USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 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 Single : A 183 LYS NZ :NH3+ -131:sc= -1.06 (180deg=-5.18!) USER MOD Single : A 193 THR OG1 : rot 31:sc= -1.51 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 201 TYR OH : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 152:sc= -0.28 USER MOD Single : A 226 CYS SG : rot 31:sc= -1.48! USER MOD Single : A 229 THR OG1 : rot 180:sc=-0.00016 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 154:sc= -0.691 (180deg=-2.73!) USER MOD Single : A 242 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.38) USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot 165:sc= 0 USER MOD Single : A 245 HIS : no HE2:sc= -22.2! C(o=-22!,f=-28!) USER MOD Single : A 246 ASN : amide:sc= -3.47! C(o=-3.5!,f=-9.2!) USER MOD Single : A 250 SER OG : rot 78:sc= 0.609 USER MOD Single : A 251 LYS NZ :NH3+ -160:sc= -0.707 (180deg=-1.94!) USER MOD Single : A 252 CYS SG : rot 180:sc= 0.166 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.773 8.306 -4.735 1.00 0.00 N ATOM 2 CA LYS A 183 -0.567 7.154 -5.665 1.00 0.00 C ATOM 3 C LYS A 183 -0.919 5.887 -4.899 1.00 0.00 C ATOM 4 O LYS A 183 -0.931 5.887 -3.688 1.00 0.00 O ATOM 5 CB LYS A 183 0.910 7.214 -6.040 1.00 0.00 C ATOM 6 CG LYS A 183 1.488 5.806 -6.308 1.00 0.00 C ATOM 7 CD LYS A 183 1.904 5.736 -7.765 1.00 0.00 C ATOM 8 CE LYS A 183 3.424 5.876 -7.877 1.00 0.00 C ATOM 9 NZ LYS A 183 3.690 6.028 -9.334 1.00 0.00 N ATOM 0 HA LYS A 183 -1.181 7.177 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.035 7.834 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.471 7.691 -5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.343 5.616 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.744 5.041 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.584 4.789 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.414 6.528 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.783 6.740 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.932 5.001 -7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.445 5.372 -9.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.825 5.813 -9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.986 7.005 -9.533 1.00 0.00 H new ATOM 23 N ILE A 184 -1.208 4.807 -5.561 1.00 0.00 N ATOM 24 CA ILE A 184 -1.549 3.592 -4.790 1.00 0.00 C ATOM 25 C ILE A 184 -0.727 2.383 -5.259 1.00 0.00 C ATOM 26 O ILE A 184 0.108 2.489 -6.135 1.00 0.00 O ATOM 27 CB ILE A 184 -3.046 3.366 -5.016 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.397 3.650 -6.481 1.00 0.00 C ATOM 29 CG2 ILE A 184 -3.843 4.306 -4.110 1.00 0.00 C ATOM 30 CD1 ILE A 184 -4.703 2.939 -6.842 1.00 0.00 C ATOM 0 H ILE A 184 -1.223 4.714 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.319 3.715 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.295 2.331 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -3.500 4.724 -6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.592 3.307 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -4.910 4.147 -4.269 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.597 4.102 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.591 5.340 -4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.952 3.142 -7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.584 1.865 -6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.505 3.303 -6.200 1.00 0.00 H new ATOM 42 N PHE A 185 -0.946 1.233 -4.664 1.00 0.00 N ATOM 43 CA PHE A 185 -0.158 0.026 -5.061 1.00 0.00 C ATOM 44 C PHE A 185 -0.974 -1.258 -4.859 1.00 0.00 C ATOM 45 O PHE A 185 -1.465 -1.524 -3.789 1.00 0.00 O ATOM 46 CB PHE A 185 1.085 0.099 -4.153 1.00 0.00 C ATOM 47 CG PHE A 185 1.389 -1.217 -3.458 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.399 -2.424 -4.171 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.675 -1.217 -2.087 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.691 -3.623 -3.510 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.967 -2.417 -1.430 1.00 0.00 C ATOM 52 CZ PHE A 185 1.974 -3.620 -2.141 1.00 0.00 C ATOM 0 H PHE A 185 -1.633 1.080 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 185 0.112 0.007 -6.117 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.947 0.396 -4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.935 0.874 -3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 185 1.182 -2.429 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 185 1.670 -0.288 -1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.698 -4.553 -4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 185 2.187 -2.414 -0.373 1.00 0.00 H new ATOM 0 HZ PHE A 185 2.198 -4.547 -1.633 1.00 0.00 H new ATOM 62 N VAL A 186 -1.105 -2.064 -5.883 1.00 0.00 N ATOM 63 CA VAL A 186 -1.876 -3.333 -5.733 1.00 0.00 C ATOM 64 C VAL A 186 -0.932 -4.494 -5.407 1.00 0.00 C ATOM 65 O VAL A 186 0.090 -4.674 -6.046 1.00 0.00 O ATOM 66 CB VAL A 186 -2.572 -3.566 -7.079 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.428 -4.844 -6.998 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.477 -2.372 -7.395 1.00 0.00 C ATOM 0 H VAL A 186 -0.714 -1.899 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.598 -3.269 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.822 -3.676 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -3.924 -5.011 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -2.789 -5.696 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.178 -4.730 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.973 -2.535 -8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.227 -2.266 -6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.876 -1.464 -7.448 1.00 0.00 H new ATOM 78 N GLY A 187 -1.268 -5.282 -4.415 1.00 0.00 N ATOM 79 CA GLY A 187 -0.394 -6.432 -4.036 1.00 0.00 C ATOM 80 C GLY A 187 -1.026 -7.740 -4.504 1.00 0.00 C ATOM 81 O GLY A 187 -1.269 -8.646 -3.732 1.00 0.00 O ATOM 0 H GLY A 187 -2.112 -5.177 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.592 -6.314 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.253 -6.452 -2.955 1.00 0.00 H new ATOM 148 N THR A 193 -0.363 -6.192 -15.940 1.00 0.00 N ATOM 149 CA THR A 193 -1.327 -5.292 -15.240 1.00 0.00 C ATOM 150 C THR A 193 -2.276 -4.642 -16.263 1.00 0.00 C ATOM 151 O THR A 193 -1.829 -3.961 -17.164 1.00 0.00 O ATOM 152 CB THR A 193 -0.460 -4.234 -14.562 1.00 0.00 C ATOM 153 OG1 THR A 193 0.487 -4.870 -13.715 1.00 0.00 O ATOM 154 CG2 THR A 193 -1.351 -3.307 -13.731 1.00 0.00 C ATOM 0 HA THR A 193 -1.949 -5.826 -14.522 1.00 0.00 H new ATOM 0 HB THR A 193 0.066 -3.652 -15.318 1.00 0.00 H new ATOM 0 HG1 THR A 193 0.722 -5.746 -14.087 1.00 0.00 H new ATOM 0 HG21 THR A 193 -0.735 -2.550 -13.245 1.00 0.00 H new ATOM 0 HG22 THR A 193 -2.078 -2.821 -14.382 1.00 0.00 H new ATOM 0 HG23 THR A 193 -1.875 -3.889 -12.973 1.00 0.00 H new ATOM 162 N PRO A 194 -3.559 -4.882 -16.105 1.00 0.00 N ATOM 163 CA PRO A 194 -4.568 -4.323 -17.044 1.00 0.00 C ATOM 164 C PRO A 194 -4.636 -2.790 -16.975 1.00 0.00 C ATOM 165 O PRO A 194 -5.684 -2.231 -16.756 1.00 0.00 O ATOM 166 CB PRO A 194 -5.875 -4.944 -16.539 1.00 0.00 C ATOM 167 CG PRO A 194 -5.565 -5.834 -15.322 1.00 0.00 C ATOM 168 CD PRO A 194 -4.071 -5.722 -14.997 1.00 0.00 C ATOM 0 HA PRO A 194 -4.341 -4.548 -18.086 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.583 -4.162 -16.264 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -6.342 -5.533 -17.328 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -6.162 -5.523 -14.465 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.828 -6.870 -15.535 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -3.902 -5.258 -14.025 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -3.588 -6.699 -14.972 1.00 0.00 H new ATOM 176 N GLU A 195 -3.528 -2.119 -17.157 1.00 0.00 N ATOM 177 CA GLU A 195 -3.518 -0.616 -17.097 1.00 0.00 C ATOM 178 C GLU A 195 -4.790 -0.049 -17.678 1.00 0.00 C ATOM 179 O GLU A 195 -5.565 0.574 -16.999 1.00 0.00 O ATOM 180 CB GLU A 195 -2.392 -0.087 -18.003 1.00 0.00 C ATOM 181 CG GLU A 195 -1.433 -1.195 -18.463 1.00 0.00 C ATOM 182 CD GLU A 195 -2.133 -2.090 -19.488 1.00 0.00 C ATOM 183 OE1 GLU A 195 -3.310 -1.876 -19.727 1.00 0.00 O ATOM 184 OE2 GLU A 195 -1.480 -2.975 -20.016 1.00 0.00 O ATOM 0 H GLU A 195 -2.621 -2.546 -17.346 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.396 -0.328 -16.053 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.830 0.395 -18.877 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -1.828 0.677 -17.467 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -0.537 -0.755 -18.902 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -1.111 -1.789 -17.608 1.00 0.00 H new ATOM 191 N GLU A 196 -4.994 -0.221 -18.946 1.00 0.00 N ATOM 192 CA GLU A 196 -6.203 0.361 -19.552 1.00 0.00 C ATOM 193 C GLU A 196 -7.405 0.019 -18.679 1.00 0.00 C ATOM 194 O GLU A 196 -8.288 0.826 -18.462 1.00 0.00 O ATOM 195 CB GLU A 196 -6.323 -0.267 -20.940 1.00 0.00 C ATOM 196 CG GLU A 196 -6.412 0.839 -21.993 1.00 0.00 C ATOM 197 CD GLU A 196 -7.791 0.807 -22.655 1.00 0.00 C ATOM 198 OE1 GLU A 196 -8.764 1.056 -21.964 1.00 0.00 O ATOM 199 OE2 GLU A 196 -7.850 0.535 -23.843 1.00 0.00 O ATOM 0 H GLU A 196 -4.382 -0.734 -19.580 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.155 1.447 -19.632 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.461 -0.904 -21.138 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.207 -0.902 -20.988 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -6.242 1.811 -21.530 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -5.634 0.704 -22.744 1.00 0.00 H new ATOM 206 N LYS A 197 -7.414 -1.166 -18.141 1.00 0.00 N ATOM 207 CA LYS A 197 -8.528 -1.562 -17.237 1.00 0.00 C ATOM 208 C LYS A 197 -8.274 -0.918 -15.876 1.00 0.00 C ATOM 209 O LYS A 197 -9.183 -0.597 -15.138 1.00 0.00 O ATOM 210 CB LYS A 197 -8.462 -3.087 -17.145 1.00 0.00 C ATOM 211 CG LYS A 197 -9.789 -3.682 -17.623 1.00 0.00 C ATOM 212 CD LYS A 197 -9.539 -5.053 -18.256 1.00 0.00 C ATOM 213 CE LYS A 197 -9.355 -4.893 -19.767 1.00 0.00 C ATOM 214 NZ LYS A 197 -8.090 -5.613 -20.078 1.00 0.00 N ATOM 0 H LYS A 197 -6.699 -1.878 -18.288 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.509 -1.245 -17.590 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -7.641 -3.464 -17.755 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.263 -3.392 -16.118 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.479 -3.778 -16.785 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.258 -3.016 -18.347 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -8.652 -5.511 -17.818 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -10.377 -5.719 -18.050 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.196 -5.318 -20.314 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -9.290 -3.842 -20.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -7.895 -5.548 -21.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -7.306 -5.182 -19.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -8.184 -6.612 -19.806 1.00 0.00 H new ATOM 228 N ILE A 198 -7.025 -0.706 -15.565 1.00 0.00 N ATOM 229 CA ILE A 198 -6.660 -0.054 -14.286 1.00 0.00 C ATOM 230 C ILE A 198 -7.205 1.375 -14.309 1.00 0.00 C ATOM 231 O ILE A 198 -7.942 1.790 -13.441 1.00 0.00 O ATOM 232 CB ILE A 198 -5.113 -0.107 -14.251 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.681 -0.645 -12.894 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.495 1.288 -14.432 1.00 0.00 C ATOM 235 CD1 ILE A 198 -4.970 -2.146 -12.816 1.00 0.00 C ATOM 0 H ILE A 198 -6.234 -0.963 -16.155 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.072 -0.532 -13.397 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.773 -0.746 -15.066 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.617 -0.462 -12.742 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.212 -0.121 -12.099 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.408 1.211 -14.402 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -4.803 1.701 -15.393 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -4.835 1.943 -13.630 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -4.659 -2.526 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.038 -2.318 -12.948 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -4.419 -2.664 -13.601 1.00 0.00 H new ATOM 247 N ARG A 199 -6.868 2.111 -15.327 1.00 0.00 N ATOM 248 CA ARG A 199 -7.380 3.498 -15.455 1.00 0.00 C ATOM 249 C ARG A 199 -8.909 3.457 -15.424 1.00 0.00 C ATOM 250 O ARG A 199 -9.555 4.325 -14.874 1.00 0.00 O ATOM 251 CB ARG A 199 -6.870 3.971 -16.822 1.00 0.00 C ATOM 252 CG ARG A 199 -7.700 5.167 -17.294 1.00 0.00 C ATOM 253 CD ARG A 199 -8.753 4.696 -18.300 1.00 0.00 C ATOM 254 NE ARG A 199 -9.279 5.946 -18.919 1.00 0.00 N ATOM 255 CZ ARG A 199 -10.248 5.888 -19.792 1.00 0.00 C ATOM 256 NH1 ARG A 199 -10.647 4.733 -20.251 1.00 0.00 N ATOM 257 NH2 ARG A 199 -10.815 6.986 -20.209 1.00 0.00 N ATOM 0 H ARG A 199 -6.254 1.807 -16.083 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.052 4.163 -14.656 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -5.819 4.250 -16.752 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -6.937 3.160 -17.547 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -8.184 5.645 -16.443 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -7.052 5.914 -17.753 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -8.316 4.037 -19.050 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -9.547 4.135 -17.807 1.00 0.00 H new ATOM 0 HE ARG A 199 -8.881 6.849 -18.660 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -10.202 3.874 -19.928 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -11.404 4.689 -20.933 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -10.501 7.889 -19.853 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -11.572 6.942 -20.891 1.00 0.00 H new ATOM 271 N GLU A 200 -9.489 2.438 -16.002 1.00 0.00 N ATOM 272 CA GLU A 200 -10.975 2.319 -15.998 1.00 0.00 C ATOM 273 C GLU A 200 -11.490 2.253 -14.582 1.00 0.00 C ATOM 274 O GLU A 200 -12.486 2.865 -14.252 1.00 0.00 O ATOM 275 CB GLU A 200 -11.281 1.025 -16.752 1.00 0.00 C ATOM 276 CG GLU A 200 -11.072 1.247 -18.251 1.00 0.00 C ATOM 277 CD GLU A 200 -12.428 1.244 -18.959 1.00 0.00 C ATOM 278 OE1 GLU A 200 -12.874 0.173 -19.337 1.00 0.00 O ATOM 279 OE2 GLU A 200 -12.997 2.312 -19.111 1.00 0.00 O ATOM 0 H GLU A 200 -8.996 1.682 -16.477 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.457 3.177 -16.467 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.633 0.223 -16.398 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.308 0.713 -16.559 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -10.562 2.195 -18.422 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -10.434 0.464 -18.660 1.00 0.00 H new ATOM 286 N TYR A 201 -10.839 1.539 -13.726 1.00 0.00 N ATOM 287 CA TYR A 201 -11.354 1.497 -12.352 1.00 0.00 C ATOM 288 C TYR A 201 -10.701 2.609 -11.545 1.00 0.00 C ATOM 289 O TYR A 201 -11.325 3.593 -11.204 1.00 0.00 O ATOM 290 CB TYR A 201 -10.971 0.134 -11.787 1.00 0.00 C ATOM 291 CG TYR A 201 -12.030 -0.333 -10.816 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.335 -0.567 -11.265 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.706 -0.537 -9.470 1.00 0.00 C ATOM 294 CE1 TYR A 201 -14.317 -1.004 -10.368 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.688 -0.975 -8.572 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.993 -1.208 -9.022 1.00 0.00 C ATOM 297 OH TYR A 201 -14.961 -1.639 -8.137 1.00 0.00 O ATOM 0 H TYR A 201 -9.995 0.997 -13.912 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.434 1.638 -12.315 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.863 -0.588 -12.596 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -10.006 0.197 -11.284 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.584 -0.410 -12.304 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.699 -0.357 -9.124 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.324 -1.184 -10.715 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -12.438 -1.133 -7.533 1.00 0.00 H new ATOM 0 HH TYR A 201 -14.569 -1.731 -7.243 1.00 0.00 H new ATOM 307 N PHE A 202 -9.438 2.465 -11.253 1.00 0.00 N ATOM 308 CA PHE A 202 -8.742 3.520 -10.483 1.00 0.00 C ATOM 309 C PHE A 202 -8.940 4.858 -11.187 1.00 0.00 C ATOM 310 O PHE A 202 -9.456 5.806 -10.619 1.00 0.00 O ATOM 311 CB PHE A 202 -7.265 3.110 -10.472 1.00 0.00 C ATOM 312 CG PHE A 202 -7.123 1.719 -9.912 1.00 0.00 C ATOM 313 CD1 PHE A 202 -8.087 1.202 -9.038 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.022 0.944 -10.278 1.00 0.00 C ATOM 315 CE1 PHE A 202 -7.945 -0.096 -8.530 1.00 0.00 C ATOM 316 CE2 PHE A 202 -5.879 -0.352 -9.773 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.841 -0.874 -8.900 1.00 0.00 C ATOM 0 H PHE A 202 -8.864 1.664 -11.515 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.121 3.627 -9.467 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.861 3.147 -11.484 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.688 3.814 -9.872 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -8.939 1.803 -8.756 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -5.280 1.345 -10.952 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.686 -0.496 -7.854 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -5.026 -0.951 -10.057 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.732 -1.876 -8.512 1.00 0.00 H new ATOM 327 N GLY A 203 -8.576 4.936 -12.436 1.00 0.00 N ATOM 328 CA GLY A 203 -8.794 6.200 -13.175 1.00 0.00 C ATOM 329 C GLY A 203 -10.271 6.553 -13.027 1.00 0.00 C ATOM 330 O GLY A 203 -10.669 7.696 -13.134 1.00 0.00 O ATOM 0 H GLY A 203 -8.141 4.184 -12.970 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.165 6.995 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.529 6.083 -14.226 1.00 0.00 H new ATOM 334 N GLY A 204 -11.082 5.562 -12.753 1.00 0.00 N ATOM 335 CA GLY A 204 -12.536 5.805 -12.564 1.00 0.00 C ATOM 336 C GLY A 204 -12.738 6.590 -11.270 1.00 0.00 C ATOM 337 O GLY A 204 -13.439 7.583 -11.244 1.00 0.00 O ATOM 0 H GLY A 204 -10.792 4.589 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -12.939 6.361 -13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.074 4.858 -12.519 1.00 0.00 H new ATOM 341 N PHE A 205 -12.115 6.174 -10.195 1.00 0.00 N ATOM 342 CA PHE A 205 -12.275 6.936 -8.924 1.00 0.00 C ATOM 343 C PHE A 205 -11.987 8.405 -9.206 1.00 0.00 C ATOM 344 O PHE A 205 -12.574 9.301 -8.635 1.00 0.00 O ATOM 345 CB PHE A 205 -11.225 6.366 -7.972 1.00 0.00 C ATOM 346 CG PHE A 205 -11.662 5.007 -7.496 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.398 3.878 -8.277 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.327 4.876 -6.273 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.802 2.612 -7.835 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.730 3.613 -5.828 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.469 2.479 -6.609 1.00 0.00 C ATOM 0 H PHE A 205 -11.512 5.353 -10.144 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.277 6.855 -8.502 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.262 6.293 -8.477 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -11.089 7.034 -7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.883 3.982 -9.221 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.529 5.750 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.600 1.739 -8.438 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.242 3.512 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 205 -12.781 1.503 -6.267 1.00 0.00 H new ATOM 361 N GLY A 206 -11.078 8.638 -10.105 1.00 0.00 N ATOM 362 CA GLY A 206 -10.707 10.026 -10.481 1.00 0.00 C ATOM 363 C GLY A 206 -9.665 9.941 -11.589 1.00 0.00 C ATOM 364 O GLY A 206 -8.768 9.124 -11.531 1.00 0.00 O ATOM 0 H GLY A 206 -10.566 7.911 -10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.583 10.578 -10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -10.307 10.562 -9.620 1.00 0.00 H new ATOM 368 N GLU A 207 -9.776 10.752 -12.606 1.00 0.00 N ATOM 369 CA GLU A 207 -8.778 10.671 -13.708 1.00 0.00 C ATOM 370 C GLU A 207 -7.380 10.501 -13.127 1.00 0.00 C ATOM 371 O GLU A 207 -7.042 11.071 -12.109 1.00 0.00 O ATOM 372 CB GLU A 207 -8.881 11.985 -14.474 1.00 0.00 C ATOM 373 CG GLU A 207 -8.455 13.142 -13.569 1.00 0.00 C ATOM 374 CD GLU A 207 -9.277 14.385 -13.909 1.00 0.00 C ATOM 375 OE1 GLU A 207 -10.431 14.227 -14.274 1.00 0.00 O ATOM 376 OE2 GLU A 207 -8.740 15.474 -13.799 1.00 0.00 O ATOM 0 H GLU A 207 -10.504 11.457 -12.721 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.968 9.820 -14.362 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -8.248 11.951 -15.360 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.904 12.137 -14.819 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -8.600 12.872 -12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -7.393 13.348 -13.700 1.00 0.00 H new ATOM 383 N VAL A 208 -6.575 9.706 -13.757 1.00 0.00 N ATOM 384 CA VAL A 208 -5.209 9.471 -13.238 1.00 0.00 C ATOM 385 C VAL A 208 -4.209 10.403 -13.914 1.00 0.00 C ATOM 386 O VAL A 208 -4.355 10.763 -15.067 1.00 0.00 O ATOM 387 CB VAL A 208 -4.912 8.013 -13.608 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.397 7.778 -13.639 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.554 7.089 -12.574 1.00 0.00 C ATOM 0 H VAL A 208 -6.805 9.205 -14.615 1.00 0.00 H new ATOM 0 HA VAL A 208 -5.133 9.658 -12.167 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.323 7.801 -14.595 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.195 6.740 -13.903 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.942 8.436 -14.380 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.976 7.991 -12.657 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.345 6.051 -12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.144 7.306 -11.588 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.632 7.250 -12.562 1.00 0.00 H new ATOM 399 N GLU A 209 -3.166 10.750 -13.221 1.00 0.00 N ATOM 400 CA GLU A 209 -2.127 11.604 -13.840 1.00 0.00 C ATOM 401 C GLU A 209 -1.162 10.655 -14.528 1.00 0.00 C ATOM 402 O GLU A 209 -0.893 10.759 -15.708 1.00 0.00 O ATOM 403 CB GLU A 209 -1.454 12.338 -12.678 1.00 0.00 C ATOM 404 CG GLU A 209 -0.224 13.088 -13.191 1.00 0.00 C ATOM 405 CD GLU A 209 0.840 13.134 -12.093 1.00 0.00 C ATOM 406 OE1 GLU A 209 0.489 13.455 -10.970 1.00 0.00 O ATOM 407 OE2 GLU A 209 1.986 12.847 -12.394 1.00 0.00 O ATOM 0 H GLU A 209 -2.990 10.479 -12.254 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.501 12.327 -14.565 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -2.155 13.037 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -1.163 11.627 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 209 0.174 12.593 -14.077 1.00 0.00 H new ATOM 0 HG3 GLU A 209 -0.500 14.100 -13.488 1.00 0.00 H new ATOM 414 N SER A 210 -0.689 9.682 -13.800 1.00 0.00 N ATOM 415 CA SER A 210 0.195 8.666 -14.398 1.00 0.00 C ATOM 416 C SER A 210 0.027 7.392 -13.594 1.00 0.00 C ATOM 417 O SER A 210 -0.510 7.415 -12.508 1.00 0.00 O ATOM 418 CB SER A 210 1.618 9.211 -14.281 1.00 0.00 C ATOM 419 OG SER A 210 1.584 10.500 -13.682 1.00 0.00 O ATOM 0 H SER A 210 -0.884 9.554 -12.807 1.00 0.00 H new ATOM 0 HA SER A 210 -0.032 8.454 -15.443 1.00 0.00 H new ATOM 0 HB2 SER A 210 2.229 8.536 -13.682 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.079 9.268 -15.267 1.00 0.00 H new ATOM 0 HG SER A 210 2.426 10.662 -13.207 1.00 0.00 H new ATOM 425 N ILE A 211 0.477 6.287 -14.084 1.00 0.00 N ATOM 426 CA ILE A 211 0.323 5.052 -13.282 1.00 0.00 C ATOM 427 C ILE A 211 1.665 4.369 -13.112 1.00 0.00 C ATOM 428 O ILE A 211 2.700 4.889 -13.477 1.00 0.00 O ATOM 429 CB ILE A 211 -0.635 4.149 -14.040 1.00 0.00 C ATOM 430 CG1 ILE A 211 -0.098 3.888 -15.448 1.00 0.00 C ATOM 431 CG2 ILE A 211 -2.008 4.811 -14.125 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.538 2.498 -15.912 1.00 0.00 C ATOM 0 H ILE A 211 0.937 6.180 -14.988 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.062 5.278 -12.287 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.726 3.200 -13.512 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.469 4.647 -16.137 1.00 0.00 H new ATOM 0 HG13 ILE A 211 0.990 3.957 -15.453 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.693 4.160 -14.669 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.392 4.982 -13.119 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.921 5.764 -14.647 1.00 0.00 H new ATOM 0 HD11 ILE A 211 -0.156 2.311 -16.916 1.00 0.00 H new ATOM 0 HD12 ILE A 211 -0.146 1.745 -15.228 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.627 2.446 -15.923 1.00 0.00 H new ATOM 444 N GLU A 212 1.650 3.208 -12.548 1.00 0.00 N ATOM 445 CA GLU A 212 2.916 2.475 -12.330 1.00 0.00 C ATOM 446 C GLU A 212 2.653 0.971 -12.343 1.00 0.00 C ATOM 447 O GLU A 212 1.746 0.488 -11.705 1.00 0.00 O ATOM 448 CB GLU A 212 3.372 2.943 -10.953 1.00 0.00 C ATOM 449 CG GLU A 212 4.549 2.085 -10.486 1.00 0.00 C ATOM 450 CD GLU A 212 5.741 2.304 -11.419 1.00 0.00 C ATOM 451 OE1 GLU A 212 6.017 3.449 -11.737 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.358 1.323 -11.802 1.00 0.00 O ATOM 0 H GLU A 212 0.810 2.729 -12.225 1.00 0.00 H new ATOM 0 HA GLU A 212 3.666 2.663 -13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.666 3.992 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.550 2.869 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.821 2.347 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 212 4.266 1.032 -10.481 1.00 0.00 H new ATOM 459 N LEU A 213 3.423 0.216 -13.060 1.00 0.00 N ATOM 460 CA LEU A 213 3.168 -1.246 -13.076 1.00 0.00 C ATOM 461 C LEU A 213 4.191 -1.971 -12.229 1.00 0.00 C ATOM 462 O LEU A 213 5.161 -1.382 -11.794 1.00 0.00 O ATOM 463 CB LEU A 213 3.300 -1.677 -14.528 1.00 0.00 C ATOM 464 CG LEU A 213 2.016 -1.347 -15.302 1.00 0.00 C ATOM 465 CD1 LEU A 213 1.948 -2.205 -16.566 1.00 0.00 C ATOM 466 CD2 LEU A 213 0.787 -1.633 -14.429 1.00 0.00 C ATOM 0 H LEU A 213 4.207 0.538 -13.628 1.00 0.00 H new ATOM 0 HA LEU A 213 2.184 -1.480 -12.671 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.150 -1.172 -14.988 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.499 -2.747 -14.580 1.00 0.00 H new ATOM 0 HG LEU A 213 2.026 -0.291 -15.573 1.00 0.00 H new ATOM 0 HD11 LEU A 213 1.036 -1.971 -17.116 1.00 0.00 H new ATOM 0 HD12 LEU A 213 2.814 -1.997 -17.194 1.00 0.00 H new ATOM 0 HD13 LEU A 213 1.945 -3.260 -16.290 1.00 0.00 H new ATOM 0 HD21 LEU A 213 -0.119 -1.396 -14.987 1.00 0.00 H new ATOM 0 HD22 LEU A 213 0.776 -2.687 -14.150 1.00 0.00 H new ATOM 0 HD23 LEU A 213 0.830 -1.020 -13.529 1.00 0.00 H new ATOM 478 N PRO A 214 3.945 -3.232 -12.004 1.00 0.00 N ATOM 479 CA PRO A 214 4.870 -4.014 -11.188 1.00 0.00 C ATOM 480 C PRO A 214 6.250 -4.086 -11.849 1.00 0.00 C ATOM 481 O PRO A 214 6.558 -5.019 -12.565 1.00 0.00 O ATOM 482 CB PRO A 214 4.202 -5.391 -11.121 1.00 0.00 C ATOM 483 CG PRO A 214 2.885 -5.333 -11.915 1.00 0.00 C ATOM 484 CD PRO A 214 2.747 -3.934 -12.532 1.00 0.00 C ATOM 0 HA PRO A 214 5.046 -3.586 -10.201 1.00 0.00 H new ATOM 0 HB2 PRO A 214 4.862 -6.153 -11.536 1.00 0.00 H new ATOM 0 HB3 PRO A 214 4.008 -5.668 -10.085 1.00 0.00 H new ATOM 0 HG2 PRO A 214 2.880 -6.093 -12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.039 -5.543 -11.261 1.00 0.00 H new ATOM 0 HD2 PRO A 214 2.744 -3.969 -13.621 1.00 0.00 H new ATOM 0 HD3 PRO A 214 1.822 -3.445 -12.226 1.00 0.00 H new ATOM 662 N PHE A 225 3.284 -6.415 -7.897 1.00 0.00 N ATOM 663 CA PHE A 225 2.265 -5.388 -7.524 1.00 0.00 C ATOM 664 C PHE A 225 2.293 -4.238 -8.521 1.00 0.00 C ATOM 665 O PHE A 225 3.296 -3.966 -9.133 1.00 0.00 O ATOM 666 CB PHE A 225 2.680 -4.880 -6.144 1.00 0.00 C ATOM 667 CG PHE A 225 4.180 -4.708 -6.088 1.00 0.00 C ATOM 668 CD1 PHE A 225 4.790 -3.654 -6.777 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.959 -5.604 -5.344 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.180 -3.494 -6.722 1.00 0.00 C ATOM 671 CE2 PHE A 225 6.348 -5.443 -5.291 1.00 0.00 C ATOM 672 CZ PHE A 225 6.958 -4.389 -5.979 1.00 0.00 C ATOM 0 HA PHE A 225 1.257 -5.803 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.188 -3.930 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.357 -5.583 -5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.189 -2.964 -7.351 1.00 0.00 H new ATOM 0 HD2 PHE A 225 4.488 -6.418 -4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 225 6.651 -2.680 -7.253 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.950 -6.133 -4.718 1.00 0.00 H new ATOM 0 HZ PHE A 225 8.030 -4.266 -5.937 1.00 0.00 H new ATOM 682 N CYS A 226 1.205 -3.551 -8.685 1.00 0.00 N ATOM 683 CA CYS A 226 1.206 -2.417 -9.650 1.00 0.00 C ATOM 684 C CYS A 226 0.801 -1.117 -8.934 1.00 0.00 C ATOM 685 O CYS A 226 -0.228 -1.048 -8.293 1.00 0.00 O ATOM 686 CB CYS A 226 0.168 -2.806 -10.715 1.00 0.00 C ATOM 687 SG CYS A 226 -1.517 -2.561 -10.091 1.00 0.00 S ATOM 0 H CYS A 226 0.323 -3.719 -8.201 1.00 0.00 H new ATOM 0 HA CYS A 226 2.188 -2.240 -10.090 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.319 -2.206 -11.613 1.00 0.00 H new ATOM 0 HB3 CYS A 226 0.307 -3.849 -11.001 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.525 -1.581 -9.237 1.00 0.00 H new ATOM 693 N PHE A 227 1.580 -0.080 -9.038 1.00 0.00 N ATOM 694 CA PHE A 227 1.182 1.188 -8.366 1.00 0.00 C ATOM 695 C PHE A 227 0.494 2.096 -9.374 1.00 0.00 C ATOM 696 O PHE A 227 0.303 1.750 -10.518 1.00 0.00 O ATOM 697 CB PHE A 227 2.466 1.864 -7.871 1.00 0.00 C ATOM 698 CG PHE A 227 3.045 1.159 -6.663 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.183 -0.241 -6.629 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.475 1.929 -5.575 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.748 -0.859 -5.504 1.00 0.00 C ATOM 702 CE2 PHE A 227 4.041 1.309 -4.454 1.00 0.00 C ATOM 703 CZ PHE A 227 4.177 -0.085 -4.418 1.00 0.00 C ATOM 0 H PHE A 227 2.462 -0.052 -9.550 1.00 0.00 H new ATOM 0 HA PHE A 227 0.500 0.993 -7.539 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.204 1.874 -8.674 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.255 2.903 -7.619 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.855 -0.838 -7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.370 3.004 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.853 -1.934 -5.475 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.373 1.906 -3.617 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.613 -0.563 -3.553 1.00 0.00 H new ATOM 713 N ILE A 228 0.135 3.263 -8.957 1.00 0.00 N ATOM 714 CA ILE A 228 -0.524 4.220 -9.877 1.00 0.00 C ATOM 715 C ILE A 228 -0.471 5.598 -9.218 1.00 0.00 C ATOM 716 O ILE A 228 -0.759 5.728 -8.046 1.00 0.00 O ATOM 717 CB ILE A 228 -1.970 3.723 -10.004 1.00 0.00 C ATOM 718 CG1 ILE A 228 -2.027 2.630 -11.087 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.893 4.898 -10.367 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.364 2.668 -11.834 1.00 0.00 C ATOM 0 H ILE A 228 0.270 3.604 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 228 -0.055 4.289 -10.859 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.308 3.304 -9.056 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.208 2.769 -11.793 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.890 1.651 -10.628 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.919 4.541 -10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.840 5.657 -9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.576 5.330 -11.316 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.379 1.886 -12.593 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.179 2.505 -11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.486 3.640 -12.312 1.00 0.00 H new ATOM 732 N THR A 229 -0.109 6.634 -9.922 1.00 0.00 N ATOM 733 CA THR A 229 -0.061 7.954 -9.250 1.00 0.00 C ATOM 734 C THR A 229 -1.192 8.813 -9.762 1.00 0.00 C ATOM 735 O THR A 229 -1.504 8.828 -10.937 1.00 0.00 O ATOM 736 CB THR A 229 1.300 8.559 -9.592 1.00 0.00 C ATOM 737 OG1 THR A 229 1.579 9.621 -8.689 1.00 0.00 O ATOM 738 CG2 THR A 229 1.286 9.098 -11.021 1.00 0.00 C ATOM 0 H THR A 229 0.149 6.623 -10.909 1.00 0.00 H new ATOM 0 HA THR A 229 -0.177 7.875 -8.169 1.00 0.00 H new ATOM 0 HB THR A 229 2.068 7.790 -9.508 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.452 10.012 -8.903 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.259 9.528 -11.257 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.070 8.285 -11.714 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.518 9.866 -11.113 1.00 0.00 H new ATOM 746 N PHE A 230 -1.818 9.514 -8.887 1.00 0.00 N ATOM 747 CA PHE A 230 -2.963 10.367 -9.333 1.00 0.00 C ATOM 748 C PHE A 230 -2.563 11.838 -9.458 1.00 0.00 C ATOM 749 O PHE A 230 -1.402 12.195 -9.441 1.00 0.00 O ATOM 750 CB PHE A 230 -4.038 10.207 -8.264 1.00 0.00 C ATOM 751 CG PHE A 230 -4.797 8.927 -8.507 1.00 0.00 C ATOM 752 CD1 PHE A 230 -5.854 8.903 -9.424 1.00 0.00 C ATOM 753 CD2 PHE A 230 -4.443 7.761 -7.817 1.00 0.00 C ATOM 754 CE1 PHE A 230 -6.558 7.714 -9.651 1.00 0.00 C ATOM 755 CE2 PHE A 230 -5.146 6.572 -8.045 1.00 0.00 C ATOM 756 CZ PHE A 230 -6.204 6.549 -8.962 1.00 0.00 C ATOM 0 H PHE A 230 -1.603 9.545 -7.890 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.309 10.059 -10.320 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.583 10.191 -7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.720 11.057 -8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -6.127 9.802 -9.957 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -3.628 7.779 -7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -7.374 7.696 -10.358 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -4.872 5.672 -7.514 1.00 0.00 H new ATOM 0 HZ PHE A 230 -6.747 5.632 -9.137 1.00 0.00 H new ATOM 766 N LYS A 231 -3.539 12.692 -9.581 1.00 0.00 N ATOM 767 CA LYS A 231 -3.266 14.147 -9.697 1.00 0.00 C ATOM 768 C LYS A 231 -3.259 14.752 -8.294 1.00 0.00 C ATOM 769 O LYS A 231 -2.346 15.450 -7.904 1.00 0.00 O ATOM 770 CB LYS A 231 -4.440 14.676 -10.523 1.00 0.00 C ATOM 771 CG LYS A 231 -4.672 16.161 -10.224 1.00 0.00 C ATOM 772 CD LYS A 231 -5.308 16.838 -11.439 1.00 0.00 C ATOM 773 CE LYS A 231 -5.739 18.258 -11.063 1.00 0.00 C ATOM 774 NZ LYS A 231 -6.176 18.885 -12.342 1.00 0.00 N ATOM 0 H LYS A 231 -4.527 12.438 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 231 -2.308 14.388 -10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -4.238 14.539 -11.585 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -5.341 14.107 -10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -5.320 16.270 -9.354 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.726 16.645 -9.980 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.598 16.869 -12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -6.169 16.263 -11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.550 18.244 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -4.916 18.813 -10.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.486 19.861 -12.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.382 18.892 -13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -6.965 18.340 -12.744 1.00 0.00 H new ATOM 788 N GLU A 232 -4.275 14.461 -7.532 1.00 0.00 N ATOM 789 CA GLU A 232 -4.348 14.980 -6.142 1.00 0.00 C ATOM 790 C GLU A 232 -4.382 13.798 -5.174 1.00 0.00 C ATOM 791 O GLU A 232 -4.447 12.657 -5.582 1.00 0.00 O ATOM 792 CB GLU A 232 -5.656 15.770 -6.076 1.00 0.00 C ATOM 793 CG GLU A 232 -5.354 17.267 -6.169 1.00 0.00 C ATOM 794 CD GLU A 232 -6.434 18.053 -5.424 1.00 0.00 C ATOM 795 OE1 GLU A 232 -7.363 17.429 -4.937 1.00 0.00 O ATOM 796 OE2 GLU A 232 -6.316 19.264 -5.354 1.00 0.00 O ATOM 0 H GLU A 232 -5.064 13.881 -7.817 1.00 0.00 H new ATOM 0 HA GLU A 232 -3.495 15.604 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.316 15.470 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.179 15.551 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -4.374 17.478 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -5.319 17.577 -7.213 1.00 0.00 H new ATOM 803 N GLU A 233 -4.335 14.053 -3.900 1.00 0.00 N ATOM 804 CA GLU A 233 -4.363 12.930 -2.918 1.00 0.00 C ATOM 805 C GLU A 233 -5.789 12.358 -2.817 1.00 0.00 C ATOM 806 O GLU A 233 -6.004 11.257 -2.346 1.00 0.00 O ATOM 807 CB GLU A 233 -3.959 13.580 -1.593 1.00 0.00 C ATOM 808 CG GLU A 233 -4.890 14.758 -1.302 1.00 0.00 C ATOM 809 CD GLU A 233 -4.057 15.999 -0.972 1.00 0.00 C ATOM 810 OE1 GLU A 233 -3.645 16.676 -1.899 1.00 0.00 O ATOM 811 OE2 GLU A 233 -3.848 16.252 0.203 1.00 0.00 O ATOM 0 H GLU A 233 -4.279 14.987 -3.493 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.706 12.107 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.014 12.850 -0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -2.925 13.922 -1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.527 14.954 -2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.549 14.517 -0.468 1.00 0.00 H new ATOM 818 N GLU A 234 -6.758 13.119 -3.248 1.00 0.00 N ATOM 819 CA GLU A 234 -8.188 12.679 -3.185 1.00 0.00 C ATOM 820 C GLU A 234 -8.417 11.263 -3.756 1.00 0.00 C ATOM 821 O GLU A 234 -9.017 10.432 -3.097 1.00 0.00 O ATOM 822 CB GLU A 234 -8.944 13.711 -4.024 1.00 0.00 C ATOM 823 CG GLU A 234 -9.420 14.852 -3.123 1.00 0.00 C ATOM 824 CD GLU A 234 -9.993 15.979 -3.983 1.00 0.00 C ATOM 825 OE1 GLU A 234 -9.749 15.968 -5.178 1.00 0.00 O ATOM 826 OE2 GLU A 234 -10.663 16.836 -3.431 1.00 0.00 O ATOM 0 H GLU A 234 -6.619 14.046 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.525 12.624 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -8.297 14.100 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -9.796 13.242 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -10.178 14.489 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -8.590 15.225 -2.522 1.00 0.00 H new ATOM 833 N PRO A 235 -7.972 11.026 -4.969 1.00 0.00 N ATOM 834 CA PRO A 235 -8.185 9.705 -5.610 1.00 0.00 C ATOM 835 C PRO A 235 -7.827 8.553 -4.667 1.00 0.00 C ATOM 836 O PRO A 235 -8.552 7.583 -4.569 1.00 0.00 O ATOM 837 CB PRO A 235 -7.264 9.774 -6.832 1.00 0.00 C ATOM 838 CG PRO A 235 -6.583 11.157 -6.849 1.00 0.00 C ATOM 839 CD PRO A 235 -7.226 12.029 -5.762 1.00 0.00 C ATOM 0 HA PRO A 235 -9.224 9.511 -5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -6.515 8.983 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -7.836 9.621 -7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -5.513 11.055 -6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -6.698 11.624 -7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.480 12.551 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -7.884 12.788 -6.184 1.00 0.00 H new ATOM 847 N VAL A 236 -6.736 8.641 -3.959 1.00 0.00 N ATOM 848 CA VAL A 236 -6.394 7.530 -3.028 1.00 0.00 C ATOM 849 C VAL A 236 -7.333 7.555 -1.836 1.00 0.00 C ATOM 850 O VAL A 236 -7.669 6.538 -1.275 1.00 0.00 O ATOM 851 CB VAL A 236 -4.973 7.788 -2.565 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.623 6.784 -1.468 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.035 7.602 -3.744 1.00 0.00 C ATOM 0 H VAL A 236 -6.077 9.419 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.486 6.558 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 236 -4.877 8.802 -2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.603 6.959 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.311 6.904 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.705 5.771 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.009 7.785 -3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -4.122 6.583 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.300 8.305 -4.534 1.00 0.00 H new ATOM 863 N LYS A 237 -7.769 8.708 -1.444 1.00 0.00 N ATOM 864 CA LYS A 237 -8.696 8.766 -0.290 1.00 0.00 C ATOM 865 C LYS A 237 -9.815 7.770 -0.517 1.00 0.00 C ATOM 866 O LYS A 237 -10.201 7.021 0.362 1.00 0.00 O ATOM 867 CB LYS A 237 -9.285 10.168 -0.302 1.00 0.00 C ATOM 868 CG LYS A 237 -9.220 10.766 1.104 1.00 0.00 C ATOM 869 CD LYS A 237 -9.290 12.290 1.014 1.00 0.00 C ATOM 870 CE LYS A 237 -8.311 12.906 2.016 1.00 0.00 C ATOM 871 NZ LYS A 237 -9.147 13.789 2.874 1.00 0.00 N ATOM 0 H LYS A 237 -7.529 9.605 -1.865 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.194 8.540 0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -8.735 10.798 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.319 10.136 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -10.044 10.389 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.297 10.462 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -9.046 12.617 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -10.304 12.631 1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -7.814 12.137 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -7.530 13.472 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -8.547 14.249 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -9.602 14.515 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -9.877 13.221 3.349 1.00 0.00 H new ATOM 885 N LYS A 238 -10.348 7.767 -1.703 1.00 0.00 N ATOM 886 CA LYS A 238 -11.459 6.838 -1.998 1.00 0.00 C ATOM 887 C LYS A 238 -10.939 5.418 -2.102 1.00 0.00 C ATOM 888 O LYS A 238 -11.283 4.552 -1.323 1.00 0.00 O ATOM 889 CB LYS A 238 -12.022 7.269 -3.347 1.00 0.00 C ATOM 890 CG LYS A 238 -13.537 7.454 -3.230 1.00 0.00 C ATOM 891 CD LYS A 238 -14.005 8.502 -4.242 1.00 0.00 C ATOM 892 CE LYS A 238 -15.086 7.896 -5.141 1.00 0.00 C ATOM 893 NZ LYS A 238 -16.237 8.835 -5.043 1.00 0.00 N ATOM 0 H LYS A 238 -10.061 8.367 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.214 6.864 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.555 8.200 -3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.793 6.520 -4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -14.044 6.507 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.798 7.767 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -14.397 9.376 -3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -13.163 8.842 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -14.738 7.804 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -15.363 6.896 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -17.020 8.488 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -16.551 8.897 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -15.946 9.777 -5.374 1.00 0.00 H new ATOM 907 N ILE A 239 -10.118 5.174 -3.075 1.00 0.00 N ATOM 908 CA ILE A 239 -9.578 3.806 -3.245 1.00 0.00 C ATOM 909 C ILE A 239 -9.081 3.294 -1.888 1.00 0.00 C ATOM 910 O ILE A 239 -9.614 2.355 -1.333 1.00 0.00 O ATOM 911 CB ILE A 239 -8.436 3.944 -4.268 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.966 3.592 -5.661 1.00 0.00 C ATOM 913 CG2 ILE A 239 -7.283 2.996 -3.920 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.357 2.114 -5.698 1.00 0.00 C ATOM 0 H ILE A 239 -9.798 5.860 -3.758 1.00 0.00 H new ATOM 0 HA ILE A 239 -10.318 3.089 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 239 -8.069 4.970 -4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -9.828 4.214 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -8.205 3.797 -6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.485 3.108 -4.654 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.900 3.238 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.643 1.967 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.734 1.862 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.484 1.501 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.132 1.924 -4.956 1.00 0.00 H new ATOM 926 N MET A 240 -8.072 3.918 -1.346 1.00 0.00 N ATOM 927 CA MET A 240 -7.547 3.481 -0.019 1.00 0.00 C ATOM 928 C MET A 240 -8.699 3.137 0.933 1.00 0.00 C ATOM 929 O MET A 240 -8.633 2.179 1.676 1.00 0.00 O ATOM 930 CB MET A 240 -6.762 4.681 0.510 1.00 0.00 C ATOM 931 CG MET A 240 -5.639 4.195 1.429 1.00 0.00 C ATOM 932 SD MET A 240 -4.715 5.621 2.054 1.00 0.00 S ATOM 933 CE MET A 240 -6.143 6.605 2.575 1.00 0.00 C ATOM 0 H MET A 240 -7.587 4.712 -1.764 1.00 0.00 H new ATOM 0 HA MET A 240 -6.929 2.587 -0.100 1.00 0.00 H new ATOM 0 HB2 MET A 240 -6.345 5.250 -0.321 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.427 5.352 1.055 1.00 0.00 H new ATOM 0 HG2 MET A 240 -6.055 3.625 2.260 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.973 3.526 0.885 1.00 0.00 H new ATOM 0 HE1 MET A 240 -5.846 7.282 3.375 1.00 0.00 H new ATOM 0 HE2 MET A 240 -6.514 7.184 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 240 -6.930 5.942 2.934 1.00 0.00 H new ATOM 943 N GLU A 241 -9.756 3.909 0.918 1.00 0.00 N ATOM 944 CA GLU A 241 -10.905 3.613 1.828 1.00 0.00 C ATOM 945 C GLU A 241 -11.410 2.185 1.598 1.00 0.00 C ATOM 946 O GLU A 241 -12.123 1.627 2.409 1.00 0.00 O ATOM 947 CB GLU A 241 -11.983 4.631 1.455 1.00 0.00 C ATOM 948 CG GLU A 241 -12.773 5.016 2.708 1.00 0.00 C ATOM 949 CD GLU A 241 -12.147 6.262 3.339 1.00 0.00 C ATOM 950 OE1 GLU A 241 -11.128 6.708 2.839 1.00 0.00 O ATOM 951 OE2 GLU A 241 -12.698 6.748 4.313 1.00 0.00 O ATOM 0 H GLU A 241 -9.873 4.726 0.319 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.626 3.685 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.526 5.516 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.652 4.210 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -13.814 5.209 2.450 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -12.769 4.192 3.422 1.00 0.00 H new ATOM 958 N LYS A 242 -11.035 1.591 0.500 1.00 0.00 N ATOM 959 CA LYS A 242 -11.473 0.197 0.206 1.00 0.00 C ATOM 960 C LYS A 242 -10.273 -0.601 -0.301 1.00 0.00 C ATOM 961 O LYS A 242 -10.324 -1.225 -1.335 1.00 0.00 O ATOM 962 CB LYS A 242 -12.539 0.332 -0.883 1.00 0.00 C ATOM 963 CG LYS A 242 -13.691 -0.633 -0.594 1.00 0.00 C ATOM 964 CD LYS A 242 -14.447 -0.168 0.653 1.00 0.00 C ATOM 965 CE LYS A 242 -14.844 -1.386 1.494 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.755 -2.186 0.624 1.00 0.00 N ATOM 0 H LYS A 242 -10.440 2.014 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.868 -0.321 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -12.909 1.357 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -12.106 0.115 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -14.367 -0.674 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -13.306 -1.641 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -13.822 0.505 1.240 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -15.336 0.393 0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -13.968 -1.966 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -15.344 -1.083 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.324 -2.827 1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -16.386 -1.546 0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -15.191 -2.744 -0.049 1.00 0.00 H new ATOM 980 N LYS A 243 -9.194 -0.547 0.432 1.00 0.00 N ATOM 981 CA LYS A 243 -7.931 -1.257 0.043 1.00 0.00 C ATOM 982 C LYS A 243 -8.182 -2.475 -0.859 1.00 0.00 C ATOM 983 O LYS A 243 -7.419 -2.741 -1.762 1.00 0.00 O ATOM 984 CB LYS A 243 -7.324 -1.704 1.371 1.00 0.00 C ATOM 985 CG LYS A 243 -5.935 -2.294 1.127 1.00 0.00 C ATOM 986 CD LYS A 243 -5.446 -2.978 2.404 1.00 0.00 C ATOM 987 CE LYS A 243 -6.147 -4.328 2.560 1.00 0.00 C ATOM 988 NZ LYS A 243 -5.478 -4.977 3.722 1.00 0.00 N ATOM 0 H LYS A 243 -9.129 -0.028 1.308 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.281 -0.602 -0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.256 -0.858 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.967 -2.446 1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -5.971 -3.011 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -5.240 -1.508 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -4.366 -3.120 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -5.652 -2.347 3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -7.214 -4.200 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -6.046 -4.932 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -5.905 -5.910 3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -4.464 -5.092 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -5.597 -4.383 4.567 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.224 -3.223 -0.636 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.462 -4.411 -1.511 1.00 0.00 C ATOM 1004 C TYR A 244 -10.581 -4.071 -2.508 1.00 0.00 C ATOM 1005 O TYR A 244 -11.749 -4.245 -2.224 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.899 -5.519 -0.548 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.349 -6.857 -0.998 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -7.992 -7.139 -0.793 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.180 -7.827 -1.580 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.464 -8.377 -1.174 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.651 -9.065 -1.951 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.294 -9.341 -1.751 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.779 -10.566 -2.120 1.00 0.00 O ATOM 0 H TYR A 244 -9.913 -3.071 0.100 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.588 -4.711 -2.090 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.547 -5.294 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -10.987 -5.562 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.351 -6.398 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.227 -7.616 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.416 -8.587 -1.022 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.292 -9.813 -2.394 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.513 -11.196 -2.277 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.235 -3.559 -3.666 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.290 -3.178 -4.661 1.00 0.00 C ATOM 1025 C HIS A 245 -11.627 -4.354 -5.574 1.00 0.00 C ATOM 1026 O HIS A 245 -11.257 -5.481 -5.323 1.00 0.00 O ATOM 1027 CB HIS A 245 -10.698 -2.045 -5.517 1.00 0.00 C ATOM 1028 CG HIS A 245 -9.702 -1.237 -4.732 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -10.046 -0.556 -3.581 1.00 0.00 N ATOM 1030 CD2 HIS A 245 -8.364 -1.001 -4.922 1.00 0.00 C ATOM 1031 CE1 HIS A 245 -8.934 0.048 -3.121 1.00 0.00 C ATOM 1032 NE2 HIS A 245 -7.881 -0.191 -3.903 1.00 0.00 N ATOM 0 H HIS A 245 -9.274 -3.389 -3.964 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.201 -2.875 -4.145 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.215 -2.466 -6.399 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.499 -1.396 -5.871 1.00 0.00 H new ATOM 0 HD1 HIS A 245 -10.973 -0.518 -3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -7.775 -1.387 -5.741 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -8.899 0.653 -2.227 1.00 0.00 H new ATOM 1040 N ASN A 246 -12.320 -4.080 -6.645 1.00 0.00 N ATOM 1041 CA ASN A 246 -12.689 -5.152 -7.611 1.00 0.00 C ATOM 1042 C ASN A 246 -12.492 -4.629 -9.037 1.00 0.00 C ATOM 1043 O ASN A 246 -13.152 -3.703 -9.462 1.00 0.00 O ATOM 1044 CB ASN A 246 -14.167 -5.438 -7.344 1.00 0.00 C ATOM 1045 CG ASN A 246 -14.328 -6.026 -5.941 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -13.881 -5.445 -4.971 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.954 -7.161 -5.790 1.00 0.00 N ATOM 0 H ASN A 246 -12.650 -3.148 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 246 -12.082 -6.051 -7.500 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.748 -4.520 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -14.554 -6.134 -8.088 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -15.068 -7.560 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -15.329 -7.649 -6.604 1.00 0.00 H new ATOM 1054 N VAL A 247 -11.582 -5.201 -9.777 1.00 0.00 N ATOM 1055 CA VAL A 247 -11.347 -4.711 -11.165 1.00 0.00 C ATOM 1056 C VAL A 247 -11.351 -5.879 -12.155 1.00 0.00 C ATOM 1057 O VAL A 247 -10.611 -6.832 -12.011 1.00 0.00 O ATOM 1058 CB VAL A 247 -9.969 -4.048 -11.118 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -9.676 -3.383 -12.464 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -9.951 -2.988 -10.012 1.00 0.00 C ATOM 0 H VAL A 247 -10.994 -5.981 -9.483 1.00 0.00 H new ATOM 0 HA VAL A 247 -12.123 -4.021 -11.496 1.00 0.00 H new ATOM 0 HB VAL A 247 -9.210 -4.803 -10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -8.694 -2.911 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -9.690 -4.136 -13.252 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -10.435 -2.628 -12.670 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -8.970 -2.515 -9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -10.710 -2.234 -10.218 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -10.160 -3.460 -9.052 1.00 0.00 H new ATOM 1070 N GLY A 248 -12.181 -5.809 -13.162 1.00 0.00 N ATOM 1071 CA GLY A 248 -12.234 -6.912 -14.163 1.00 0.00 C ATOM 1072 C GLY A 248 -12.439 -8.246 -13.444 1.00 0.00 C ATOM 1073 O GLY A 248 -11.712 -9.195 -13.660 1.00 0.00 O ATOM 0 H GLY A 248 -12.824 -5.036 -13.334 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -13.047 -6.738 -14.868 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -11.310 -6.937 -14.741 1.00 0.00 H new ATOM 1077 N LEU A 249 -13.423 -8.327 -12.591 1.00 0.00 N ATOM 1078 CA LEU A 249 -13.671 -9.602 -11.860 1.00 0.00 C ATOM 1079 C LEU A 249 -12.443 -9.976 -11.024 1.00 0.00 C ATOM 1080 O LEU A 249 -12.211 -11.130 -10.723 1.00 0.00 O ATOM 1081 CB LEU A 249 -13.917 -10.643 -12.953 1.00 0.00 C ATOM 1082 CG LEU A 249 -14.555 -11.888 -12.335 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -15.950 -12.096 -12.929 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -13.684 -13.110 -12.637 1.00 0.00 C ATOM 0 H LEU A 249 -14.065 -7.566 -12.369 1.00 0.00 H new ATOM 0 HA LEU A 249 -14.513 -9.530 -11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -14.569 -10.231 -13.723 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -12.977 -10.906 -13.439 1.00 0.00 H new ATOM 0 HG LEU A 249 -14.636 -11.757 -11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -16.404 -12.983 -12.488 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -16.570 -11.226 -12.714 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -15.870 -12.227 -14.008 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -14.138 -13.998 -12.197 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -13.602 -13.241 -13.716 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -12.691 -12.962 -12.213 1.00 0.00 H new ATOM 1096 N SER A 250 -11.658 -9.004 -10.646 1.00 0.00 N ATOM 1097 CA SER A 250 -10.446 -9.297 -9.830 1.00 0.00 C ATOM 1098 C SER A 250 -10.296 -8.244 -8.732 1.00 0.00 C ATOM 1099 O SER A 250 -10.214 -7.062 -9.003 1.00 0.00 O ATOM 1100 CB SER A 250 -9.280 -9.220 -10.813 1.00 0.00 C ATOM 1101 OG SER A 250 -9.549 -10.065 -11.925 1.00 0.00 O ATOM 0 H SER A 250 -11.804 -8.019 -10.867 1.00 0.00 H new ATOM 0 HA SER A 250 -10.496 -10.269 -9.339 1.00 0.00 H new ATOM 0 HB2 SER A 250 -9.138 -8.192 -11.148 1.00 0.00 H new ATOM 0 HB3 SER A 250 -8.355 -9.526 -10.324 1.00 0.00 H new ATOM 0 HG SER A 250 -10.188 -9.624 -12.524 1.00 0.00 H new ATOM 1107 N LYS A 251 -10.267 -8.657 -7.495 1.00 0.00 N ATOM 1108 CA LYS A 251 -10.130 -7.660 -6.393 1.00 0.00 C ATOM 1109 C LYS A 251 -8.730 -7.710 -5.772 1.00 0.00 C ATOM 1110 O LYS A 251 -8.575 -7.873 -4.578 1.00 0.00 O ATOM 1111 CB LYS A 251 -11.201 -8.025 -5.355 1.00 0.00 C ATOM 1112 CG LYS A 251 -11.325 -9.543 -5.211 1.00 0.00 C ATOM 1113 CD LYS A 251 -9.947 -10.156 -4.967 1.00 0.00 C ATOM 1114 CE LYS A 251 -10.081 -11.671 -4.761 1.00 0.00 C ATOM 1115 NZ LYS A 251 -11.301 -11.854 -3.924 1.00 0.00 N ATOM 0 H LYS A 251 -10.331 -9.631 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 251 -10.265 -6.644 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -10.945 -7.584 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -12.161 -7.604 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -11.992 -9.785 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -11.767 -9.968 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -9.293 -9.951 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -9.486 -9.700 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -10.178 -12.189 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -9.200 -12.079 -4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -11.272 -12.788 -3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -11.336 -11.113 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -12.147 -11.789 -4.525 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.709 -7.545 -6.570 1.00 0.00 N ATOM 1130 CA CYS A 252 -6.322 -7.554 -6.015 1.00 0.00 C ATOM 1131 C CYS A 252 -6.282 -6.692 -4.756 1.00 0.00 C ATOM 1132 O CYS A 252 -7.209 -5.961 -4.474 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.456 -6.930 -7.112 1.00 0.00 C ATOM 1134 SG CYS A 252 -5.678 -7.847 -8.656 1.00 0.00 S ATOM 0 H CYS A 252 -7.774 -7.405 -7.578 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.979 -8.553 -5.746 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -5.730 -5.885 -7.255 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.407 -6.947 -6.815 1.00 0.00 H new ATOM 0 HG CYS A 252 -4.943 -7.314 -9.587 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.213 -6.733 -4.010 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.159 -5.857 -2.804 1.00 0.00 C ATOM 1142 C GLU A 253 -4.599 -4.524 -3.226 1.00 0.00 C ATOM 1143 O GLU A 253 -4.103 -4.380 -4.319 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.244 -6.501 -1.760 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.161 -7.353 -2.423 1.00 0.00 C ATOM 1146 CD GLU A 253 -2.077 -7.682 -1.396 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -1.354 -6.776 -1.016 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -1.988 -8.835 -1.006 1.00 0.00 O ATOM 0 H GLU A 253 -4.394 -7.318 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.151 -5.726 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -3.778 -5.725 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.836 -7.121 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -3.595 -8.272 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.727 -6.818 -3.268 1.00 0.00 H new ATOM 1155 N ILE A 254 -4.687 -3.540 -2.393 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.155 -2.214 -2.809 1.00 0.00 C ATOM 1157 C ILE A 254 -3.675 -1.380 -1.623 1.00 0.00 C ATOM 1158 O ILE A 254 -4.453 -0.748 -0.937 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.310 -1.509 -3.523 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -5.560 -2.173 -4.882 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -4.947 -0.039 -3.742 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.584 -3.302 -4.728 1.00 0.00 C ATOM 0 H ILE A 254 -5.094 -3.586 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.284 -2.340 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.210 -1.582 -2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -5.924 -1.435 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -4.626 -2.569 -5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -5.768 0.467 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -4.768 0.439 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -4.047 0.026 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.758 -3.770 -5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -6.203 -4.046 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.521 -2.894 -4.349 1.00 0.00 H new ATOM 1174 N LYS A 255 -2.391 -1.320 -1.426 1.00 0.00 N ATOM 1175 CA LYS A 255 -1.843 -0.471 -0.343 1.00 0.00 C ATOM 1176 C LYS A 255 -1.389 0.829 -1.003 1.00 0.00 C ATOM 1177 O LYS A 255 -0.550 0.826 -1.881 1.00 0.00 O ATOM 1178 CB LYS A 255 -0.663 -1.252 0.235 1.00 0.00 C ATOM 1179 CG LYS A 255 0.151 -0.345 1.159 1.00 0.00 C ATOM 1180 CD LYS A 255 1.098 -1.201 2.002 1.00 0.00 C ATOM 1181 CE LYS A 255 0.847 -0.929 3.487 1.00 0.00 C ATOM 1182 NZ LYS A 255 0.808 -2.278 4.120 1.00 0.00 N ATOM 0 H LYS A 255 -1.695 -1.827 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 255 -2.551 -0.235 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.024 -2.120 0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.032 -1.627 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 255 0.720 0.376 0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.515 0.226 1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 255 0.942 -2.257 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 255 2.134 -0.973 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 255 1.638 -0.314 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -0.090 -0.394 3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 0.639 -2.177 5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 0.041 -2.838 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 1.716 -2.761 3.965 1.00 0.00 H new ATOM 1196 N VAL A 256 -1.981 1.926 -0.641 1.00 0.00 N ATOM 1197 CA VAL A 256 -1.623 3.211 -1.300 1.00 0.00 C ATOM 1198 C VAL A 256 -0.114 3.337 -1.536 1.00 0.00 C ATOM 1199 O VAL A 256 0.682 2.575 -1.024 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.109 4.298 -0.359 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -1.679 3.982 1.074 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -1.511 5.632 -0.793 1.00 0.00 C ATOM 0 H VAL A 256 -2.697 1.992 0.082 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.083 3.282 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.197 4.351 -0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.032 4.768 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.106 3.027 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -0.592 3.926 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -1.854 6.420 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -0.423 5.572 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -1.827 5.858 -1.811 1.00 0.00 H new ATOM 1212 N ALA A 257 0.272 4.311 -2.315 1.00 0.00 N ATOM 1213 CA ALA A 257 1.712 4.521 -2.613 1.00 0.00 C ATOM 1214 C ALA A 257 2.016 6.019 -2.709 1.00 0.00 C ATOM 1215 O ALA A 257 1.135 6.829 -2.920 1.00 0.00 O ATOM 1216 CB ALA A 257 1.926 3.853 -3.970 1.00 0.00 C ATOM 0 H ALA A 257 -0.359 4.976 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 257 2.362 4.110 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.969 3.961 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.677 2.794 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.285 4.326 -4.714 1.00 0.00 H new