2.757 4.648 -13.314 1.00 0.00 O ATOM 429 CB ILE A 211 -0.512 3.755 -14.048 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.127 3.463 -15.408 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.891 4.376 -14.246 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.828 2.614 -16.249 1.00 0.00 C ATOM 0 H ILE A 211 1.000 5.802 -14.990 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.074 4.953 -12.296 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.614 2.821 -13.495 1.00 0.00 H new ATOM 0 HG12 ILE A 211 0.351 4.396 -15.924 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.073 2.939 -15.272 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.522 3.688 -14.809 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.344 4.572 -13.274 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.793 5.312 -14.796 1.00 0.00 H new ATOM 0 HD11 ILE A 211 -0.373 2.406 -17.217 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -1.030 1.675 -15.734 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.763 3.155 -16.396 1.00 0.00 H new ATOM 444 N GLU A 212 1.731 2.923 -12.436 1.00 0.00 N ATOM 445 CA GLU A 212 3.022 2.249 -12.148 1.00 0.00 C ATOM 446 C GLU A 212 2.842 0.734 -12.175 1.00 0.00 C ATOM 447 O GLU A 212 1.972 0.192 -11.533 1.00 0.00 O ATOM 448 CB GLU A 212 3.395 2.719 -10.746 1.00 0.00 C ATOM 449 CG GLU A 212 4.510 1.826 -10.193 1.00 0.00 C ATOM 450 CD GLU A 212 5.352 2.620 -9.192 1.00 0.00 C ATOM 451 OE1 GLU A 212 4.876 3.641 -8.725 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.460 2.194 -8.911 1.00 0.00 O ATOM 0 H GLU A 212 0.897 2.406 -12.156 1.00 0.00 H new ATOM 0 HA GLU A 212 3.792 2.488 -12.881 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.725 3.757 -10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.523 2.679 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.081 0.949 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.138 1.465 -11.007 1.00 0.00 H new ATOM 459 N LEU A 213 3.654 0.037 -12.905 1.00 0.00 N ATOM 460 CA LEU A 213 3.500 -1.437 -12.939 1.00 0.00 C ATOM 461 C LEU A 213 4.570 -2.090 -12.086 1.00 0.00 C ATOM 462 O LEU A 213 5.430 -1.417 -11.554 1.00 0.00 O ATOM 463 CB LEU A 213 3.650 -1.830 -14.401 1.00 0.00 C ATOM 464 CG LEU A 213 2.376 -1.461 -15.176 1.00 0.00 C ATOM 465 CD1 LEU A 213 2.314 -2.275 -16.470 1.00 0.00 C ATOM 466 CD2 LEU A 213 1.134 -1.769 -14.326 1.00 0.00 C ATOM 0 H LEU A 213 4.410 0.417 -13.474 1.00 0.00 H new ATOM 0 HA LEU A 213 2.538 -1.760 -12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.511 -1.322 -14.836 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.837 -2.901 -14.481 1.00 0.00 H new ATOM 0 HG LEU A 213 2.398 -0.396 -15.408 1.00 0.00 H new ATOM 0 HD11 LEU A 213 1.410 -2.014 -17.021 1.00 0.00 H new ATOM 0 HD12 LEU A 213 3.189 -2.053 -17.082 1.00 0.00 H new ATOM 0 HD13 LEU A 213 2.299 -3.338 -16.231 1.00 0.00 H new ATOM 0 HD21 LEU A 213 0.236 -1.504 -14.884 1.00 0.00 H new ATOM 0 HD22 LEU A 213 1.112 -2.832 -14.086 1.00 0.00 H new ATOM 0 HD23 LEU A 213 1.172 -1.190 -13.403 1.00 0.00 H new ATOM 478 N PRO A 214 4.473 -3.383 -11.944 1.00 0.00 N ATOM 479 CA PRO A 214 5.432 -4.096 -11.108 1.00 0.00 C ATOM 480 C PRO A 214 6.822 -4.109 -11.751 1.00 0.00 C ATOM 481 O PRO A 214 7.781 -4.576 -11.170 1.00 0.00 O ATOM 482 CB PRO A 214 4.831 -5.505 -11.022 1.00 0.00 C ATOM 483 CG PRO A 214 3.522 -5.519 -11.832 1.00 0.00 C ATOM 484 CD PRO A 214 3.417 -4.192 -12.589 1.00 0.00 C ATOM 0 HA PRO A 214 5.580 -3.639 -10.130 1.00 0.00 H new ATOM 0 HB2 PRO A 214 5.531 -6.242 -11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 214 4.638 -5.774 -9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 214 3.515 -6.357 -12.529 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.666 -5.648 -11.170 1.00 0.00 H new ATOM 0 HD2 PRO A 214 3.595 -4.317 -13.657 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.432 -3.738 -12.481 1.00 0.00 H new ATOM 662 N PHE A 225 4.272 -6.143 -7.239 1.00 0.00 N ATOM 663 CA PHE A 225 2.922 -5.485 -7.276 1.00 0.00 C ATOM 664 C PHE A 225 2.880 -4.396 -8.345 1.00 0.00 C ATOM 665 O PHE A 225 3.856 -4.117 -9.002 1.00 0.00 O ATOM 666 CB PHE A 225 2.705 -4.864 -5.886 1.00 0.00 C ATOM 667 CG PHE A 225 3.996 -4.294 -5.341 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.838 -3.525 -6.159 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.354 -4.543 -4.010 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.031 -3.007 -5.644 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.549 -4.023 -3.496 1.00 0.00 C ATOM 672 CZ PHE A 225 6.387 -3.255 -4.314 1.00 0.00 C ATOM 0 HA PHE A 225 2.144 -6.209 -7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 225 1.953 -4.077 -5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.319 -5.620 -5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.565 -3.333 -7.186 1.00 0.00 H new ATOM 0 HD2 PHE A 225 3.708 -5.136 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.678 -2.415 -6.274 1.00 0.00 H new ATOM 0 HE2 PHE A 225 5.824 -4.214 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.308 -2.854 -3.918 1.00 0.00 H new ATOM 682 N CYS A 226 1.753 -3.773 -8.517 1.00 0.00 N ATOM 683 CA CYS A 226 1.637 -2.694 -9.544 1.00 0.00 C ATOM 684 C CYS A 226 1.053 -1.427 -8.888 1.00 0.00 C ATOM 685 O CYS A 226 -0.050 -1.451 -8.380 1.00 0.00 O ATOM 686 CB CYS A 226 0.651 -3.230 -10.598 1.00 0.00 C ATOM 687 SG CYS A 226 -0.640 -4.248 -9.836 1.00 0.00 S ATOM 0 H CYS A 226 0.900 -3.962 -7.991 1.00 0.00 H new ATOM 0 HA CYS A 226 2.602 -2.439 -9.983 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.193 -2.395 -11.128 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.192 -3.819 -11.338 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.452 -4.679 -10.755 1.00 0.00 H new ATOM 693 N PHE A 227 1.756 -0.320 -8.895 1.00 0.00 N ATOM 694 CA PHE A 227 1.173 0.910 -8.266 1.00 0.00 C ATOM 695 C PHE A 227 0.504 1.776 -9.331 1.00 0.00 C ATOM 696 O PHE A 227 0.353 1.391 -10.470 1.00 0.00 O ATOM 697 CB PHE A 227 2.330 1.716 -7.643 1.00 0.00 C ATOM 698 CG PHE A 227 2.855 1.081 -6.372 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.014 -0.307 -6.267 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.210 1.907 -5.293 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.522 -0.866 -5.086 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.723 1.346 -4.116 1.00 0.00 C ATOM 703 CZ PHE A 227 3.878 -0.040 -4.012 1.00 0.00 C ATOM 0 H PHE A 227 2.687 -0.213 -9.298 1.00 0.00 H new ATOM 0 HA PHE A 227 0.435 0.626 -7.516 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.141 1.801 -8.366 1.00 0.00 H new ATOM 0 HB3 PHE A 227 1.989 2.728 -7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.745 -0.946 -7.095 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.087 2.977 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.639 -1.936 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 227 3.999 1.984 -3.289 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.272 -0.473 -3.104 1.00 0.00 H new ATOM 713 N ILE A 228 0.131 2.958 -8.953 1.00 0.00 N ATOM 714 CA ILE A 228 -0.505 3.908 -9.903 1.00 0.00 C ATOM 715 C ILE A 228 -0.473 5.294 -9.250 1.00 0.00 C ATOM 716 O ILE A 228 -0.727 5.417 -8.069 1.00 0.00 O ATOM 717 CB ILE A 228 -1.947 3.418 -10.073 1.00 0.00 C ATOM 718 CG1 ILE A 228 -1.967 2.255 -11.081 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.821 4.578 -10.568 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.289 2.229 -11.855 1.00 0.00 C ATOM 0 H ILE A 228 0.241 3.317 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.006 3.963 -10.870 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.341 3.066 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.135 2.357 -11.777 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.829 1.310 -10.556 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.848 4.233 -10.690 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.795 5.389 -9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.442 4.936 -11.525 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.281 1.399 -12.562 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.117 2.103 -11.157 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.411 3.166 -12.398 1.00 0.00 H new ATOM 732 N THR A 229 -0.160 6.340 -9.965 1.00 0.00 N ATOM 733 CA THR A 229 -0.124 7.669 -9.297 1.00 0.00 C ATOM 734 C THR A 229 -1.271 8.530 -9.788 1.00 0.00 C ATOM 735 O THR A 229 -1.665 8.476 -10.936 1.00 0.00 O ATOM 736 CB THR A 229 1.226 8.285 -9.674 1.00 0.00 C ATOM 737 OG1 THR A 229 1.484 9.404 -8.837 1.00 0.00 O ATOM 738 CG2 THR A 229 1.202 8.736 -11.134 1.00 0.00 C ATOM 0 H THR A 229 0.067 6.334 -10.959 1.00 0.00 H new ATOM 0 HA THR A 229 -0.231 7.587 -8.215 1.00 0.00 H new ATOM 0 HB THR A 229 2.010 7.540 -9.542 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.349 9.799 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.166 9.173 -11.396 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.007 7.878 -11.777 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.417 9.479 -11.272 1.00 0.00 H new ATOM 746 N PHE A 230 -1.813 9.318 -8.920 1.00 0.00 N ATOM 747 CA PHE A 230 -2.956 10.189 -9.338 1.00 0.00 C ATOM 748 C PHE A 230 -2.507 11.644 -9.533 1.00 0.00 C ATOM 749 O PHE A 230 -1.389 11.911 -9.923 1.00 0.00 O ATOM 750 CB PHE A 230 -3.999 10.072 -8.227 1.00 0.00 C ATOM 751 CG PHE A 230 -4.503 8.647 -8.140 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.394 7.783 -9.240 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.085 8.189 -6.952 1.00 0.00 C ATOM 754 CE1 PHE A 230 -4.865 6.468 -9.149 1.00 0.00 C ATOM 755 CE2 PHE A 230 -5.556 6.873 -6.862 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.446 6.013 -7.961 1.00 0.00 C ATOM 0 H PHE A 230 -1.526 9.405 -7.945 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.364 9.873 -10.298 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.563 10.371 -7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.830 10.749 -8.424 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.946 8.133 -10.158 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -5.171 8.852 -6.103 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.780 5.804 -9.997 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -6.004 6.522 -5.944 1.00 0.00 H new ATOM 0 HZ PHE A 230 -5.810 4.998 -7.892 1.00 0.00 H new ATOM 766 N LYS A 231 -3.388 12.583 -9.302 1.00 0.00 N ATOM 767 CA LYS A 231 -3.032 14.015 -9.517 1.00 0.00 C ATOM 768 C LYS A 231 -2.983 14.796 -8.198 1.00 0.00 C ATOM 769 O LYS A 231 -1.935 15.223 -7.759 1.00 0.00 O ATOM 770 CB LYS A 231 -4.164 14.540 -10.395 1.00 0.00 C ATOM 771 CG LYS A 231 -3.633 14.826 -11.801 1.00 0.00 C ATOM 772 CD LYS A 231 -4.513 15.883 -12.472 1.00 0.00 C ATOM 773 CE LYS A 231 -4.492 17.167 -11.640 1.00 0.00 C ATOM 774 NZ LYS A 231 -4.036 18.227 -12.582 1.00 0.00 N ATOM 0 H LYS A 231 -4.339 12.418 -8.973 1.00 0.00 H new ATOM 0 HA LYS A 231 -2.044 14.126 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -4.971 13.808 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.582 15.448 -9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -2.602 15.176 -11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.629 13.911 -12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.153 16.085 -13.481 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -5.535 15.515 -12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.480 17.394 -11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -3.816 17.076 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -3.996 19.139 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -3.091 17.987 -12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.703 18.295 -13.377 1.00 0.00 H new ATOM 788 N GLU A 232 -4.111 15.007 -7.576 1.00 0.00 N ATOM 789 CA GLU A 232 -4.124 15.782 -6.301 1.00 0.00 C ATOM 790 C GLU A 232 -3.853 14.874 -5.102 1.00 0.00 C ATOM 791 O GLU A 232 -2.831 14.975 -4.453 1.00 0.00 O ATOM 792 CB GLU A 232 -5.535 16.362 -6.212 1.00 0.00 C ATOM 793 CG GLU A 232 -5.908 16.998 -7.548 1.00 0.00 C ATOM 794 CD GLU A 232 -4.895 18.091 -7.890 1.00 0.00 C ATOM 795 OE1 GLU A 232 -3.795 17.748 -8.289 1.00 0.00 O ATOM 796 OE2 GLU A 232 -5.236 19.253 -7.745 1.00 0.00 O ATOM 0 H GLU A 232 -5.022 14.677 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 232 -3.352 16.551 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.247 15.577 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -5.585 17.105 -5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -5.922 16.241 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.911 17.420 -7.495 1.00 0.00 H new ATOM 803 N GLU A 233 -4.775 13.999 -4.797 1.00 0.00 N ATOM 804 CA GLU A 233 -4.605 13.080 -3.627 1.00 0.00 C ATOM 805 C GLU A 233 -5.969 12.457 -3.271 1.00 0.00 C ATOM 806 O GLU A 233 -6.065 11.372 -2.723 1.00 0.00 O ATOM 807 CB GLU A 233 -4.129 13.973 -2.472 1.00 0.00 C ATOM 808 CG GLU A 233 -4.884 15.305 -2.495 1.00 0.00 C ATOM 809 CD GLU A 233 -5.011 15.841 -1.068 1.00 0.00 C ATOM 810 OE1 GLU A 233 -4.321 15.331 -0.201 1.00 0.00 O ATOM 811 OE2 GLU A 233 -5.796 16.753 -0.866 1.00 0.00 O ATOM 0 H GLU A 233 -5.647 13.879 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.902 12.273 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.293 13.469 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.057 14.151 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -4.355 16.025 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.873 15.168 -2.933 1.00 0.00 H new ATOM 818 N GLU A 234 -7.023 13.168 -3.578 1.00 0.00 N ATOM 819 CA GLU A 234 -8.406 12.691 -3.275 1.00 0.00 C ATOM 820 C GLU A 234 -8.712 11.303 -3.870 1.00 0.00 C ATOM 821 O GLU A 234 -9.296 10.473 -3.194 1.00 0.00 O ATOM 822 CB GLU A 234 -9.318 13.742 -3.906 1.00 0.00 C ATOM 823 CG GLU A 234 -9.585 14.861 -2.898 1.00 0.00 C ATOM 824 CD GLU A 234 -10.716 15.751 -3.413 1.00 0.00 C ATOM 825 OE1 GLU A 234 -10.450 16.576 -4.272 1.00 0.00 O ATOM 826 OE2 GLU A 234 -11.829 15.594 -2.942 1.00 0.00 O ATOM 0 H GLU A 234 -6.982 14.079 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.546 12.577 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.853 14.150 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -10.258 13.285 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -9.853 14.437 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -8.682 15.453 -2.747 1.00 0.00 H new ATOM 833 N PRO A 235 -8.349 11.078 -5.114 1.00 0.00 N ATOM 834 CA PRO A 235 -8.652 9.774 -5.742 1.00 0.00 C ATOM 835 C PRO A 235 -8.129 8.626 -4.877 1.00 0.00 C ATOM 836 O PRO A 235 -8.695 7.551 -4.863 1.00 0.00 O ATOM 837 CB PRO A 235 -7.945 9.872 -7.095 1.00 0.00 C ATOM 838 CG PRO A 235 -7.279 11.257 -7.200 1.00 0.00 C ATOM 839 CD PRO A 235 -7.623 12.071 -5.943 1.00 0.00 C ATOM 0 HA PRO A 235 -9.717 9.568 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -7.198 9.084 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.659 9.733 -7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -6.199 11.149 -7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.628 11.776 -8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.729 12.444 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.242 12.937 -6.176 1.00 0.00 H new ATOM 847 N VAL A 236 -7.084 8.842 -4.124 1.00 0.00 N ATOM 848 CA VAL A 236 -6.594 7.748 -3.241 1.00 0.00 C ATOM 849 C VAL A 236 -7.449 7.724 -1.987 1.00 0.00 C ATOM 850 O VAL A 236 -7.741 6.685 -1.440 1.00 0.00 O ATOM 851 CB VAL A 236 -5.156 8.087 -2.871 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.725 7.214 -1.691 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.252 7.799 -4.054 1.00 0.00 C ATOM 0 H VAL A 236 -6.557 9.714 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.647 6.776 -3.732 1.00 0.00 H new ATOM 0 HB VAL A 236 -5.085 9.141 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.696 7.451 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.378 7.405 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.794 6.163 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.222 8.041 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.322 6.743 -4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.562 8.406 -4.905 1.00 0.00 H new ATOM 863 N LYS A 237 -7.866 8.870 -1.533 1.00 0.00 N ATOM 864 CA LYS A 237 -8.723 8.904 -0.317 1.00 0.00 C ATOM 865 C LYS A 237 -9.785 7.833 -0.454 1.00 0.00 C ATOM 866 O LYS A 237 -10.047 7.056 0.445 1.00 0.00 O ATOM 867 CB LYS A 237 -9.403 10.266 -0.326 1.00 0.00 C ATOM 868 CG LYS A 237 -9.131 10.989 0.993 1.00 0.00 C ATOM 869 CD LYS A 237 -9.569 12.450 0.877 1.00 0.00 C ATOM 870 CE LYS A 237 -11.096 12.533 0.940 1.00 0.00 C ATOM 871 NZ LYS A 237 -11.389 13.932 1.359 1.00 0.00 N ATOM 0 H LYS A 237 -7.653 9.778 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.151 8.739 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -9.034 10.862 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.477 10.146 -0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -9.670 10.501 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.070 10.935 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -9.129 13.037 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -9.210 12.875 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -11.544 12.309 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -11.501 11.815 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -12.418 14.066 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -10.956 14.114 2.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -10.997 14.593 0.658 1.00 0.00 H new ATOM 885 N LYS A 238 -10.395 7.792 -1.599 1.00 0.00 N ATOM 886 CA LYS A 238 -11.447 6.780 -1.827 1.00 0.00 C ATOM 887 C LYS A 238 -10.817 5.407 -1.986 1.00 0.00 C ATOM 888 O LYS A 238 -11.068 4.496 -1.223 1.00 0.00 O ATOM 889 CB LYS A 238 -12.132 7.175 -3.129 1.00 0.00 C ATOM 890 CG LYS A 238 -13.649 7.183 -2.931 1.00 0.00 C ATOM 891 CD LYS A 238 -14.194 8.587 -3.212 1.00 0.00 C ATOM 892 CE LYS A 238 -14.221 9.396 -1.912 1.00 0.00 C ATOM 893 NZ LYS A 238 -13.764 10.760 -2.299 1.00 0.00 N ATOM 0 H LYS A 238 -10.209 8.416 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.148 6.738 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.792 8.161 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.862 6.475 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -14.117 6.459 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.895 6.883 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.571 9.089 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -15.197 8.521 -3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -15.223 9.422 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -13.564 8.958 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -13.756 11.374 -1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -12.805 10.705 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -14.412 11.154 -3.010 1.00 0.00 H new ATOM 907 N ILE A 239 -9.999 5.260 -2.987 1.00 0.00 N ATOM 908 CA ILE A 239 -9.344 3.949 -3.219 1.00 0.00 C ATOM 909 C ILE A 239 -8.856 3.384 -1.884 1.00 0.00 C ATOM 910 O ILE A 239 -9.353 2.390 -1.395 1.00 0.00 O ATOM 911 CB ILE A 239 -8.164 4.244 -4.148 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.675 4.434 -5.579 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.176 3.075 -4.110 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.165 3.094 -6.134 1.00 0.00 C ATOM 0 H ILE A 239 -9.756 5.992 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 239 -10.018 3.214 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.662 5.153 -3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.486 5.162 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.880 4.831 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.336 3.287 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.810 2.940 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.677 2.164 -4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.528 3.233 -7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.343 2.379 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -9.974 2.715 -5.509 1.00 0.00 H new ATOM 926 N MET A 240 -7.894 4.027 -1.282 1.00 0.00 N ATOM 927 CA MET A 240 -7.382 3.544 0.031 1.00 0.00 C ATOM 928 C MET A 240 -8.553 3.190 0.952 1.00 0.00 C ATOM 929 O MET A 240 -8.498 2.235 1.702 1.00 0.00 O ATOM 930 CB MET A 240 -6.588 4.720 0.602 1.00 0.00 C ATOM 931 CG MET A 240 -5.410 4.193 1.423 1.00 0.00 C ATOM 932 SD MET A 240 -5.782 4.350 3.187 1.00 0.00 S ATOM 933 CE MET A 240 -5.309 2.672 3.676 1.00 0.00 C ATOM 0 H MET A 240 -7.440 4.866 -1.643 1.00 0.00 H new ATOM 0 HA MET A 240 -6.769 2.648 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 240 -6.226 5.354 -0.207 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.233 5.338 1.227 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.217 3.150 1.173 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.506 4.751 1.180 1.00 0.00 H new ATOM 0 HE1 MET A 240 -5.462 2.549 4.748 1.00 0.00 H new ATOM 0 HE2 MET A 240 -5.922 1.950 3.137 1.00 0.00 H new ATOM 0 HE3 MET A 240 -4.258 2.506 3.438 1.00 0.00 H new ATOM 943 N GLU A 241 -9.616 3.949 0.900 1.00 0.00 N ATOM 944 CA GLU A 241 -10.792 3.651 1.771 1.00 0.00 C ATOM 945 C GLU A 241 -11.333 2.247 1.473 1.00 0.00 C ATOM 946 O GLU A 241 -12.113 1.699 2.225 1.00 0.00 O ATOM 947 CB GLU A 241 -11.828 4.716 1.410 1.00 0.00 C ATOM 948 CG GLU A 241 -12.290 5.429 2.681 1.00 0.00 C ATOM 949 CD GLU A 241 -13.367 4.593 3.372 1.00 0.00 C ATOM 950 OE1 GLU A 241 -13.789 3.607 2.789 1.00 0.00 O ATOM 951 OE2 GLU A 241 -13.752 4.951 4.473 1.00 0.00 O ATOM 0 H GLU A 241 -9.721 4.762 0.293 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.538 3.671 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.398 5.435 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.679 4.255 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -11.445 5.581 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -12.683 6.416 2.435 1.00 0.00 H new ATOM 958 N LYS A 242 -10.915 1.661 0.384 1.00 0.00 N ATOM 959 CA LYS A 242 -11.390 0.290 0.035 1.00 0.00 C ATOM 960 C LYS A 242 -10.186 -0.585 -0.309 1.00 0.00 C ATOM 961 O LYS A 242 -10.156 -1.248 -1.323 1.00 0.00 O ATOM 962 CB LYS A 242 -12.292 0.476 -1.187 1.00 0.00 C ATOM 963 CG LYS A 242 -13.755 0.292 -0.778 1.00 0.00 C ATOM 964 CD LYS A 242 -14.017 -1.182 -0.463 1.00 0.00 C ATOM 965 CE LYS A 242 -15.379 -1.323 0.221 1.00 0.00 C ATOM 966 NZ LYS A 242 -16.266 -1.931 -0.810 1.00 0.00 N ATOM 0 H LYS A 242 -10.262 2.074 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.925 -0.194 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.145 1.469 -1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -12.027 -0.245 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -13.980 0.906 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -14.413 0.625 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -13.996 -1.770 -1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -13.231 -1.572 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -15.312 -1.955 1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -15.759 -0.355 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -17.220 -2.059 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -16.315 -1.304 -1.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -15.883 -2.854 -1.097 1.00 0.00 H new ATOM 980 N LYS A 243 -9.194 -0.550 0.537 1.00 0.00 N ATOM 981 CA LYS A 243 -7.934 -1.334 0.325 1.00 0.00 C ATOM 982 C LYS A 243 -8.139 -2.597 -0.528 1.00 0.00 C ATOM 983 O LYS A 243 -7.252 -3.000 -1.252 1.00 0.00 O ATOM 984 CB LYS A 243 -7.480 -1.721 1.733 1.00 0.00 C ATOM 985 CG LYS A 243 -6.223 -0.930 2.103 1.00 0.00 C ATOM 986 CD LYS A 243 -5.021 -1.876 2.161 1.00 0.00 C ATOM 987 CE LYS A 243 -4.943 -2.521 3.545 1.00 0.00 C ATOM 988 NZ LYS A 243 -3.659 -3.278 3.543 1.00 0.00 N ATOM 0 H LYS A 243 -9.201 0.005 1.393 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.203 -0.739 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.274 -1.517 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.275 -2.791 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.046 -0.145 1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -6.360 -0.440 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -5.114 -2.646 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -4.103 -1.327 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -4.957 -1.768 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -5.791 -3.182 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -3.648 -3.945 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -3.568 -3.805 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -2.864 -2.614 3.636 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.268 -3.243 -0.448 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.450 -4.482 -1.265 1.00 0.00 C ATOM 1004 C TYR A 244 -10.581 -4.284 -2.289 1.00 0.00 C ATOM 1005 O TYR A 244 -11.734 -4.539 -2.005 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.824 -5.556 -0.241 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.239 -6.891 -0.646 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -7.861 -7.000 -0.867 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.057 -8.023 -0.763 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.301 -8.234 -1.213 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.496 -9.258 -1.100 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.118 -9.365 -1.327 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.567 -10.585 -1.659 1.00 0.00 O ATOM 0 H TYR A 244 -10.061 -2.976 0.135 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.560 -4.747 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.455 -5.273 0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -10.909 -5.634 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.229 -6.130 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.120 -7.941 -0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.239 -8.314 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.126 -10.131 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.095 -11.304 -1.253 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.261 -3.831 -3.479 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.326 -3.624 -4.513 1.00 0.00 C ATOM 1025 C HIS A 245 -11.375 -4.815 -5.478 1.00 0.00 C ATOM 1026 O HIS A 245 -11.137 -5.946 -5.103 1.00 0.00 O ATOM 1027 CB HIS A 245 -10.936 -2.363 -5.292 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.356 -1.316 -4.383 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -9.170 -1.251 -3.702 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -10.997 -0.112 -4.138 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -9.065 -0.027 -3.051 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -10.193 0.621 -3.347 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.314 -3.597 -3.778 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.305 -3.528 -4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.210 -2.620 -6.064 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.813 -1.961 -5.800 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -11.965 0.184 -4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.247 0.323 -2.438 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.418 1.558 -3.014 1.00 0.00 H new ATOM 1040 N ASN A 246 -11.679 -4.558 -6.726 1.00 0.00 N ATOM 1041 CA ASN A 246 -11.745 -5.656 -7.735 1.00 0.00 C ATOM 1042 C ASN A 246 -11.200 -5.169 -9.082 1.00 0.00 C ATOM 1043 O ASN A 246 -11.455 -4.056 -9.500 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.230 -5.994 -7.851 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.008 -4.736 -8.243 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -13.917 -4.276 -9.363 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.772 -4.155 -7.359 1.00 0.00 N ATOM 0 H ASN A 246 -11.885 -3.628 -7.090 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.150 -6.522 -7.445 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -13.379 -6.775 -8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -13.601 -6.384 -6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -15.293 -3.314 -7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -14.848 -4.542 -6.418 1.00 0.00 H new ATOM 1054 N VAL A 247 -10.453 -5.994 -9.767 1.00 0.00 N ATOM 1055 CA VAL A 247 -9.896 -5.575 -11.087 1.00 0.00 C ATOM 1056 C VAL A 247 -9.721 -6.795 -11.999 1.00 0.00 C ATOM 1057 O VAL A 247 -9.067 -7.756 -11.646 1.00 0.00 O ATOM 1058 CB VAL A 247 -8.538 -4.950 -10.767 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -7.753 -4.741 -12.063 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -8.746 -3.598 -10.077 1.00 0.00 C ATOM 0 H VAL A 247 -10.205 -6.938 -9.471 1.00 0.00 H new ATOM 0 HA VAL A 247 -10.553 -4.878 -11.608 1.00 0.00 H new ATOM 0 HB VAL A 247 -7.981 -5.615 -10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -6.785 -4.295 -11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -7.603 -5.701 -12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -8.311 -4.077 -12.723 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -7.777 -3.153 -9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.304 -2.934 -10.738 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.305 -3.743 -9.153 1.00 0.00 H new ATOM 1070 N GLY A 248 -10.293 -6.758 -13.171 1.00 0.00 N ATOM 1071 CA GLY A 248 -10.155 -7.909 -14.108 1.00 0.00 C ATOM 1072 C GLY A 248 -10.588 -9.202 -13.415 1.00 0.00 C ATOM 1073 O GLY A 248 -9.806 -10.115 -13.238 1.00 0.00 O ATOM 0 H GLY A 248 -10.851 -5.979 -13.521 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -10.764 -7.741 -14.996 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -9.121 -7.994 -14.442 1.00 0.00 H new ATOM 1077 N LEU A 249 -11.829 -9.290 -13.024 1.00 0.00 N ATOM 1078 CA LEU A 249 -12.310 -10.529 -12.347 1.00 0.00 C ATOM 1079 C LEU A 249 -11.366 -10.918 -11.205 1.00 0.00 C ATOM 1080 O LEU A 249 -11.299 -12.064 -10.807 1.00 0.00 O ATOM 1081 CB LEU A 249 -12.302 -11.603 -13.437 1.00 0.00 C ATOM 1082 CG LEU A 249 -13.403 -11.305 -14.458 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -13.222 -12.204 -15.682 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -14.771 -11.577 -13.827 1.00 0.00 C ATOM 0 H LEU A 249 -12.531 -8.559 -13.143 1.00 0.00 H new ATOM 0 HA LEU A 249 -13.298 -10.398 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -11.331 -11.627 -13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -12.459 -12.586 -12.994 1.00 0.00 H new ATOM 0 HG LEU A 249 -13.342 -10.260 -14.762 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -14.006 -11.991 -16.409 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -12.248 -12.013 -16.133 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -13.283 -13.249 -15.378 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -15.555 -11.365 -14.554 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -14.830 -12.622 -13.524 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -14.903 -10.938 -12.954 1.00 0.00 H new ATOM 1096 N SER A 250 -10.637 -9.975 -10.673 1.00 0.00 N ATOM 1097 CA SER A 250 -9.703 -10.295 -9.553 1.00 0.00 C ATOM 1098 C SER A 250 -9.873 -9.271 -8.432 1.00 0.00 C ATOM 1099 O SER A 250 -10.241 -8.139 -8.670 1.00 0.00 O ATOM 1100 CB SER A 250 -8.303 -10.195 -10.161 1.00 0.00 C ATOM 1101 OG SER A 250 -7.402 -10.985 -9.397 1.00 0.00 O ATOM 0 H SER A 250 -10.647 -8.998 -10.964 1.00 0.00 H new ATOM 0 HA SER A 250 -9.888 -11.280 -9.124 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.318 -10.538 -11.196 1.00 0.00 H new ATOM 0 HB3 SER A 250 -7.973 -9.156 -10.174 1.00 0.00 H new ATOM 0 HG SER A 250 -6.504 -10.925 -9.785 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.614 -9.648 -7.209 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.774 -8.669 -6.100 1.00 0.00 C ATOM 1109 C LYS A 251 -8.403 -8.225 -5.573 1.00 0.00 C ATOM 1110 O LYS A 251 -8.184 -8.118 -4.384 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.610 -9.393 -5.031 1.00 0.00 C ATOM 1112 CG LYS A 251 -9.708 -10.153 -4.057 1.00 0.00 C ATOM 1113 CD LYS A 251 -10.526 -11.215 -3.321 1.00 0.00 C ATOM 1114 CE LYS A 251 -11.262 -12.094 -4.335 1.00 0.00 C ATOM 1115 NZ LYS A 251 -11.453 -13.399 -3.645 1.00 0.00 N ATOM 0 H LYS A 251 -9.303 -10.579 -6.933 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.273 -7.754 -6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.215 -8.669 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.300 -10.087 -5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -8.886 -10.623 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -9.264 -9.461 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -9.871 -11.828 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -11.242 -10.737 -2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -12.218 -11.654 -4.619 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -10.681 -12.212 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -11.952 -14.057 -4.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -10.526 -13.797 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -12.015 -13.256 -2.782 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.496 -7.935 -6.470 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.137 -7.459 -6.064 1.00 0.00 C ATOM 1131 C CYS A 252 -6.250 -6.574 -4.822 1.00 0.00 C ATOM 1132 O CYS A 252 -7.272 -5.958 -4.590 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.663 -6.631 -7.257 1.00 0.00 C ATOM 1134 SG CYS A 252 -6.749 -5.198 -7.467 1.00 0.00 S ATOM 0 H CYS A 252 -7.639 -8.008 -7.477 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.455 -8.274 -5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -4.636 -6.302 -7.100 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -5.668 -7.240 -8.161 1.00 0.00 H new ATOM 0 HG CYS A 252 -6.345 -4.492 -8.481 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.220 -6.476 -4.032 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.324 -5.589 -2.836 1.00 0.00 C ATOM 1142 C GLU A 253 -4.924 -4.190 -3.243 1.00 0.00 C ATOM 1143 O GLU A 253 -4.469 -3.964 -4.343 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.385 -6.122 -1.745 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.192 -6.863 -2.349 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.173 -7.170 -1.251 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -2.593 -7.447 -0.140 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -0.988 -7.122 -1.540 1.00 0.00 O ATOM 0 H GLU A 253 -4.329 -6.958 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.343 -5.572 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.029 -5.293 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.935 -6.792 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.525 -7.788 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.731 -6.257 -3.129 1.00 0.00 H new ATOM 1155 N ILE A 254 -5.116 -3.237 -2.390 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.768 -1.847 -2.788 1.00 0.00 C ATOM 1157 C ILE A 254 -4.286 -1.014 -1.598 1.00 0.00 C ATOM 1158 O ILE A 254 -5.061 -0.356 -0.933 1.00 0.00 O ATOM 1159 CB ILE A 254 -6.072 -1.283 -3.372 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -6.188 -1.696 -4.844 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -6.088 0.248 -3.283 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.844 -3.076 -4.951 1.00 0.00 C ATOM 0 H ILE A 254 -5.492 -3.350 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.944 -1.822 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.910 -1.680 -2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.778 -0.961 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -5.200 -1.717 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -7.020 0.627 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -6.009 0.553 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -5.246 0.654 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.922 -3.361 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.237 -3.809 -4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.840 -3.041 -4.509 1.00 0.00 H new ATOM 1174 N LYS A 255 -3.005 -0.996 -1.363 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.468 -0.157 -0.259 1.00 0.00 C ATOM 1176 C LYS A 255 -1.919 1.117 -0.896 1.00 0.00 C ATOM 1177 O LYS A 255 -1.008 1.071 -1.693 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.352 -0.979 0.398 1.00 0.00 C ATOM 1179 CG LYS A 255 -1.748 -2.456 0.433 1.00 0.00 C ATOM 1180 CD LYS A 255 -0.846 -3.206 1.415 1.00 0.00 C ATOM 1181 CE LYS A 255 -1.038 -4.713 1.234 1.00 0.00 C ATOM 1182 NZ LYS A 255 0.213 -5.327 1.760 1.00 0.00 N ATOM 0 H LYS A 255 -2.308 -1.525 -1.887 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.212 0.115 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -0.422 -0.855 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -1.170 -0.618 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -2.791 -2.556 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -1.659 -2.890 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 255 0.197 -2.938 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -1.086 -2.918 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -1.912 -5.068 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -1.192 -4.968 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 0.157 -6.362 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 1.027 -4.976 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 0.330 -5.073 2.762 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.505 2.243 -0.603 1.00 0.00 N ATOM 1197 CA VAL A 256 -2.054 3.512 -1.245 1.00 0.00 C ATOM 1198 C VAL A 256 -0.531 3.573 -1.409 1.00 0.00 C ATOM 1199 O VAL A 256 0.211 2.803 -0.831 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.541 4.629 -0.338 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.194 4.309 1.117 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -1.870 5.936 -0.757 1.00 0.00 C ATOM 0 H VAL A 256 -3.279 2.341 0.054 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.460 3.595 -2.253 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.623 4.727 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.547 5.115 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.674 3.375 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.113 4.209 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.213 6.744 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.788 5.835 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.129 6.163 -1.791 1.00 0.00 H new ATOM 1212 N ALA A 257 -0.071 4.503 -2.203 1.00 0.00 N ATOM 1213 CA ALA A 257 1.387 4.651 -2.442 1.00 0.00 C ATOM 1214 C ALA A 257 1.745 6.135 -2.570 1.00 0.00 C ATOM 1215 O ALA A 257 0.923 6.957 -2.938 1.00 0.00 O ATOM 1216 CB ALA A 257 1.636 3.931 -3.766 1.00 0.00 C ATOM 0 H ALA A 257 -0.655 5.174 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 257 1.989 4.242 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.694 3.992 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.345 2.885 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.047 4.402 -4.553 1.00 0.00 H new