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 Single : A 183 LYS NZ :NH3+ -173:sc= -2.18! (180deg=-2.5!) USER MOD Single : A 193 THR OG1 : rot 25:sc= 0.439 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 36:sc= 0.356 USER MOD Single : A 226 CYS SG : rot 180:sc= -2.67! USER MOD Single : A 229 THR OG1 : rot 180:sc=-0.00547 USER MOD Single : A 231 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.009) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 244 TYR OH : rot 130:sc= -0.182 USER MOD Single : A 245 HIS :FLIP no HD1:sc= -18.5! C(o=-22!,f=-19!) USER MOD Single : A 246 ASN : amide:sc= 0 X(o=0,f=0) 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= 0.2 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 183 -0.813 8.434 -5.185 1.00 0.00 N ATOM 2 CA LYS A 183 -0.591 7.171 -5.942 1.00 0.00 C ATOM 3 C LYS A 183 -1.022 6.014 -5.056 1.00 0.00 C ATOM 4 O LYS A 183 -1.100 6.152 -3.856 1.00 0.00 O ATOM 5 CB LYS A 183 0.908 7.154 -6.222 1.00 0.00 C ATOM 6 CG LYS A 183 1.449 5.710 -6.328 1.00 0.00 C ATOM 7 CD LYS A 183 1.932 5.494 -7.751 1.00 0.00 C ATOM 8 CE LYS A 183 3.446 5.708 -7.814 1.00 0.00 C ATOM 9 NZ LYS A 183 3.934 4.768 -8.859 1.00 0.00 N ATOM 0 HA LYS A 183 -1.155 7.094 -6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 183 1.112 7.689 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.434 7.683 -5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.264 5.556 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.669 4.991 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.682 4.486 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.428 6.185 -8.426 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.687 6.740 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.913 5.501 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.974 4.774 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.596 3.807 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.573 5.064 -9.788 1.00 0.00 H new ATOM 23 N ILE A 184 -1.296 4.876 -5.617 1.00 0.00 N ATOM 24 CA ILE A 184 -1.702 3.743 -4.764 1.00 0.00 C ATOM 25 C ILE A 184 -0.884 2.499 -5.105 1.00 0.00 C ATOM 26 O ILE A 184 -0.097 2.497 -6.031 1.00 0.00 O ATOM 27 CB ILE A 184 -3.181 3.505 -5.065 1.00 0.00 C ATOM 28 CG1 ILE A 184 -3.405 3.559 -6.578 1.00 0.00 C ATOM 29 CG2 ILE A 184 -4.025 4.583 -4.386 1.00 0.00 C ATOM 30 CD1 ILE A 184 -4.737 2.892 -6.923 1.00 0.00 C ATOM 0 H ILE A 184 -1.256 4.686 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 184 -1.536 3.957 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 184 -3.475 2.526 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -3.406 4.594 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -2.589 3.054 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -5.079 4.410 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -3.865 4.545 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -3.733 5.564 -4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -4.895 2.931 -8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.719 1.852 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -5.548 3.416 -6.418 1.00 0.00 H new ATOM 42 N PHE A 185 -1.064 1.438 -4.370 1.00 0.00 N ATOM 43 CA PHE A 185 -0.295 0.199 -4.666 1.00 0.00 C ATOM 44 C PHE A 185 -1.207 -1.026 -4.566 1.00 0.00 C ATOM 45 O PHE A 185 -1.987 -1.165 -3.649 1.00 0.00 O ATOM 46 CB PHE A 185 0.842 0.184 -3.628 1.00 0.00 C ATOM 47 CG PHE A 185 1.010 -1.185 -2.994 1.00 0.00 C ATOM 48 CD1 PHE A 185 1.128 -2.325 -3.798 1.00 0.00 C ATOM 49 CD2 PHE A 185 1.051 -1.305 -1.600 1.00 0.00 C ATOM 50 CE1 PHE A 185 1.283 -3.584 -3.205 1.00 0.00 C ATOM 51 CE2 PHE A 185 1.207 -2.564 -1.009 1.00 0.00 C ATOM 52 CZ PHE A 185 1.323 -3.704 -1.812 1.00 0.00 C ATOM 0 H PHE A 185 -1.707 1.375 -3.581 1.00 0.00 H new ATOM 0 HA PHE A 185 0.109 0.175 -5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 185 1.775 0.479 -4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 185 0.635 0.921 -2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 185 1.100 -2.234 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 185 0.962 -0.425 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 185 1.372 -4.464 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 185 1.238 -2.656 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 185 1.443 -4.676 -1.357 1.00 0.00 H new ATOM 62 N VAL A 186 -1.106 -1.914 -5.513 1.00 0.00 N ATOM 63 CA VAL A 186 -1.956 -3.133 -5.487 1.00 0.00 C ATOM 64 C VAL A 186 -1.090 -4.366 -5.226 1.00 0.00 C ATOM 65 O VAL A 186 -0.100 -4.592 -5.899 1.00 0.00 O ATOM 66 CB VAL A 186 -2.568 -3.212 -6.883 1.00 0.00 C ATOM 67 CG1 VAL A 186 -3.513 -4.412 -6.965 1.00 0.00 C ATOM 68 CG2 VAL A 186 -3.351 -1.930 -7.182 1.00 0.00 C ATOM 0 H VAL A 186 -0.469 -1.847 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 186 -2.714 -3.094 -4.704 1.00 0.00 H new ATOM 0 HB VAL A 186 -1.768 -3.327 -7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 186 -3.948 -4.465 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 186 -2.957 -5.327 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 186 -4.308 -4.300 -6.228 1.00 0.00 H new ATOM 0 HG21 VAL A 186 -3.785 -1.993 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 186 -4.147 -1.810 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 186 -2.679 -1.073 -7.132 1.00 0.00 H new ATOM 78 N GLY A 187 -1.451 -5.169 -4.261 1.00 0.00 N ATOM 79 CA GLY A 187 -0.642 -6.385 -3.975 1.00 0.00 C ATOM 80 C GLY A 187 -1.310 -7.594 -4.610 1.00 0.00 C ATOM 81 O GLY A 187 -1.426 -8.649 -4.022 1.00 0.00 O ATOM 0 H GLY A 187 -2.266 -5.035 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 187 0.368 -6.265 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -0.550 -6.530 -2.899 1.00 0.00 H new ATOM 148 N THR A 193 -1.412 -6.129 -15.495 1.00 0.00 N ATOM 149 CA THR A 193 -2.105 -4.882 -15.046 1.00 0.00 C ATOM 150 C THR A 193 -2.555 -4.063 -16.267 1.00 0.00 C ATOM 151 O THR A 193 -1.771 -3.339 -16.846 1.00 0.00 O ATOM 152 CB THR A 193 -1.052 -4.120 -14.237 1.00 0.00 C ATOM 153 OG1 THR A 193 -0.454 -5.001 -13.293 1.00 0.00 O ATOM 154 CG2 THR A 193 -1.716 -2.956 -13.499 1.00 0.00 C ATOM 0 HA THR A 193 -2.999 -5.087 -14.457 1.00 0.00 H new ATOM 0 HB THR A 193 -0.287 -3.732 -14.910 1.00 0.00 H new ATOM 0 HG1 THR A 193 -0.528 -5.924 -13.614 1.00 0.00 H new ATOM 0 HG21 THR A 193 -0.965 -2.414 -12.923 1.00 0.00 H new ATOM 0 HG22 THR A 193 -2.175 -2.282 -14.222 1.00 0.00 H new ATOM 0 HG23 THR A 193 -2.481 -3.341 -12.825 1.00 0.00 H new ATOM 162 N PRO A 194 -3.805 -4.227 -16.635 1.00 0.00 N ATOM 163 CA PRO A 194 -4.360 -3.520 -17.819 1.00 0.00 C ATOM 164 C PRO A 194 -4.522 -2.013 -17.568 1.00 0.00 C ATOM 165 O PRO A 194 -5.601 -1.547 -17.287 1.00 0.00 O ATOM 166 CB PRO A 194 -5.732 -4.181 -17.983 1.00 0.00 C ATOM 167 CG PRO A 194 -5.914 -5.233 -16.871 1.00 0.00 C ATOM 168 CD PRO A 194 -4.731 -5.126 -15.902 1.00 0.00 C ATOM 0 HA PRO A 194 -3.715 -3.596 -18.695 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -6.521 -3.431 -17.926 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -5.809 -4.651 -18.963 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -6.853 -5.067 -16.343 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -5.963 -6.234 -17.300 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -5.029 -4.707 -14.941 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -4.281 -6.098 -15.701 1.00 0.00 H new ATOM 176 N GLU A 195 -3.461 -1.259 -17.675 1.00 0.00 N ATOM 177 CA GLU A 195 -3.545 0.224 -17.447 1.00 0.00 C ATOM 178 C GLU A 195 -4.844 0.782 -17.980 1.00 0.00 C ATOM 179 O GLU A 195 -5.617 1.358 -17.262 1.00 0.00 O ATOM 180 CB GLU A 195 -2.440 0.913 -18.267 1.00 0.00 C ATOM 181 CG GLU A 195 -1.478 -0.093 -18.909 1.00 0.00 C ATOM 182 CD GLU A 195 -0.384 0.659 -19.670 1.00 0.00 C ATOM 183 OE1 GLU A 195 -0.704 1.269 -20.677 1.00 0.00 O ATOM 184 OE2 GLU A 195 0.754 0.612 -19.234 1.00 0.00 O ATOM 0 H GLU A 195 -2.531 -1.604 -17.912 1.00 0.00 H new ATOM 0 HA GLU A 195 -3.456 0.399 -16.375 1.00 0.00 H new ATOM 0 HB2 GLU A 195 -2.896 1.524 -19.046 1.00 0.00 H new ATOM 0 HB3 GLU A 195 -1.878 1.588 -17.621 1.00 0.00 H new ATOM 0 HG2 GLU A 195 -1.032 -0.726 -18.142 1.00 0.00 H new ATOM 0 HG3 GLU A 195 -2.022 -0.750 -19.588 1.00 0.00 H new ATOM 191 N GLU A 196 -5.070 0.668 -19.248 1.00 0.00 N ATOM 192 CA GLU A 196 -6.300 1.260 -19.797 1.00 0.00 C ATOM 193 C GLU A 196 -7.483 0.824 -18.946 1.00 0.00 C ATOM 194 O GLU A 196 -8.318 1.616 -18.555 1.00 0.00 O ATOM 195 CB GLU A 196 -6.417 0.736 -21.229 1.00 0.00 C ATOM 196 CG GLU A 196 -6.289 1.903 -22.211 1.00 0.00 C ATOM 197 CD GLU A 196 -6.344 1.374 -23.645 1.00 0.00 C ATOM 198 OE1 GLU A 196 -5.314 0.943 -24.138 1.00 0.00 O ATOM 199 OE2 GLU A 196 -7.417 1.407 -24.227 1.00 0.00 O ATOM 0 H GLU A 196 -4.464 0.196 -19.919 1.00 0.00 H new ATOM 0 HA GLU A 196 -6.281 2.350 -19.793 1.00 0.00 H new ATOM 0 HB2 GLU A 196 -5.639 -0.003 -21.422 1.00 0.00 H new ATOM 0 HB3 GLU A 196 -7.375 0.234 -21.367 1.00 0.00 H new ATOM 0 HG2 GLU A 196 -7.093 2.620 -22.046 1.00 0.00 H new ATOM 0 HG3 GLU A 196 -5.351 2.432 -22.043 1.00 0.00 H new ATOM 206 N LYS A 197 -7.535 -0.434 -18.624 1.00 0.00 N ATOM 207 CA LYS A 197 -8.641 -0.929 -17.761 1.00 0.00 C ATOM 208 C LYS A 197 -8.368 -0.472 -16.331 1.00 0.00 C ATOM 209 O LYS A 197 -9.268 -0.280 -15.537 1.00 0.00 O ATOM 210 CB LYS A 197 -8.601 -2.453 -17.868 1.00 0.00 C ATOM 211 CG LYS A 197 -10.030 -2.999 -17.882 1.00 0.00 C ATOM 212 CD LYS A 197 -10.025 -4.424 -18.435 1.00 0.00 C ATOM 213 CE LYS A 197 -10.968 -5.296 -17.603 1.00 0.00 C ATOM 214 NZ LYS A 197 -11.725 -6.104 -18.600 1.00 0.00 N ATOM 0 H LYS A 197 -6.862 -1.141 -18.919 1.00 0.00 H new ATOM 0 HA LYS A 197 -9.620 -0.552 -18.057 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -8.077 -2.751 -18.776 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -8.048 -2.873 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -10.444 -2.990 -16.874 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -10.668 -2.362 -18.494 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -10.340 -4.422 -19.479 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -9.015 -4.833 -18.408 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -10.412 -5.935 -16.917 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -11.639 -4.686 -16.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -12.394 -6.728 -18.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -12.249 -5.469 -19.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -11.061 -6.679 -19.157 1.00 0.00 H new ATOM 228 N ILE A 198 -7.120 -0.267 -16.015 1.00 0.00 N ATOM 229 CA ILE A 198 -6.761 0.213 -14.661 1.00 0.00 C ATOM 230 C ILE A 198 -7.354 1.610 -14.495 1.00 0.00 C ATOM 231 O ILE A 198 -8.040 1.906 -13.541 1.00 0.00 O ATOM 232 CB ILE A 198 -5.215 0.218 -14.639 1.00 0.00 C ATOM 233 CG1 ILE A 198 -4.746 -0.532 -13.402 1.00 0.00 C ATOM 234 CG2 ILE A 198 -4.665 1.648 -14.559 1.00 0.00 C ATOM 235 CD1 ILE A 198 -5.357 -1.934 -13.386 1.00 0.00 C ATOM 0 H ILE A 198 -6.331 -0.414 -16.644 1.00 0.00 H new ATOM 0 HA ILE A 198 -7.142 -0.400 -13.844 1.00 0.00 H new ATOM 0 HB ILE A 198 -4.857 -0.251 -15.555 1.00 0.00 H new ATOM 0 HG12 ILE A 198 -3.658 -0.599 -13.396 1.00 0.00 H new ATOM 0 HG13 ILE A 198 -5.037 0.012 -12.503 1.00 0.00 H new ATOM 0 HG21 ILE A 198 -3.575 1.619 -14.545 1.00 0.00 H new ATOM 0 HG22 ILE A 198 -5.002 2.216 -15.426 1.00 0.00 H new ATOM 0 HG23 ILE A 198 -5.027 2.127 -13.649 1.00 0.00 H new ATOM 0 HD11 ILE A 198 -5.019 -2.468 -12.498 1.00 0.00 H new ATOM 0 HD12 ILE A 198 -6.444 -1.857 -13.371 1.00 0.00 H new ATOM 0 HD13 ILE A 198 -5.044 -2.477 -14.278 1.00 0.00 H new ATOM 247 N ARG A 199 -7.107 2.455 -15.450 1.00 0.00 N ATOM 248 CA ARG A 199 -7.660 3.825 -15.406 1.00 0.00 C ATOM 249 C ARG A 199 -9.183 3.729 -15.296 1.00 0.00 C ATOM 250 O ARG A 199 -9.823 4.522 -14.636 1.00 0.00 O ATOM 251 CB ARG A 199 -7.235 4.458 -16.741 1.00 0.00 C ATOM 252 CG ARG A 199 -8.194 5.593 -17.108 1.00 0.00 C ATOM 253 CD ARG A 199 -7.632 6.373 -18.299 1.00 0.00 C ATOM 254 NE ARG A 199 -8.475 5.964 -19.456 1.00 0.00 N ATOM 255 CZ ARG A 199 -9.286 6.825 -20.007 1.00 0.00 C ATOM 256 NH1 ARG A 199 -8.810 7.783 -20.754 1.00 0.00 N ATOM 257 NH2 ARG A 199 -10.572 6.726 -19.810 1.00 0.00 N ATOM 0 H ARG A 199 -6.537 2.249 -16.270 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.307 4.416 -14.561 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -6.217 4.841 -16.664 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -7.233 3.703 -17.527 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -9.175 5.188 -17.356 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -8.330 6.259 -16.255 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -7.689 7.448 -18.129 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -6.583 6.132 -18.470 1.00 0.00 H new ATOM 0 HE ARG A 199 -8.419 5.012 -19.818 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -7.804 7.859 -20.907 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -9.444 8.456 -21.185 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -10.942 5.976 -19.226 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -11.207 7.398 -20.240 1.00 0.00 H new ATOM 271 N GLU A 200 -9.766 2.746 -15.930 1.00 0.00 N ATOM 272 CA GLU A 200 -11.244 2.583 -15.848 1.00 0.00 C ATOM 273 C GLU A 200 -11.655 2.387 -14.411 1.00 0.00 C ATOM 274 O GLU A 200 -12.660 2.909 -13.972 1.00 0.00 O ATOM 275 CB GLU A 200 -11.573 1.350 -16.691 1.00 0.00 C ATOM 276 CG GLU A 200 -11.871 1.781 -18.129 1.00 0.00 C ATOM 277 CD GLU A 200 -13.182 1.143 -18.593 1.00 0.00 C ATOM 278 OE1 GLU A 200 -13.200 -0.063 -18.774 1.00 0.00 O ATOM 279 OE2 GLU A 200 -14.145 1.872 -18.761 1.00 0.00 O ATOM 0 H GLU A 200 -9.283 2.051 -16.499 1.00 0.00 H new ATOM 0 HA GLU A 200 -11.779 3.459 -16.216 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -10.736 0.651 -16.675 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -12.432 0.828 -16.271 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -11.943 2.867 -18.187 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -11.055 1.480 -18.786 1.00 0.00 H new ATOM 286 N TYR A 201 -10.899 1.664 -13.655 1.00 0.00 N ATOM 287 CA TYR A 201 -11.304 1.500 -12.253 1.00 0.00 C ATOM 288 C TYR A 201 -10.657 2.586 -11.407 1.00 0.00 C ATOM 289 O TYR A 201 -11.312 3.491 -10.930 1.00 0.00 O ATOM 290 CB TYR A 201 -10.811 0.127 -11.815 1.00 0.00 C ATOM 291 CG TYR A 201 -11.747 -0.437 -10.774 1.00 0.00 C ATOM 292 CD1 TYR A 201 -13.121 -0.514 -11.034 1.00 0.00 C ATOM 293 CD2 TYR A 201 -11.240 -0.878 -9.548 1.00 0.00 C ATOM 294 CE1 TYR A 201 -13.987 -1.033 -10.065 1.00 0.00 C ATOM 295 CE2 TYR A 201 -12.105 -1.397 -8.579 1.00 0.00 C ATOM 296 CZ TYR A 201 -13.480 -1.475 -8.837 1.00 0.00 C ATOM 297 OH TYR A 201 -14.334 -1.985 -7.881 1.00 0.00 O ATOM 0 H TYR A 201 -10.041 1.191 -13.938 1.00 0.00 H new ATOM 0 HA TYR A 201 -12.385 1.580 -12.136 1.00 0.00 H new ATOM 0 HB2 TYR A 201 -10.759 -0.543 -12.673 1.00 0.00 H new ATOM 0 HB3 TYR A 201 -9.802 0.204 -11.409 1.00 0.00 H new ATOM 0 HD1 TYR A 201 -13.512 -0.173 -11.981 1.00 0.00 H new ATOM 0 HD2 TYR A 201 -10.180 -0.818 -9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 201 -15.047 -1.093 -10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 201 -11.713 -1.738 -7.632 1.00 0.00 H new ATOM 0 HH TYR A 201 -13.820 -2.246 -7.089 1.00 0.00 H new ATOM 307 N PHE A 202 -9.370 2.501 -11.222 1.00 0.00 N ATOM 308 CA PHE A 202 -8.674 3.524 -10.409 1.00 0.00 C ATOM 309 C PHE A 202 -8.910 4.901 -11.016 1.00 0.00 C ATOM 310 O PHE A 202 -9.358 5.816 -10.352 1.00 0.00 O ATOM 311 CB PHE A 202 -7.191 3.143 -10.461 1.00 0.00 C ATOM 312 CG PHE A 202 -6.965 1.873 -9.681 1.00 0.00 C ATOM 313 CD1 PHE A 202 -7.299 1.811 -8.324 1.00 0.00 C ATOM 314 CD2 PHE A 202 -6.420 0.756 -10.321 1.00 0.00 C ATOM 315 CE1 PHE A 202 -7.085 0.628 -7.605 1.00 0.00 C ATOM 316 CE2 PHE A 202 -6.205 -0.428 -9.603 1.00 0.00 C ATOM 317 CZ PHE A 202 -6.538 -0.491 -8.245 1.00 0.00 C ATOM 0 H PHE A 202 -8.773 1.765 -11.601 1.00 0.00 H new ATOM 0 HA PHE A 202 -9.033 3.561 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -6.877 3.006 -11.496 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -6.584 3.948 -10.047 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -7.721 2.674 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -6.165 0.806 -11.369 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -7.342 0.579 -6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -5.783 -1.291 -10.097 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.373 -1.403 -7.691 1.00 0.00 H new ATOM 327 N GLY A 203 -8.648 5.052 -12.282 1.00 0.00 N ATOM 328 CA GLY A 203 -8.901 6.363 -12.924 1.00 0.00 C ATOM 329 C GLY A 203 -10.362 6.720 -12.672 1.00 0.00 C ATOM 330 O GLY A 203 -10.753 7.869 -12.708 1.00 0.00 O ATOM 0 H GLY A 203 -8.272 4.328 -12.894 1.00 0.00 H new ATOM 0 HA2 GLY A 203 -8.242 7.127 -12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 203 -8.697 6.312 -13.994 1.00 0.00 H new ATOM 334 N GLY A 204 -11.167 5.727 -12.393 1.00 0.00 N ATOM 335 CA GLY A 204 -12.601 5.983 -12.111 1.00 0.00 C ATOM 336 C GLY A 204 -12.714 6.726 -10.784 1.00 0.00 C ATOM 337 O GLY A 204 -13.429 7.701 -10.670 1.00 0.00 O ATOM 0 H GLY A 204 -10.886 4.747 -12.350 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -13.044 6.573 -12.913 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -13.151 5.043 -12.066 1.00 0.00 H new ATOM 341 N PHE A 205 -12.003 6.287 -9.776 1.00 0.00 N ATOM 342 CA PHE A 205 -12.078 7.001 -8.469 1.00 0.00 C ATOM 343 C PHE A 205 -11.636 8.450 -8.662 1.00 0.00 C ATOM 344 O PHE A 205 -12.135 9.361 -8.032 1.00 0.00 O ATOM 345 CB PHE A 205 -11.106 6.265 -7.554 1.00 0.00 C ATOM 346 CG PHE A 205 -11.646 4.893 -7.248 1.00 0.00 C ATOM 347 CD1 PHE A 205 -11.362 3.825 -8.104 1.00 0.00 C ATOM 348 CD2 PHE A 205 -12.427 4.688 -6.107 1.00 0.00 C ATOM 349 CE1 PHE A 205 -11.860 2.548 -7.818 1.00 0.00 C ATOM 350 CE2 PHE A 205 -12.925 3.415 -5.819 1.00 0.00 C ATOM 351 CZ PHE A 205 -12.642 2.342 -6.675 1.00 0.00 C ATOM 0 H PHE A 205 -11.383 5.477 -9.801 1.00 0.00 H new ATOM 0 HA PHE A 205 -13.086 7.014 -8.054 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -10.130 6.185 -8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -10.964 6.826 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -10.759 3.985 -8.985 1.00 0.00 H new ATOM 0 HD2 PHE A 205 -12.646 5.515 -5.447 1.00 0.00 H new ATOM 0 HE1 PHE A 205 -11.641 1.722 -8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 205 -13.528 3.258 -4.937 1.00 0.00 H new ATOM 0 HZ PHE A 205 -13.027 1.357 -6.453 1.00 0.00 H new ATOM 361 N GLY A 206 -10.699 8.660 -9.542 1.00 0.00 N ATOM 362 CA GLY A 206 -10.200 10.036 -9.812 1.00 0.00 C ATOM 363 C GLY A 206 -9.257 9.974 -11.009 1.00 0.00 C ATOM 364 O GLY A 206 -8.424 9.094 -11.099 1.00 0.00 O ATOM 0 H GLY A 206 -10.252 7.927 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.032 10.709 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -9.680 10.430 -8.939 1.00 0.00 H new ATOM 368 N GLU A 207 -9.383 10.884 -11.938 1.00 0.00 N ATOM 369 CA GLU A 207 -8.488 10.847 -13.129 1.00 0.00 C ATOM 370 C GLU A 207 -7.063 10.510 -12.700 1.00 0.00 C ATOM 371 O GLU A 207 -6.596 10.937 -11.662 1.00 0.00 O ATOM 372 CB GLU A 207 -8.542 12.244 -13.738 1.00 0.00 C ATOM 373 CG GLU A 207 -8.275 13.288 -12.652 1.00 0.00 C ATOM 374 CD GLU A 207 -7.983 14.641 -13.305 1.00 0.00 C ATOM 375 OE1 GLU A 207 -8.547 14.905 -14.354 1.00 0.00 O ATOM 376 OE2 GLU A 207 -7.200 15.390 -12.744 1.00 0.00 O ATOM 0 H GLU A 207 -10.062 11.645 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 207 -8.802 10.089 -13.846 1.00 0.00 H new ATOM 0 HB2 GLU A 207 -7.802 12.334 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 207 -9.518 12.417 -14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 207 -9.138 13.370 -11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 207 -7.430 12.980 -12.036 1.00 0.00 H new ATOM 383 N VAL A 208 -6.379 9.733 -13.483 1.00 0.00 N ATOM 384 CA VAL A 208 -4.995 9.347 -13.126 1.00 0.00 C ATOM 385 C VAL A 208 -3.990 10.124 -13.966 1.00 0.00 C ATOM 386 O VAL A 208 -4.212 10.387 -15.132 1.00 0.00 O ATOM 387 CB VAL A 208 -4.919 7.858 -13.467 1.00 0.00 C ATOM 388 CG1 VAL A 208 -3.453 7.425 -13.601 1.00 0.00 C ATOM 389 CG2 VAL A 208 -5.596 7.049 -12.361 1.00 0.00 C ATOM 0 H VAL A 208 -6.723 9.346 -14.362 1.00 0.00 H new ATOM 0 HA VAL A 208 -4.763 9.555 -12.081 1.00 0.00 H new ATOM 0 HB VAL A 208 -5.429 7.679 -14.414 1.00 0.00 H new ATOM 0 HG11 VAL A 208 -3.408 6.363 -13.844 1.00 0.00 H new ATOM 0 HG12 VAL A 208 -2.975 7.999 -14.395 1.00 0.00 H new ATOM 0 HG13 VAL A 208 -2.933 7.604 -12.660 1.00 0.00 H new ATOM 0 HG21 VAL A 208 -5.543 5.987 -12.602 1.00 0.00 H new ATOM 0 HG22 VAL A 208 -5.088 7.232 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL A 208 -6.640 7.350 -12.277 1.00 0.00 H new ATOM 399 N GLU A 209 -2.866 10.445 -13.404 1.00 0.00 N ATOM 400 CA GLU A 209 -1.835 11.145 -14.200 1.00 0.00 C ATOM 401 C GLU A 209 -1.006 10.059 -14.865 1.00 0.00 C ATOM 402 O GLU A 209 -0.811 10.051 -16.065 1.00 0.00 O ATOM 403 CB GLU A 209 -1.003 11.950 -13.199 1.00 0.00 C ATOM 404 CG GLU A 209 -0.363 13.146 -13.909 1.00 0.00 C ATOM 405 CD GLU A 209 0.942 12.710 -14.580 1.00 0.00 C ATOM 406 OE1 GLU A 209 0.923 11.706 -15.272 1.00 0.00 O ATOM 407 OE2 GLU A 209 1.937 13.389 -14.390 1.00 0.00 O ATOM 0 H GLU A 209 -2.618 10.254 -12.433 1.00 0.00 H new ATOM 0 HA GLU A 209 -2.231 11.815 -14.963 1.00 0.00 H new ATOM 0 HB2 GLU A 209 -1.634 12.295 -12.380 1.00 0.00 H new ATOM 0 HB3 GLU A 209 -0.230 11.318 -12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 209 -1.049 13.549 -14.654 1.00 0.00 H new ATOM 0 HG3 GLU A 209 -0.166 13.944 -13.193 1.00 0.00 H new ATOM 414 N SER A 210 -0.566 9.101 -14.095 1.00 0.00 N ATOM 415 CA SER A 210 0.188 7.974 -14.676 1.00 0.00 C ATOM 416 C SER A 210 0.006 6.762 -13.777 1.00 0.00 C ATOM 417 O SER A 210 -0.574 6.857 -12.716 1.00 0.00 O ATOM 418 CB SER A 210 1.647 8.425 -14.715 1.00 0.00 C ATOM 419 OG SER A 210 1.938 8.960 -16.000 1.00 0.00 O ATOM 0 H SER A 210 -0.701 9.058 -13.085 1.00 0.00 H new ATOM 0 HA SER A 210 -0.150 7.701 -15.676 1.00 0.00 H new ATOM 0 HB2 SER A 210 1.828 9.176 -13.946 1.00 0.00 H new ATOM 0 HB3 SER A 210 2.306 7.584 -14.501 1.00 0.00 H new ATOM 0 HG SER A 210 1.151 9.433 -16.343 1.00 0.00 H new ATOM 425 N ILE A 211 0.498 5.629 -14.167 1.00 0.00 N ATOM 426 CA ILE A 211 0.346 4.445 -13.289 1.00 0.00 C ATOM 427 C ILE A 211 1.697 3.793 -13.054 1.00 0.00 C ATOM 428 O ILE A 211 2.730 4.312 -13.427 1.00 0.00 O ATOM 429 CB ILE A 211 -0.571 3.480 -14.023 1.00 0.00 C ATOM 430 CG1 ILE A 211 0.052 3.091 -15.365 1.00 0.00 C ATOM 431 CG2 ILE A 211 -1.924 4.140 -14.254 1.00 0.00 C ATOM 432 CD1 ILE A 211 -0.331 1.650 -15.705 1.00 0.00 C ATOM 0 H ILE A 211 0.993 5.470 -15.044 1.00 0.00 H new ATOM 0 HA ILE A 211 -0.064 4.725 -12.319 1.00 0.00 H new ATOM 0 HB ILE A 211 -0.706 2.582 -13.420 1.00 0.00 H new ATOM 0 HG12 ILE A 211 -0.294 3.765 -16.148 1.00 0.00 H new ATOM 0 HG13 ILE A 211 1.137 3.189 -15.317 1.00 0.00 H new ATOM 0 HG21 ILE A 211 -2.581 3.448 -14.780 1.00 0.00 H new ATOM 0 HG22 ILE A 211 -2.369 4.404 -13.294 1.00 0.00 H new ATOM 0 HG23 ILE A 211 -1.792 5.041 -14.853 1.00 0.00 H new ATOM 0 HD11 ILE A 211 0.112 1.372 -16.661 1.00 0.00 H new ATOM 0 HD12 ILE A 211 0.037 0.982 -14.926 1.00 0.00 H new ATOM 0 HD13 ILE A 211 -1.416 1.568 -15.770 1.00 0.00 H new ATOM 444 N GLU A 212 1.691 2.654 -12.443 1.00 0.00 N ATOM 445 CA GLU A 212 2.970 1.946 -12.180 1.00 0.00 C ATOM 446 C GLU A 212 2.733 0.441 -12.147 1.00 0.00 C ATOM 447 O GLU A 212 1.867 -0.043 -11.451 1.00 0.00 O ATOM 448 CB GLU A 212 3.419 2.441 -10.812 1.00 0.00 C ATOM 449 CG GLU A 212 4.558 1.544 -10.315 1.00 0.00 C ATOM 450 CD GLU A 212 5.609 2.390 -9.595 1.00 0.00 C ATOM 451 OE1 GLU A 212 5.738 3.554 -9.934 1.00 0.00 O ATOM 452 OE2 GLU A 212 6.273 1.857 -8.721 1.00 0.00 O ATOM 0 H GLU A 212 0.854 2.176 -12.111 1.00 0.00 H new ATOM 0 HA GLU A 212 3.717 2.138 -12.950 1.00 0.00 H new ATOM 0 HB2 GLU A 212 3.754 3.476 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 212 2.586 2.418 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 212 4.166 0.783 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 212 5.013 1.020 -11.155 1.00 0.00 H new ATOM 459 N LEU A 213 3.485 -0.314 -12.884 1.00 0.00 N ATOM 460 CA LEU A 213 3.257 -1.780 -12.858 1.00 0.00 C ATOM 461 C LEU A 213 4.332 -2.482 -12.057 1.00 0.00 C ATOM 462 O LEU A 213 5.297 -1.873 -11.639 1.00 0.00 O ATOM 463 CB LEU A 213 3.285 -2.233 -14.306 1.00 0.00 C ATOM 464 CG LEU A 213 2.052 -1.686 -15.036 1.00 0.00 C ATOM 465 CD1 LEU A 213 0.819 -1.803 -14.129 1.00 0.00 C ATOM 466 CD2 LEU A 213 2.281 -0.215 -15.386 1.00 0.00 C ATOM 0 H LEU A 213 4.236 0.010 -13.494 1.00 0.00 H new ATOM 0 HA LEU A 213 2.307 -2.023 -12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 213 4.195 -1.880 -14.791 1.00 0.00 H new ATOM 0 HB3 LEU A 213 3.298 -3.322 -14.358 1.00 0.00 H new ATOM 0 HG LEU A 213 1.888 -2.261 -15.947 1.00 0.00 H new ATOM 0 HD11 LEU A 213 -0.055 -1.413 -14.651 1.00 0.00 H new ATOM 0 HD12 LEU A 213 0.653 -2.850 -13.874 1.00 0.00 H new ATOM 0 HD13 LEU A 213 0.983 -1.229 -13.217 1.00 0.00 H new ATOM 0 HD21 LEU A 213 1.406 0.176 -15.905 1.00 0.00 H new ATOM 0 HD22 LEU A 213 2.446 0.355 -14.472 1.00 0.00 H new ATOM 0 HD23 LEU A 213 3.155 -0.126 -16.031 1.00 0.00 H new ATOM 478 N PRO A 214 4.113 -3.749 -11.835 1.00 0.00 N ATOM 479 CA PRO A 214 5.053 -4.531 -11.041 1.00 0.00 C ATOM 480 C PRO A 214 6.309 -4.852 -11.856 1.00 0.00 C ATOM 481 O PRO A 214 7.215 -5.511 -11.386 1.00 0.00 O ATOM 482 CB PRO A 214 4.253 -5.803 -10.735 1.00 0.00 C ATOM 483 CG PRO A 214 2.872 -5.672 -11.407 1.00 0.00 C ATOM 484 CD PRO A 214 2.924 -4.461 -12.345 1.00 0.00 C ATOM 0 HA PRO A 214 5.406 -4.018 -10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 214 4.777 -6.682 -11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 214 4.142 -5.933 -9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 214 2.630 -6.577 -11.964 1.00 0.00 H new ATOM 0 HG3 PRO A 214 2.092 -5.542 -10.657 1.00 0.00 H new ATOM 0 HD2 PRO A 214 3.037 -4.754 -13.389 1.00 0.00 H new ATOM 0 HD3 PRO A 214 2.022 -3.853 -12.281 1.00 0.00 H new ATOM 662 N PHE A 225 4.599 -5.888 -6.845 1.00 0.00 N ATOM 663 CA PHE A 225 3.200 -5.359 -6.840 1.00 0.00 C ATOM 664 C PHE A 225 3.029 -4.338 -7.967 1.00 0.00 C ATOM 665 O PHE A 225 3.974 -3.975 -8.629 1.00 0.00 O ATOM 666 CB PHE A 225 3.012 -4.694 -5.467 1.00 0.00 C ATOM 667 CG PHE A 225 4.325 -4.128 -4.963 1.00 0.00 C ATOM 668 CD1 PHE A 225 5.181 -3.445 -5.837 1.00 0.00 C ATOM 669 CD2 PHE A 225 4.685 -4.293 -3.619 1.00 0.00 C ATOM 670 CE1 PHE A 225 6.394 -2.927 -5.368 1.00 0.00 C ATOM 671 CE2 PHE A 225 5.899 -3.773 -3.150 1.00 0.00 C ATOM 672 CZ PHE A 225 6.753 -3.091 -4.024 1.00 0.00 C ATOM 0 HA PHE A 225 2.462 -6.144 -7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 225 2.271 -3.898 -5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 225 2.626 -5.423 -4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 225 4.905 -3.318 -6.873 1.00 0.00 H new ATOM 0 HD2 PHE A 225 4.027 -4.821 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 225 7.053 -2.401 -6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 225 6.176 -3.899 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 225 7.689 -2.691 -3.662 1.00 0.00 H new ATOM 682 N CYS A 226 1.835 -3.864 -8.184 1.00 0.00 N ATOM 683 CA CYS A 226 1.612 -2.853 -9.272 1.00 0.00 C ATOM 684 C CYS A 226 1.054 -1.553 -8.657 1.00 0.00 C ATOM 685 O CYS A 226 -0.020 -1.552 -8.090 1.00 0.00 O ATOM 686 CB CYS A 226 0.568 -3.466 -10.227 1.00 0.00 C ATOM 687 SG CYS A 226 -0.609 -4.528 -9.351 1.00 0.00 S ATOM 0 H CYS A 226 1.001 -4.128 -7.660 1.00 0.00 H new ATOM 0 HA CYS A 226 2.538 -2.616 -9.796 1.00 0.00 H new ATOM 0 HB2 CYS A 226 0.028 -2.667 -10.735 1.00 0.00 H new ATOM 0 HB3 CYS A 226 1.077 -4.046 -10.997 1.00 0.00 H new ATOM 0 HG CYS A 226 -1.466 -5.017 -10.198 1.00 0.00 H new ATOM 693 N PHE A 227 1.753 -0.445 -8.764 1.00 0.00 N ATOM 694 CA PHE A 227 1.208 0.827 -8.174 1.00 0.00 C ATOM 695 C PHE A 227 0.514 1.650 -9.258 1.00 0.00 C ATOM 696 O PHE A 227 0.308 1.207 -10.366 1.00 0.00 O ATOM 697 CB PHE A 227 2.401 1.645 -7.641 1.00 0.00 C ATOM 698 CG PHE A 227 2.944 1.076 -6.347 1.00 0.00 C ATOM 699 CD1 PHE A 227 3.126 -0.303 -6.188 1.00 0.00 C ATOM 700 CD2 PHE A 227 3.287 1.951 -5.305 1.00 0.00 C ATOM 701 CE1 PHE A 227 3.647 -0.805 -4.987 1.00 0.00 C ATOM 702 CE2 PHE A 227 3.812 1.448 -4.109 1.00 0.00 C ATOM 703 CZ PHE A 227 3.991 0.070 -3.949 1.00 0.00 C ATOM 0 H PHE A 227 2.660 -0.364 -9.224 1.00 0.00 H new ATOM 0 HA PHE A 227 0.495 0.593 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 227 3.193 1.662 -8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 227 2.091 2.678 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 227 2.866 -0.979 -6.989 1.00 0.00 H new ATOM 0 HD2 PHE A 227 3.146 3.015 -5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 227 3.783 -1.869 -4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 227 4.079 2.124 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 227 4.394 -0.319 -3.026 1.00 0.00 H new ATOM 713 N ILE A 228 0.186 2.863 -8.933 1.00 0.00 N ATOM 714 CA ILE A 228 -0.465 3.776 -9.910 1.00 0.00 C ATOM 715 C ILE A 228 -0.398 5.191 -9.320 1.00 0.00 C ATOM 716 O ILE A 228 -0.603 5.363 -8.139 1.00 0.00 O ATOM 717 CB ILE A 228 -1.921 3.302 -10.013 1.00 0.00 C ATOM 718 CG1 ILE A 228 -1.993 2.088 -10.957 1.00 0.00 C ATOM 719 CG2 ILE A 228 -2.795 4.448 -10.545 1.00 0.00 C ATOM 720 CD1 ILE A 228 -3.336 2.052 -11.693 1.00 0.00 C ATOM 0 H ILE A 228 0.344 3.271 -8.012 1.00 0.00 H new ATOM 0 HA ILE A 228 0.006 3.777 -10.893 1.00 0.00 H new ATOM 0 HB ILE A 228 -2.288 3.009 -9.030 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -1.178 2.134 -11.679 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.861 1.169 -10.386 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -3.829 4.113 -10.619 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -2.736 5.297 -9.864 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -2.440 4.749 -11.531 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.365 1.186 -12.355 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -4.147 1.982 -10.968 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -3.453 2.962 -12.281 1.00 0.00 H new ATOM 732 N THR A 229 -0.108 6.210 -10.084 1.00 0.00 N ATOM 733 CA THR A 229 -0.042 7.558 -9.456 1.00 0.00 C ATOM 734 C THR A 229 -1.181 8.427 -9.949 1.00 0.00 C ATOM 735 O THR A 229 -1.593 8.352 -11.090 1.00 0.00 O ATOM 736 CB THR A 229 1.306 8.147 -9.870 1.00 0.00 C ATOM 737 OG1 THR A 229 1.582 9.289 -9.072 1.00 0.00 O ATOM 738 CG2 THR A 229 1.258 8.556 -11.341 1.00 0.00 C ATOM 0 H THR A 229 0.081 6.171 -11.086 1.00 0.00 H new ATOM 0 HA THR A 229 -0.134 7.501 -8.371 1.00 0.00 H new ATOM 0 HB THR A 229 2.088 7.401 -9.728 1.00 0.00 H new ATOM 0 HG1 THR A 229 2.447 9.669 -9.333 1.00 0.00 H new ATOM 0 HG21 THR A 229 2.220 8.976 -11.634 1.00 0.00 H new ATOM 0 HG22 THR A 229 1.042 7.682 -11.955 1.00 0.00 H new ATOM 0 HG23 THR A 229 0.477 9.303 -11.486 1.00 0.00 H new ATOM 746 N PHE A 230 -1.695 9.250 -9.094 1.00 0.00 N ATOM 747 CA PHE A 230 -2.824 10.129 -9.524 1.00 0.00 C ATOM 748 C PHE A 230 -2.343 11.562 -9.771 1.00 0.00 C ATOM 749 O PHE A 230 -1.333 11.783 -10.407 1.00 0.00 O ATOM 750 CB PHE A 230 -3.855 10.086 -8.400 1.00 0.00 C ATOM 751 CG PHE A 230 -4.394 8.679 -8.236 1.00 0.00 C ATOM 752 CD1 PHE A 230 -4.274 7.743 -9.273 1.00 0.00 C ATOM 753 CD2 PHE A 230 -5.020 8.315 -7.038 1.00 0.00 C ATOM 754 CE1 PHE A 230 -4.782 6.447 -9.109 1.00 0.00 C ATOM 755 CE2 PHE A 230 -5.526 7.020 -6.874 1.00 0.00 C ATOM 756 CZ PHE A 230 -5.406 6.086 -7.909 1.00 0.00 C ATOM 0 H PHE A 230 -1.394 9.359 -8.126 1.00 0.00 H new ATOM 0 HA PHE A 230 -3.253 9.782 -10.464 1.00 0.00 H new ATOM 0 HB2 PHE A 230 -3.401 10.420 -7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 230 -4.672 10.773 -8.620 1.00 0.00 H new ATOM 0 HD1 PHE A 230 -3.790 8.021 -10.198 1.00 0.00 H new ATOM 0 HD2 PHE A 230 -5.113 9.035 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 230 -4.692 5.727 -9.909 1.00 0.00 H new ATOM 0 HE2 PHE A 230 -6.009 6.742 -5.949 1.00 0.00 H new ATOM 0 HZ PHE A 230 -5.795 5.086 -7.782 1.00 0.00 H new ATOM 766 N LYS A 231 -3.077 12.540 -9.306 1.00 0.00 N ATOM 767 CA LYS A 231 -2.680 13.949 -9.553 1.00 0.00 C ATOM 768 C LYS A 231 -3.242 14.864 -8.460 1.00 0.00 C ATOM 769 O LYS A 231 -2.538 15.675 -7.893 1.00 0.00 O ATOM 770 CB LYS A 231 -3.324 14.249 -10.901 1.00 0.00 C ATOM 771 CG LYS A 231 -3.455 15.762 -11.097 1.00 0.00 C ATOM 772 CD LYS A 231 -4.929 16.161 -11.010 1.00 0.00 C ATOM 773 CE LYS A 231 -5.107 17.223 -9.922 1.00 0.00 C ATOM 774 NZ LYS A 231 -4.658 18.498 -10.549 1.00 0.00 N ATOM 0 H LYS A 231 -3.934 12.419 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.602 14.107 -9.548 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -2.723 13.821 -11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -4.307 13.781 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -2.879 16.289 -10.337 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.045 16.051 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -5.269 16.548 -11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -5.541 15.287 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.146 17.287 -9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -4.513 16.987 -9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -4.006 18.991 -9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.170 18.292 -11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -5.483 19.103 -10.736 1.00 0.00 H new ATOM 788 N GLU A 232 -4.505 14.738 -8.157 1.00 0.00 N ATOM 789 CA GLU A 232 -5.104 15.596 -7.094 1.00 0.00 C ATOM 790 C GLU A 232 -4.737 15.029 -5.723 1.00 0.00 C ATOM 791 O GLU A 232 -4.143 15.710 -4.918 1.00 0.00 O ATOM 792 CB GLU A 232 -6.615 15.526 -7.326 1.00 0.00 C ATOM 793 CG GLU A 232 -7.316 16.541 -6.420 1.00 0.00 C ATOM 794 CD GLU A 232 -8.831 16.415 -6.589 1.00 0.00 C ATOM 795 OE1 GLU A 232 -9.252 15.617 -7.410 1.00 0.00 O ATOM 796 OE2 GLU A 232 -9.545 17.120 -5.895 1.00 0.00 O ATOM 0 H GLU A 232 -5.147 14.080 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 232 -4.745 16.625 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 232 -6.844 15.736 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 232 -6.980 14.521 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 232 -7.040 16.368 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 232 -6.994 17.552 -6.671 1.00 0.00 H new ATOM 803 N GLU A 233 -5.083 13.769 -5.503 1.00 0.00 N ATOM 804 CA GLU A 233 -4.790 13.017 -4.219 1.00 0.00 C ATOM 805 C GLU A 233 -6.100 12.341 -3.767 1.00 0.00 C ATOM 806 O GLU A 233 -6.120 11.333 -3.077 1.00 0.00 O ATOM 807 CB GLU A 233 -4.370 14.027 -3.138 1.00 0.00 C ATOM 808 CG GLU A 233 -5.495 15.039 -2.901 1.00 0.00 C ATOM 809 CD GLU A 233 -6.261 14.667 -1.630 1.00 0.00 C ATOM 810 OE1 GLU A 233 -7.048 13.736 -1.688 1.00 0.00 O ATOM 811 OE2 GLU A 233 -6.050 15.320 -0.622 1.00 0.00 O ATOM 0 H GLU A 233 -5.579 13.206 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.999 12.283 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.139 13.504 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -3.462 14.546 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -5.081 16.043 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -6.172 15.052 -3.755 1.00 0.00 H new ATOM 818 N GLU A 234 -7.200 12.941 -4.150 1.00 0.00 N ATOM 819 CA GLU A 234 -8.553 12.433 -3.769 1.00 0.00 C ATOM 820 C GLU A 234 -8.803 10.980 -4.203 1.00 0.00 C ATOM 821 O GLU A 234 -9.323 10.203 -3.425 1.00 0.00 O ATOM 822 CB GLU A 234 -9.522 13.365 -4.494 1.00 0.00 C ATOM 823 CG GLU A 234 -10.735 13.637 -3.602 1.00 0.00 C ATOM 824 CD GLU A 234 -11.980 13.010 -4.232 1.00 0.00 C ATOM 825 OE1 GLU A 234 -12.173 11.818 -4.056 1.00 0.00 O ATOM 826 OE2 GLU A 234 -12.719 13.732 -4.880 1.00 0.00 O ATOM 0 H GLU A 234 -7.216 13.783 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 234 -8.669 12.428 -2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 234 -9.024 14.302 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 234 -9.842 12.914 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 234 -10.569 13.223 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 234 -10.877 14.711 -3.480 1.00 0.00 H new ATOM 833 N PRO A 235 -8.463 10.642 -5.425 1.00 0.00 N ATOM 834 CA PRO A 235 -8.716 9.265 -5.899 1.00 0.00 C ATOM 835 C PRO A 235 -8.076 8.264 -4.939 1.00 0.00 C ATOM 836 O PRO A 235 -8.545 7.156 -4.777 1.00 0.00 O ATOM 837 CB PRO A 235 -8.074 9.257 -7.287 1.00 0.00 C ATOM 838 CG PRO A 235 -7.487 10.655 -7.564 1.00 0.00 C ATOM 839 CD PRO A 235 -7.808 11.574 -6.374 1.00 0.00 C ATOM 0 HA PRO A 235 -9.768 8.983 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 235 -7.291 8.501 -7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 235 -8.814 9.000 -8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 235 -6.409 10.589 -7.709 1.00 0.00 H new ATOM 0 HG3 PRO A 235 -7.908 11.066 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 235 -6.908 12.021 -5.950 1.00 0.00 H new ATOM 0 HD3 PRO A 235 -8.467 12.394 -6.659 1.00 0.00 H new ATOM 847 N VAL A 236 -7.033 8.662 -4.267 1.00 0.00 N ATOM 848 CA VAL A 236 -6.397 7.749 -3.281 1.00 0.00 C ATOM 849 C VAL A 236 -7.290 7.676 -2.056 1.00 0.00 C ATOM 850 O VAL A 236 -7.540 6.625 -1.510 1.00 0.00 O ATOM 851 CB VAL A 236 -5.063 8.406 -2.928 1.00 0.00 C ATOM 852 CG1 VAL A 236 -4.648 8.044 -1.496 1.00 0.00 C ATOM 853 CG2 VAL A 236 -4.008 7.911 -3.897 1.00 0.00 C ATOM 0 H VAL A 236 -6.595 9.579 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 236 -6.251 6.738 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 236 -5.165 9.489 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 236 -3.696 8.520 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 236 -5.409 8.392 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 236 -4.543 6.962 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 236 -3.049 8.371 -3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 236 -3.920 6.828 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 236 -4.295 8.178 -4.914 1.00 0.00 H new ATOM 863 N LYS A 237 -7.775 8.801 -1.627 1.00 0.00 N ATOM 864 CA LYS A 237 -8.668 8.809 -0.438 1.00 0.00 C ATOM 865 C LYS A 237 -9.669 7.678 -0.570 1.00 0.00 C ATOM 866 O LYS A 237 -9.895 6.900 0.340 1.00 0.00 O ATOM 867 CB LYS A 237 -9.417 10.133 -0.498 1.00 0.00 C ATOM 868 CG LYS A 237 -9.157 10.935 0.778 1.00 0.00 C ATOM 869 CD LYS A 237 -10.428 10.970 1.629 1.00 0.00 C ATOM 870 CE LYS A 237 -10.073 11.391 3.058 1.00 0.00 C ATOM 871 NZ LYS A 237 -11.064 12.447 3.405 1.00 0.00 N ATOM 0 H LYS A 237 -7.594 9.714 -2.045 1.00 0.00 H new ATOM 0 HA LYS A 237 -8.113 8.690 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 237 -9.095 10.704 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 237 -10.486 9.952 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 237 -8.341 10.484 1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 237 -8.848 11.949 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 237 -11.147 11.669 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 237 -10.902 9.989 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 237 -10.137 10.548 3.746 1.00 0.00 H new ATOM 0 HE3 LYS A 237 -9.053 11.772 3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 -10.886 12.786 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 -10.975 13.240 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 -12.025 12.053 3.348 1.00 0.00 H new ATOM 885 N LYS A 238 -10.272 7.590 -1.715 1.00 0.00 N ATOM 886 CA LYS A 238 -11.274 6.524 -1.933 1.00 0.00 C ATOM 887 C LYS A 238 -10.588 5.172 -1.999 1.00 0.00 C ATOM 888 O LYS A 238 -10.840 4.286 -1.207 1.00 0.00 O ATOM 889 CB LYS A 238 -11.916 6.826 -3.282 1.00 0.00 C ATOM 890 CG LYS A 238 -13.429 6.969 -3.113 1.00 0.00 C ATOM 891 CD LYS A 238 -13.791 8.449 -2.985 1.00 0.00 C ATOM 892 CE LYS A 238 -15.230 8.666 -3.461 1.00 0.00 C ATOM 893 NZ LYS A 238 -15.102 9.379 -4.762 1.00 0.00 N ATOM 0 H LYS A 238 -10.114 8.211 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 238 -12.006 6.495 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 238 -11.499 7.743 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 238 -11.693 6.026 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 238 -13.944 6.530 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 238 -13.760 6.425 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 238 -13.687 8.771 -1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 238 -13.105 9.055 -3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 238 -15.753 7.717 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 238 -15.799 9.256 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 238 -16.049 9.563 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 238 -14.606 10.281 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 238 -14.562 8.791 -5.428 1.00 0.00 H new ATOM 907 N ILE A 239 -9.725 5.012 -2.954 1.00 0.00 N ATOM 908 CA ILE A 239 -9.016 3.718 -3.102 1.00 0.00 C ATOM 909 C ILE A 239 -8.535 3.235 -1.731 1.00 0.00 C ATOM 910 O ILE A 239 -8.973 2.221 -1.229 1.00 0.00 O ATOM 911 CB ILE A 239 -7.830 4.011 -4.021 1.00 0.00 C ATOM 912 CG1 ILE A 239 -8.335 4.258 -5.446 1.00 0.00 C ATOM 913 CG2 ILE A 239 -6.877 2.817 -4.019 1.00 0.00 C ATOM 914 CD1 ILE A 239 -9.303 3.145 -5.853 1.00 0.00 C ATOM 0 H ILE A 239 -9.478 5.724 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 239 -9.655 2.936 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 239 -7.305 4.897 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -8.834 5.225 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -7.494 4.293 -6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -6.031 3.025 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -6.516 2.641 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -7.403 1.931 -4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -9.659 3.325 -6.867 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -8.790 2.184 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -10.151 3.131 -5.168 1.00 0.00 H new ATOM 926 N MET A 240 -7.643 3.963 -1.119 1.00 0.00 N ATOM 927 CA MET A 240 -7.141 3.553 0.223 1.00 0.00 C ATOM 928 C MET A 240 -8.312 3.166 1.136 1.00 0.00 C ATOM 929 O MET A 240 -8.191 2.295 1.974 1.00 0.00 O ATOM 930 CB MET A 240 -6.419 4.786 0.769 1.00 0.00 C ATOM 931 CG MET A 240 -5.478 4.367 1.899 1.00 0.00 C ATOM 932 SD MET A 240 -6.133 4.958 3.479 1.00 0.00 S ATOM 933 CE MET A 240 -5.155 6.478 3.572 1.00 0.00 C ATOM 0 H MET A 240 -7.240 4.824 -1.489 1.00 0.00 H new ATOM 0 HA MET A 240 -6.484 2.685 0.169 1.00 0.00 H new ATOM 0 HB2 MET A 240 -5.855 5.272 -0.027 1.00 0.00 H new ATOM 0 HB3 MET A 240 -7.144 5.513 1.136 1.00 0.00 H new ATOM 0 HG2 MET A 240 -5.376 3.282 1.918 1.00 0.00 H new ATOM 0 HG3 MET A 240 -4.483 4.778 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 240 -5.402 7.014 4.488 1.00 0.00 H new ATOM 0 HE2 MET A 240 -4.094 6.228 3.573 1.00 0.00 H new ATOM 0 HE3 MET A 240 -5.379 7.108 2.711 1.00 0.00 H new ATOM 943 N GLU A 241 -9.444 3.805 0.985 1.00 0.00 N ATOM 944 CA GLU A 241 -10.612 3.464 1.854 1.00 0.00 C ATOM 945 C GLU A 241 -11.218 2.112 1.452 1.00 0.00 C ATOM 946 O GLU A 241 -12.203 1.675 2.015 1.00 0.00 O ATOM 947 CB GLU A 241 -11.620 4.592 1.629 1.00 0.00 C ATOM 948 CG GLU A 241 -12.317 4.922 2.950 1.00 0.00 C ATOM 949 CD GLU A 241 -13.574 5.749 2.673 1.00 0.00 C ATOM 950 OE1 GLU A 241 -14.440 5.256 1.970 1.00 0.00 O ATOM 951 OE2 GLU A 241 -13.651 6.859 3.172 1.00 0.00 O ATOM 0 H GLU A 241 -9.610 4.544 0.302 1.00 0.00 H new ATOM 0 HA GLU A 241 -10.324 3.374 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -11.113 5.476 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -12.355 4.294 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -12.582 4.003 3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -11.641 5.476 3.601 1.00 0.00 H new ATOM 958 N LYS A 242 -10.640 1.443 0.491 1.00 0.00 N ATOM 959 CA LYS A 242 -11.183 0.118 0.063 1.00 0.00 C ATOM 960 C LYS A 242 -10.023 -0.842 -0.217 1.00 0.00 C ATOM 961 O LYS A 242 -9.949 -1.455 -1.260 1.00 0.00 O ATOM 962 CB LYS A 242 -11.974 0.403 -1.214 1.00 0.00 C ATOM 963 CG LYS A 242 -13.468 0.466 -0.888 1.00 0.00 C ATOM 964 CD LYS A 242 -13.918 -0.868 -0.290 1.00 0.00 C ATOM 965 CE LYS A 242 -14.402 -0.653 1.145 1.00 0.00 C ATOM 966 NZ LYS A 242 -15.857 -0.969 1.112 1.00 0.00 N ATOM 0 H LYS A 242 -9.813 1.756 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 242 -11.811 -0.346 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -11.647 1.345 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -11.785 -0.376 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -13.664 1.276 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -14.039 0.683 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -14.718 -1.297 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -13.093 -1.580 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -13.873 -1.303 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -14.228 0.373 1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -16.261 -0.844 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -16.336 -0.330 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -15.992 -1.954 0.805 1.00 0.00 H new ATOM 980 N LYS A 243 -9.121 -0.949 0.720 1.00 0.00 N ATOM 981 CA LYS A 243 -7.919 -1.833 0.574 1.00 0.00 C ATOM 982 C LYS A 243 -8.144 -3.017 -0.381 1.00 0.00 C ATOM 983 O LYS A 243 -7.237 -3.429 -1.077 1.00 0.00 O ATOM 984 CB LYS A 243 -7.655 -2.349 1.988 1.00 0.00 C ATOM 985 CG LYS A 243 -6.510 -3.361 1.956 1.00 0.00 C ATOM 986 CD LYS A 243 -6.475 -4.131 3.277 1.00 0.00 C ATOM 987 CE LYS A 243 -5.603 -3.379 4.283 1.00 0.00 C ATOM 988 NZ LYS A 243 -4.500 -4.323 4.612 1.00 0.00 N ATOM 0 H LYS A 243 -9.165 -0.448 1.607 1.00 0.00 H new ATOM 0 HA LYS A 243 -7.087 -1.277 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.403 -1.519 2.648 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.555 -2.814 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.644 -4.052 1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -5.561 -2.848 1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -7.485 -4.246 3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -6.080 -5.134 3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -5.217 -2.453 3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -6.170 -3.108 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -3.857 -3.880 5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -4.898 -5.192 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -3.974 -4.557 3.746 1.00 0.00 H new ATOM 1002 N TYR A 244 -9.315 -3.590 -0.419 1.00 0.00 N ATOM 1003 CA TYR A 244 -9.521 -4.753 -1.334 1.00 0.00 C ATOM 1004 C TYR A 244 -10.635 -4.443 -2.346 1.00 0.00 C ATOM 1005 O TYR A 244 -11.802 -4.634 -2.071 1.00 0.00 O ATOM 1006 CB TYR A 244 -9.928 -5.902 -0.407 1.00 0.00 C ATOM 1007 CG TYR A 244 -9.398 -7.213 -0.948 1.00 0.00 C ATOM 1008 CD1 TYR A 244 -8.033 -7.342 -1.229 1.00 0.00 C ATOM 1009 CD2 TYR A 244 -10.259 -8.301 -1.150 1.00 0.00 C ATOM 1010 CE1 TYR A 244 -7.528 -8.554 -1.715 1.00 0.00 C ATOM 1011 CE2 TYR A 244 -9.752 -9.514 -1.631 1.00 0.00 C ATOM 1012 CZ TYR A 244 -8.388 -9.639 -1.916 1.00 0.00 C ATOM 1013 OH TYR A 244 -7.889 -10.835 -2.390 1.00 0.00 O ATOM 0 H TYR A 244 -10.127 -3.312 0.132 1.00 0.00 H new ATOM 0 HA TYR A 244 -8.632 -4.993 -1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 244 -9.537 -5.728 0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 244 -11.014 -5.946 -0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 244 -7.368 -6.506 -1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 244 -11.313 -8.203 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 244 -6.475 -8.651 -1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 244 -10.414 -10.354 -1.782 1.00 0.00 H new ATOM 0 HH TYR A 244 -8.199 -11.568 -1.818 1.00 0.00 H new ATOM 1023 N HIS A 245 -10.286 -3.966 -3.517 1.00 0.00 N ATOM 1024 CA HIS A 245 -11.335 -3.648 -4.537 1.00 0.00 C ATOM 1025 C HIS A 245 -11.482 -4.796 -5.540 1.00 0.00 C ATOM 1026 O HIS A 245 -11.272 -5.949 -5.223 1.00 0.00 O ATOM 1027 CB HIS A 245 -10.845 -2.400 -5.278 1.00 0.00 C ATOM 1028 CG HIS A 245 -10.201 -1.428 -4.331 1.00 0.00 C ATOM 1029 ND1 HIS A 245 -8.983 -1.432 -3.699 1.00 0.00 N flip ATOM 1030 CD2 HIS A 245 -10.806 -0.234 -3.976 1.00 0.00 C flip ATOM 1031 CE1 HIS A 245 -8.828 -0.257 -2.969 1.00 0.00 C flip ATOM 1032 NE2 HIS A 245 -9.956 0.427 -3.170 1.00 0.00 N flip ATOM 0 H HIS A 245 -9.326 -3.784 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 245 -12.302 -3.494 -4.058 1.00 0.00 H new ATOM 0 HB2 HIS A 245 -10.131 -2.688 -6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 245 -11.683 -1.920 -5.783 1.00 0.00 H new ATOM 0 HD2 HIS A 245 -11.782 0.105 -4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 245 -7.979 0.037 -2.370 1.00 0.00 H new ATOM 0 HE2 HIS A 245 -10.150 1.341 -2.762 1.00 0.00 H new ATOM 1040 N ASN A 246 -11.832 -4.471 -6.758 1.00 0.00 N ATOM 1041 CA ASN A 246 -11.990 -5.514 -7.813 1.00 0.00 C ATOM 1042 C ASN A 246 -11.547 -4.939 -9.164 1.00 0.00 C ATOM 1043 O ASN A 246 -11.821 -3.796 -9.476 1.00 0.00 O ATOM 1044 CB ASN A 246 -13.486 -5.837 -7.834 1.00 0.00 C ATOM 1045 CG ASN A 246 -13.768 -7.036 -6.925 1.00 0.00 C ATOM 1046 OD1 ASN A 246 -13.699 -8.169 -7.356 1.00 0.00 O ATOM 1047 ND2 ASN A 246 -14.088 -6.833 -5.676 1.00 0.00 N ATOM 0 H ASN A 246 -12.017 -3.517 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 246 -11.390 -6.403 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 246 -14.059 -4.972 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 246 -13.806 -6.057 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 246 -14.280 -7.626 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 246 -14.146 -5.882 -5.313 1.00 0.00 H new ATOM 1054 N VAL A 247 -10.864 -5.709 -9.966 1.00 0.00 N ATOM 1055 CA VAL A 247 -10.413 -5.181 -11.288 1.00 0.00 C ATOM 1056 C VAL A 247 -10.719 -6.194 -12.393 1.00 0.00 C ATOM 1057 O VAL A 247 -10.254 -7.316 -12.366 1.00 0.00 O ATOM 1058 CB VAL A 247 -8.903 -4.977 -11.143 1.00 0.00 C ATOM 1059 CG1 VAL A 247 -8.276 -4.810 -12.529 1.00 0.00 C ATOM 1060 CG2 VAL A 247 -8.636 -3.720 -10.308 1.00 0.00 C ATOM 0 H VAL A 247 -10.600 -6.674 -9.767 1.00 0.00 H new ATOM 0 HA VAL A 247 -10.921 -4.255 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 247 -8.465 -5.843 -10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 247 -7.201 -4.665 -12.427 1.00 0.00 H new ATOM 0 HG12 VAL A 247 -8.466 -5.703 -13.124 1.00 0.00 H new ATOM 0 HG13 VAL A 247 -8.714 -3.943 -13.024 1.00 0.00 H new ATOM 0 HG21 VAL A 247 -7.561 -3.574 -10.204 1.00 0.00 H new ATOM 0 HG22 VAL A 247 -9.074 -2.854 -10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 247 -9.083 -3.837 -9.321 1.00 0.00 H new ATOM 1070 N GLY A 248 -11.503 -5.808 -13.363 1.00 0.00 N ATOM 1071 CA GLY A 248 -11.843 -6.751 -14.466 1.00 0.00 C ATOM 1072 C GLY A 248 -12.368 -8.055 -13.866 1.00 0.00 C ATOM 1073 O GLY A 248 -13.548 -8.209 -13.624 1.00 0.00 O ATOM 0 H GLY A 248 -11.922 -4.881 -13.439 1.00 0.00 H new ATOM 0 HA2 GLY A 248 -12.594 -6.309 -15.120 1.00 0.00 H new ATOM 0 HA3 GLY A 248 -10.963 -6.947 -15.078 1.00 0.00 H new ATOM 1077 N LEU A 249 -11.497 -8.992 -13.615 1.00 0.00 N ATOM 1078 CA LEU A 249 -11.941 -10.283 -13.022 1.00 0.00 C ATOM 1079 C LEU A 249 -10.986 -10.694 -11.899 1.00 0.00 C ATOM 1080 O LEU A 249 -10.750 -11.863 -11.666 1.00 0.00 O ATOM 1081 CB LEU A 249 -11.895 -11.290 -14.172 1.00 0.00 C ATOM 1082 CG LEU A 249 -13.192 -11.198 -14.979 1.00 0.00 C ATOM 1083 CD1 LEU A 249 -12.906 -10.545 -16.332 1.00 0.00 C ATOM 1084 CD2 LEU A 249 -13.757 -12.602 -15.203 1.00 0.00 C ATOM 0 H LEU A 249 -10.496 -8.919 -13.795 1.00 0.00 H new ATOM 0 HA LEU A 249 -12.938 -10.221 -12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 249 -11.038 -11.086 -14.815 1.00 0.00 H new ATOM 0 HB3 LEU A 249 -11.767 -12.300 -13.781 1.00 0.00 H new ATOM 0 HG LEU A 249 -13.917 -10.598 -14.430 1.00 0.00 H new ATOM 0 HD11 LEU A 249 -13.830 -10.479 -16.907 1.00 0.00 H new ATOM 0 HD12 LEU A 249 -12.504 -9.544 -16.175 1.00 0.00 H new ATOM 0 HD13 LEU A 249 -12.180 -11.146 -16.880 1.00 0.00 H new ATOM 0 HD21 LEU A 249 -14.681 -12.535 -15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 249 -13.031 -13.203 -15.751 1.00 0.00 H new ATOM 0 HD23 LEU A 249 -13.962 -13.070 -14.240 1.00 0.00 H new ATOM 1096 N SER A 250 -10.439 -9.737 -11.201 1.00 0.00 N ATOM 1097 CA SER A 250 -9.501 -10.060 -10.089 1.00 0.00 C ATOM 1098 C SER A 250 -9.595 -8.978 -9.015 1.00 0.00 C ATOM 1099 O SER A 250 -9.807 -7.818 -9.311 1.00 0.00 O ATOM 1100 CB SER A 250 -8.112 -10.068 -10.725 1.00 0.00 C ATOM 1101 OG SER A 250 -7.334 -11.104 -10.139 1.00 0.00 O ATOM 0 H SER A 250 -10.602 -8.742 -11.354 1.00 0.00 H new ATOM 0 HA SER A 250 -9.727 -11.014 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 250 -8.193 -10.222 -11.801 1.00 0.00 H new ATOM 0 HB3 SER A 250 -7.626 -9.104 -10.577 1.00 0.00 H new ATOM 0 HG SER A 250 -6.442 -11.114 -10.546 1.00 0.00 H new ATOM 1107 N LYS A 251 -9.452 -9.337 -7.771 1.00 0.00 N ATOM 1108 CA LYS A 251 -9.549 -8.310 -6.701 1.00 0.00 C ATOM 1109 C LYS A 251 -8.197 -8.119 -6.000 1.00 0.00 C ATOM 1110 O LYS A 251 -8.096 -8.208 -4.793 1.00 0.00 O ATOM 1111 CB LYS A 251 -10.616 -8.841 -5.736 1.00 0.00 C ATOM 1112 CG LYS A 251 -10.009 -9.869 -4.783 1.00 0.00 C ATOM 1113 CD LYS A 251 -11.083 -10.871 -4.362 1.00 0.00 C ATOM 1114 CE LYS A 251 -10.446 -12.249 -4.165 1.00 0.00 C ATOM 1115 NZ LYS A 251 -11.498 -13.067 -3.501 1.00 0.00 N ATOM 0 H LYS A 251 -9.274 -10.289 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 251 -9.818 -7.330 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 251 -11.043 -8.016 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 251 -11.431 -9.295 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 251 -9.183 -10.388 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 251 -9.599 -9.369 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 251 -11.559 -10.543 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 251 -11.863 -10.924 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 251 -10.149 -12.686 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 251 -9.549 -12.185 -3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 251 -11.136 -14.027 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 251 -11.756 -12.630 -2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 251 -12.337 -13.116 -4.113 1.00 0.00 H new ATOM 1129 N CYS A 252 -7.163 -7.830 -6.752 1.00 0.00 N ATOM 1130 CA CYS A 252 -5.821 -7.600 -6.131 1.00 0.00 C ATOM 1131 C CYS A 252 -6.001 -6.791 -4.845 1.00 0.00 C ATOM 1132 O CYS A 252 -7.020 -6.156 -4.650 1.00 0.00 O ATOM 1133 CB CYS A 252 -5.046 -6.782 -7.164 1.00 0.00 C ATOM 1134 SG CYS A 252 -5.001 -7.675 -8.740 1.00 0.00 S ATOM 0 H CYS A 252 -7.190 -7.743 -7.768 1.00 0.00 H new ATOM 0 HA CYS A 252 -5.305 -8.526 -5.877 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -5.518 -5.809 -7.300 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -4.032 -6.598 -6.810 1.00 0.00 H new ATOM 0 HG CYS A 252 -4.343 -6.976 -9.616 1.00 0.00 H new ATOM 1140 N GLU A 253 -5.035 -6.776 -3.973 1.00 0.00 N ATOM 1141 CA GLU A 253 -5.216 -5.963 -2.731 1.00 0.00 C ATOM 1142 C GLU A 253 -4.750 -4.548 -3.004 1.00 0.00 C ATOM 1143 O GLU A 253 -4.292 -4.240 -4.085 1.00 0.00 O ATOM 1144 CB GLU A 253 -4.379 -6.591 -1.606 1.00 0.00 C ATOM 1145 CG GLU A 253 -3.141 -7.294 -2.163 1.00 0.00 C ATOM 1146 CD GLU A 253 -3.481 -8.747 -2.499 1.00 0.00 C ATOM 1147 OE1 GLU A 253 -4.577 -8.982 -2.982 1.00 0.00 O ATOM 1148 OE2 GLU A 253 -2.639 -9.600 -2.270 1.00 0.00 O ATOM 0 H GLU A 253 -4.149 -7.275 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 253 -6.264 -5.943 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -4.075 -5.818 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -4.988 -7.306 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -2.788 -6.777 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -2.332 -7.259 -1.433 1.00 0.00 H new ATOM 1155 N ILE A 254 -4.877 -3.676 -2.055 1.00 0.00 N ATOM 1156 CA ILE A 254 -4.452 -2.277 -2.317 1.00 0.00 C ATOM 1157 C ILE A 254 -3.962 -1.571 -1.050 1.00 0.00 C ATOM 1158 O ILE A 254 -4.438 -1.791 0.046 1.00 0.00 O ATOM 1159 CB ILE A 254 -5.704 -1.595 -2.898 1.00 0.00 C ATOM 1160 CG1 ILE A 254 -5.673 -1.717 -4.424 1.00 0.00 C ATOM 1161 CG2 ILE A 254 -5.743 -0.110 -2.516 1.00 0.00 C ATOM 1162 CD1 ILE A 254 -6.385 -3.000 -4.854 1.00 0.00 C ATOM 0 H ILE A 254 -5.249 -3.862 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 254 -3.603 -2.236 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 254 -6.590 -2.083 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 254 -6.157 -0.852 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 254 -4.642 -1.727 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 254 -6.636 0.351 -2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 254 -5.763 -0.014 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 254 -4.857 0.390 -2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 254 -6.361 -3.083 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 254 -5.882 -3.861 -4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 254 -7.421 -2.972 -4.515 1.00 0.00 H new ATOM 1174 N LYS A 255 -3.020 -0.698 -1.239 1.00 0.00 N ATOM 1175 CA LYS A 255 -2.442 0.107 -0.135 1.00 0.00 C ATOM 1176 C LYS A 255 -1.866 1.364 -0.782 1.00 0.00 C ATOM 1177 O LYS A 255 -0.872 1.313 -1.475 1.00 0.00 O ATOM 1178 CB LYS A 255 -1.349 -0.765 0.487 1.00 0.00 C ATOM 1179 CG LYS A 255 -0.324 0.120 1.200 1.00 0.00 C ATOM 1180 CD LYS A 255 0.514 -0.733 2.154 1.00 0.00 C ATOM 1181 CE LYS A 255 1.201 0.172 3.180 1.00 0.00 C ATOM 1182 NZ LYS A 255 0.466 -0.064 4.453 1.00 0.00 N ATOM 0 H LYS A 255 -2.610 -0.502 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 255 -3.154 0.400 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -1.790 -1.468 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -0.858 -1.356 -0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 255 0.322 0.607 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -0.832 0.910 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -0.121 -1.460 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 255 1.260 -1.297 1.594 1.00 0.00 H new ATOM 0 HE2 LYS A 255 2.257 -0.077 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 255 1.148 1.219 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 0.879 0.522 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -0.535 0.188 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 0.540 -1.068 4.716 1.00 0.00 H new ATOM 1196 N VAL A 256 -2.530 2.472 -0.623 1.00 0.00 N ATOM 1197 CA VAL A 256 -2.080 3.731 -1.285 1.00 0.00 C ATOM 1198 C VAL A 256 -0.553 3.849 -1.370 1.00 0.00 C ATOM 1199 O VAL A 256 0.184 3.177 -0.674 1.00 0.00 O ATOM 1200 CB VAL A 256 -2.663 4.853 -0.456 1.00 0.00 C ATOM 1201 CG1 VAL A 256 -2.272 4.678 1.012 1.00 0.00 C ATOM 1202 CG2 VAL A 256 -2.131 6.179 -0.983 1.00 0.00 C ATOM 0 H VAL A 256 -3.374 2.563 -0.058 1.00 0.00 H new ATOM 0 HA VAL A 256 -2.421 3.758 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 256 -3.751 4.837 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 256 -2.697 5.491 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 256 -2.654 3.726 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 256 -1.186 4.692 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 256 -2.544 6.997 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 256 -1.044 6.191 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 256 -2.424 6.300 -2.026 1.00 0.00 H new ATOM 1212 N ALA A 257 -0.084 4.711 -2.235 1.00 0.00 N ATOM 1213 CA ALA A 257 1.380 4.901 -2.413 1.00 0.00 C ATOM 1214 C ALA A 257 1.702 6.389 -2.590 1.00 0.00 C ATOM 1215 O ALA A 257 0.872 7.172 -3.020 1.00 0.00 O ATOM 1216 CB ALA A 257 1.710 4.134 -3.695 1.00 0.00 C ATOM 0 H ALA A 257 -0.665 5.298 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 257 1.954 4.550 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 257 2.776 4.219 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 257 1.448 3.084 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 257 1.141 4.552 -4.526 1.00 0.00 H new