USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 411 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.114 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0175 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 75:sc= 0.324 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.195) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0624) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 37 TYR OH : rot 15:sc= -3.36 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 52 TYR OH : rot 95:sc= 0.689 USER MOD Single : A 55 MET CE :methyl 174:sc= 0 (180deg=-0.0109) USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= -3.71! (180deg=-6.13!) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -3.594 -3.876 -30.760 1.00 0.00 N ATOM 125 CA MET A 1 -4.393 -5.057 -30.340 1.00 0.00 C ATOM 126 C MET A 1 -5.163 -4.710 -29.094 1.00 0.00 C ATOM 127 O MET A 1 -5.157 -3.574 -28.650 1.00 0.00 O ATOM 128 CB MET A 1 -3.472 -6.243 -30.056 1.00 0.00 C ATOM 129 CG MET A 1 -3.290 -7.047 -31.332 1.00 0.00 C ATOM 130 SD MET A 1 -1.751 -7.993 -31.244 1.00 0.00 S ATOM 131 CE MET A 1 -2.083 -9.088 -32.644 1.00 0.00 C ATOM 0 H1 MET A 1 -3.928 -3.543 -31.687 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.703 -3.116 -30.059 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.591 -4.142 -30.829 1.00 0.00 H new ATOM 0 HA MET A 1 -5.081 -5.330 -31.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.507 -5.891 -29.692 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.898 -6.871 -29.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.135 -7.721 -31.472 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.269 -6.380 -32.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.245 -9.773 -32.777 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.992 -9.659 -32.452 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.212 -8.493 -33.548 1.00 0.00 H new ATOM 141 N GLU A 2 -5.830 -5.671 -28.515 1.00 0.00 N ATOM 142 CA GLU A 2 -6.590 -5.405 -27.313 1.00 0.00 C ATOM 143 C GLU A 2 -6.238 -6.477 -26.313 1.00 0.00 C ATOM 144 O GLU A 2 -5.521 -7.411 -26.619 1.00 0.00 O ATOM 145 CB GLU A 2 -8.081 -5.478 -27.648 1.00 0.00 C ATOM 146 CG GLU A 2 -8.791 -4.205 -27.181 1.00 0.00 C ATOM 147 CD GLU A 2 -10.099 -4.038 -27.952 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.041 -3.956 -29.168 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.139 -3.991 -27.315 1.00 0.00 O ATOM 0 H GLU A 2 -5.866 -6.635 -28.846 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.364 -4.418 -26.908 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.214 -5.604 -28.723 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.527 -6.349 -27.167 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.992 -4.260 -26.111 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.149 -3.339 -27.341 1.00 0.00 H new ATOM 156 N ALA A 3 -6.742 -6.356 -25.145 1.00 0.00 N ATOM 157 CA ALA A 3 -6.469 -7.374 -24.104 1.00 0.00 C ATOM 158 C ALA A 3 -7.606 -7.404 -23.101 1.00 0.00 C ATOM 159 O ALA A 3 -7.861 -6.454 -22.398 1.00 0.00 O ATOM 160 CB ALA A 3 -5.181 -7.061 -23.406 1.00 0.00 C ATOM 0 H ALA A 3 -7.343 -5.587 -24.850 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.386 -8.352 -24.578 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.988 -7.815 -22.642 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.366 -7.061 -24.130 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.250 -6.079 -22.937 1.00 0.00 H new ATOM 166 N ILE A 4 -8.295 -8.495 -23.046 1.00 0.00 N ATOM 167 CA ILE A 4 -9.449 -8.630 -22.122 1.00 0.00 C ATOM 168 C ILE A 4 -9.035 -8.451 -20.689 1.00 0.00 C ATOM 169 O ILE A 4 -8.289 -9.233 -20.148 1.00 0.00 O ATOM 170 CB ILE A 4 -10.068 -10.007 -22.283 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.182 -10.209 -21.232 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.008 -11.086 -22.111 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.366 -10.832 -21.888 1.00 0.00 C ATOM 0 H ILE A 4 -8.106 -9.321 -23.614 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.170 -7.852 -22.374 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.494 -10.082 -23.284 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.824 -10.844 -20.422 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.458 -9.252 -20.789 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.466 -12.068 -22.229 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.230 -10.955 -22.864 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.568 -11.008 -21.117 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.156 -10.977 -21.151 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.727 -10.179 -22.683 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.083 -11.796 -22.311 1.00 0.00 H new ATOM 185 N ALA A 5 -9.592 -7.467 -20.061 1.00 0.00 N ATOM 186 CA ALA A 5 -9.311 -7.259 -18.605 1.00 0.00 C ATOM 187 C ALA A 5 -10.019 -8.392 -17.850 1.00 0.00 C ATOM 188 O ALA A 5 -11.234 -8.465 -17.833 1.00 0.00 O ATOM 189 CB ALA A 5 -9.874 -5.917 -18.134 1.00 0.00 C ATOM 0 H ALA A 5 -10.231 -6.792 -20.482 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.236 -7.259 -18.423 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.660 -5.785 -17.074 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.412 -5.109 -18.701 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.952 -5.900 -18.291 1.00 0.00 H new ATOM 195 N LYS A 6 -9.278 -9.290 -17.260 1.00 0.00 N ATOM 196 CA LYS A 6 -9.910 -10.437 -16.544 1.00 0.00 C ATOM 197 C LYS A 6 -10.587 -9.967 -15.253 1.00 0.00 C ATOM 198 O LYS A 6 -11.509 -10.598 -14.768 1.00 0.00 O ATOM 199 CB LYS A 6 -8.836 -11.458 -16.183 1.00 0.00 C ATOM 200 CG LYS A 6 -8.093 -11.886 -17.442 1.00 0.00 C ATOM 201 CD LYS A 6 -6.743 -12.493 -17.061 1.00 0.00 C ATOM 202 CE LYS A 6 -6.959 -13.772 -16.246 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.696 -14.563 -16.216 1.00 0.00 N ATOM 0 H LYS A 6 -8.258 -9.279 -17.242 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.659 -10.881 -17.200 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.138 -11.028 -15.465 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.291 -12.325 -15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.686 -12.613 -17.997 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.945 -11.028 -18.098 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.168 -12.717 -17.960 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.162 -11.776 -16.481 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.267 -13.521 -15.231 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.761 -14.365 -16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.843 -15.431 -15.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.420 -14.814 -17.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.942 -13.997 -15.777 1.00 0.00 H new ATOM 217 N TYR A 7 -10.124 -8.881 -14.674 1.00 0.00 N ATOM 218 CA TYR A 7 -10.734 -8.401 -13.387 1.00 0.00 C ATOM 219 C TYR A 7 -10.680 -6.890 -13.314 1.00 0.00 C ATOM 220 O TYR A 7 -10.352 -6.213 -14.271 1.00 0.00 O ATOM 221 CB TYR A 7 -9.966 -8.981 -12.184 1.00 0.00 C ATOM 222 CG TYR A 7 -9.579 -10.417 -12.440 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.533 -11.432 -12.346 1.00 0.00 C ATOM 224 CD2 TYR A 7 -8.262 -10.722 -12.780 1.00 0.00 C ATOM 225 CE1 TYR A 7 -10.166 -12.760 -12.592 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.889 -12.043 -13.028 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.840 -13.067 -12.934 1.00 0.00 C ATOM 228 OH TYR A 7 -8.475 -14.375 -13.179 1.00 0.00 O ATOM 0 H TYR A 7 -9.358 -8.311 -15.032 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.771 -8.735 -13.357 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.072 -8.386 -11.996 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.584 -8.920 -11.288 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.553 -11.193 -12.084 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.528 -9.933 -12.852 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.902 -13.547 -12.519 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.868 -12.276 -13.292 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.242 -14.867 -13.540 1.00 0.00 H new ATOM 238 N ASP A 8 -11.026 -6.364 -12.178 1.00 0.00 N ATOM 239 CA ASP A 8 -11.036 -4.899 -11.995 1.00 0.00 C ATOM 240 C ASP A 8 -9.688 -4.414 -11.422 1.00 0.00 C ATOM 241 O ASP A 8 -8.898 -5.185 -10.920 1.00 0.00 O ATOM 242 CB ASP A 8 -12.198 -4.554 -11.061 1.00 0.00 C ATOM 243 CG ASP A 8 -11.909 -5.032 -9.626 1.00 0.00 C ATOM 244 OD1 ASP A 8 -12.077 -6.213 -9.371 1.00 0.00 O ATOM 245 OD2 ASP A 8 -11.527 -4.206 -8.814 1.00 0.00 O ATOM 0 H ASP A 8 -11.307 -6.900 -11.357 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.171 -4.394 -12.952 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.364 -3.477 -11.063 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.114 -5.019 -11.426 1.00 0.00 H new ATOM 250 N PHE A 9 -9.437 -3.133 -11.507 1.00 0.00 N ATOM 251 CA PHE A 9 -8.156 -2.558 -10.991 1.00 0.00 C ATOM 252 C PHE A 9 -8.115 -1.056 -11.295 1.00 0.00 C ATOM 253 O PHE A 9 -9.045 -0.495 -11.841 1.00 0.00 O ATOM 254 CB PHE A 9 -6.959 -3.255 -11.678 1.00 0.00 C ATOM 255 CG PHE A 9 -5.932 -3.662 -10.641 1.00 0.00 C ATOM 256 CD1 PHE A 9 -6.333 -4.357 -9.495 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.583 -3.347 -10.831 1.00 0.00 C ATOM 258 CE1 PHE A 9 -5.385 -4.737 -8.537 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.633 -3.725 -9.874 1.00 0.00 C ATOM 260 CZ PHE A 9 -4.034 -4.421 -8.726 1.00 0.00 C ATOM 0 H PHE A 9 -10.074 -2.450 -11.918 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.096 -2.716 -9.914 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.303 -4.133 -12.225 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.506 -2.583 -12.407 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.375 -4.601 -9.349 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.273 -2.812 -11.716 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.696 -5.274 -7.653 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.591 -3.480 -10.021 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.302 -4.713 -7.988 1.00 0.00 H new ATOM 270 N LYS A 10 -7.043 -0.405 -10.940 1.00 0.00 N ATOM 271 CA LYS A 10 -6.932 1.068 -11.202 1.00 0.00 C ATOM 272 C LYS A 10 -5.518 1.423 -11.591 1.00 0.00 C ATOM 273 O LYS A 10 -4.592 0.652 -11.408 1.00 0.00 O ATOM 274 CB LYS A 10 -7.333 1.844 -9.938 1.00 0.00 C ATOM 275 CG LYS A 10 -8.763 2.372 -10.087 1.00 0.00 C ATOM 276 CD LYS A 10 -9.401 2.521 -8.703 1.00 0.00 C ATOM 277 CE LYS A 10 -8.647 3.586 -7.900 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.003 3.469 -6.457 1.00 0.00 N ATOM 0 H LYS A 10 -6.235 -0.824 -10.479 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.599 1.336 -12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.264 1.196 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.644 2.673 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.755 3.333 -10.601 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.352 1.689 -10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.449 2.802 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.375 1.568 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.572 3.462 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.900 4.580 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.491 4.192 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.027 3.608 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.740 2.524 -6.110 1.00 0.00 H new ATOM 292 N ALA A 11 -5.346 2.599 -12.138 1.00 0.00 N ATOM 293 CA ALA A 11 -4.003 3.036 -12.555 1.00 0.00 C ATOM 294 C ALA A 11 -3.126 3.173 -11.305 1.00 0.00 C ATOM 295 O ALA A 11 -3.550 3.729 -10.306 1.00 0.00 O ATOM 296 CB ALA A 11 -4.093 4.382 -13.266 1.00 0.00 C ATOM 0 H ALA A 11 -6.092 3.273 -12.310 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.571 2.305 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.096 4.699 -13.572 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.729 4.287 -14.146 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.518 5.123 -12.589 1.00 0.00 H new ATOM 302 N THR A 12 -1.923 2.667 -11.342 1.00 0.00 N ATOM 303 CA THR A 12 -1.034 2.763 -10.142 1.00 0.00 C ATOM 304 C THR A 12 0.180 3.636 -10.462 1.00 0.00 C ATOM 305 O THR A 12 1.288 3.357 -10.042 1.00 0.00 O ATOM 306 CB THR A 12 -0.577 1.361 -9.732 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.320 0.585 -10.894 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.676 0.694 -8.906 1.00 0.00 C ATOM 0 H THR A 12 -1.516 2.192 -12.148 1.00 0.00 H new ATOM 0 HA THR A 12 -1.586 3.216 -9.319 1.00 0.00 H new ATOM 0 HB THR A 12 0.334 1.434 -9.138 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.522 0.876 -11.302 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.354 -0.305 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.873 1.289 -8.014 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.586 0.622 -9.502 1.00 0.00 H new ATOM 316 N ALA A 13 -0.029 4.697 -11.195 1.00 0.00 N ATOM 317 CA ALA A 13 1.095 5.617 -11.549 1.00 0.00 C ATOM 318 C ALA A 13 0.572 6.738 -12.408 1.00 0.00 C ATOM 319 O ALA A 13 -0.518 6.680 -12.949 1.00 0.00 O ATOM 320 CB ALA A 13 2.187 4.867 -12.314 1.00 0.00 C ATOM 0 H ALA A 13 -0.939 4.969 -11.568 1.00 0.00 H new ATOM 0 HA ALA A 13 1.521 6.016 -10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.995 5.555 -12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.575 4.059 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.769 4.452 -13.231 1.00 0.00 H new ATOM 326 N ASP A 14 1.348 7.757 -12.527 1.00 0.00 N ATOM 327 CA ASP A 14 0.955 8.926 -13.333 1.00 0.00 C ATOM 328 C ASP A 14 0.809 8.539 -14.811 1.00 0.00 C ATOM 329 O ASP A 14 0.227 9.271 -15.591 1.00 0.00 O ATOM 330 CB ASP A 14 2.038 9.962 -13.166 1.00 0.00 C ATOM 331 CG ASP A 14 1.490 11.352 -13.496 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.599 11.799 -12.791 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.973 11.947 -14.446 1.00 0.00 O ATOM 0 H ASP A 14 2.265 7.833 -12.087 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.008 9.314 -13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.415 9.944 -12.143 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.879 9.729 -13.819 1.00 0.00 H new ATOM 338 N ASP A 15 1.328 7.395 -15.203 1.00 0.00 N ATOM 339 CA ASP A 15 1.219 6.966 -16.600 1.00 0.00 C ATOM 340 C ASP A 15 0.636 5.551 -16.657 1.00 0.00 C ATOM 341 O ASP A 15 0.994 4.760 -17.515 1.00 0.00 O ATOM 342 CB ASP A 15 2.608 6.983 -17.249 1.00 0.00 C ATOM 343 CG ASP A 15 2.504 7.520 -18.679 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.648 7.047 -19.407 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.284 8.395 -19.020 1.00 0.00 O ATOM 0 H ASP A 15 1.825 6.747 -14.592 1.00 0.00 H new ATOM 0 HA ASP A 15 0.561 7.646 -17.141 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.285 7.606 -16.665 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.028 5.977 -17.258 1.00 0.00 H new ATOM 350 N GLU A 16 -0.262 5.221 -15.751 1.00 0.00 N ATOM 351 CA GLU A 16 -0.863 3.863 -15.758 1.00 0.00 C ATOM 352 C GLU A 16 -2.316 3.958 -16.220 1.00 0.00 C ATOM 353 O GLU A 16 -2.822 5.036 -16.476 1.00 0.00 O ATOM 354 CB GLU A 16 -0.781 3.268 -14.353 1.00 0.00 C ATOM 355 CG GLU A 16 -0.806 1.739 -14.439 1.00 0.00 C ATOM 356 CD GLU A 16 0.349 1.143 -13.619 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.825 1.813 -12.715 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.739 0.027 -13.912 1.00 0.00 O ATOM 0 H GLU A 16 -0.597 5.840 -15.013 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.319 3.215 -16.445 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.133 3.599 -13.860 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.616 3.622 -13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.759 1.362 -14.067 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.723 1.424 -15.479 1.00 0.00 H new ATOM 365 N LEU A 17 -2.980 2.838 -16.365 1.00 0.00 N ATOM 366 CA LEU A 17 -4.394 2.865 -16.856 1.00 0.00 C ATOM 367 C LEU A 17 -5.355 2.176 -15.881 1.00 0.00 C ATOM 368 O LEU A 17 -5.152 1.046 -15.478 1.00 0.00 O ATOM 369 CB LEU A 17 -4.457 2.145 -18.209 1.00 0.00 C ATOM 370 CG LEU A 17 -5.441 2.844 -19.146 1.00 0.00 C ATOM 371 CD1 LEU A 17 -5.349 2.206 -20.535 1.00 0.00 C ATOM 372 CD2 LEU A 17 -6.868 2.686 -18.614 1.00 0.00 C ATOM 0 H LEU A 17 -2.607 1.910 -16.166 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.701 3.907 -16.947 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.466 2.125 -18.663 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.761 1.109 -18.062 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.194 3.904 -19.204 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.049 2.700 -21.209 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.335 2.316 -20.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.598 1.147 -20.466 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.565 3.187 -19.287 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.119 1.627 -18.554 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.938 3.132 -17.622 1.00 0.00 H new ATOM 384 N SER A 18 -6.423 2.856 -15.531 1.00 0.00 N ATOM 385 CA SER A 18 -7.428 2.296 -14.637 1.00 0.00 C ATOM 386 C SER A 18 -8.422 1.477 -15.471 1.00 0.00 C ATOM 387 O SER A 18 -8.546 1.685 -16.665 1.00 0.00 O ATOM 388 CB SER A 18 -8.148 3.460 -14.001 1.00 0.00 C ATOM 389 OG SER A 18 -8.677 4.298 -15.020 1.00 0.00 O ATOM 0 H SER A 18 -6.625 3.803 -15.850 1.00 0.00 H new ATOM 0 HA SER A 18 -6.979 1.655 -13.878 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.951 3.099 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.463 4.025 -13.369 1.00 0.00 H new ATOM 0 HG SER A 18 -9.147 5.054 -14.610 1.00 0.00 H new ATOM 395 N PHE A 19 -9.136 0.558 -14.863 1.00 0.00 N ATOM 396 CA PHE A 19 -10.122 -0.255 -15.645 1.00 0.00 C ATOM 397 C PHE A 19 -10.922 -1.152 -14.702 1.00 0.00 C ATOM 398 O PHE A 19 -10.663 -1.209 -13.526 1.00 0.00 O ATOM 399 CB PHE A 19 -9.376 -1.118 -16.672 1.00 0.00 C ATOM 400 CG PHE A 19 -8.365 -1.992 -15.967 1.00 0.00 C ATOM 401 CD1 PHE A 19 -7.060 -1.528 -15.761 1.00 0.00 C ATOM 402 CD2 PHE A 19 -8.735 -3.265 -15.522 1.00 0.00 C ATOM 403 CE1 PHE A 19 -6.124 -2.341 -15.109 1.00 0.00 C ATOM 404 CE2 PHE A 19 -7.800 -4.077 -14.870 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.495 -3.615 -14.664 1.00 0.00 C ATOM 0 H PHE A 19 -9.080 0.337 -13.869 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.807 0.415 -16.164 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.084 -1.737 -17.223 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.875 -0.481 -17.401 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.775 -0.544 -16.104 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.742 -3.621 -15.681 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.117 -1.985 -14.950 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.085 -5.060 -14.526 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.774 -4.242 -14.161 1.00 0.00 H new ATOM 415 N LYS A 20 -11.901 -1.840 -15.220 1.00 0.00 N ATOM 416 CA LYS A 20 -12.736 -2.733 -14.368 1.00 0.00 C ATOM 417 C LYS A 20 -12.738 -4.136 -14.942 1.00 0.00 C ATOM 418 O LYS A 20 -12.109 -4.415 -15.948 1.00 0.00 O ATOM 419 CB LYS A 20 -14.164 -2.215 -14.358 1.00 0.00 C ATOM 420 CG LYS A 20 -14.170 -0.768 -13.901 1.00 0.00 C ATOM 421 CD LYS A 20 -13.914 -0.702 -12.394 1.00 0.00 C ATOM 422 CE LYS A 20 -14.696 0.469 -11.796 1.00 0.00 C ATOM 423 NZ LYS A 20 -14.280 1.736 -12.464 1.00 0.00 N ATOM 0 H LYS A 20 -12.161 -1.822 -16.206 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.328 -2.749 -13.357 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.599 -2.295 -15.354 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.778 -2.821 -13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.404 -0.205 -14.435 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.128 -0.306 -14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.218 -1.636 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.848 -0.579 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.766 0.310 -11.927 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.512 0.533 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.593 2.548 -11.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.244 1.756 -12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.712 1.789 -13.409 1.00 0.00 H new ATOM 437 N ARG A 21 -13.455 -5.019 -14.311 1.00 0.00 N ATOM 438 CA ARG A 21 -13.538 -6.413 -14.795 1.00 0.00 C ATOM 439 C ARG A 21 -14.367 -6.448 -16.077 1.00 0.00 C ATOM 440 O ARG A 21 -15.541 -6.124 -16.076 1.00 0.00 O ATOM 441 CB ARG A 21 -14.211 -7.241 -13.726 1.00 0.00 C ATOM 442 CG ARG A 21 -14.230 -8.704 -14.128 1.00 0.00 C ATOM 443 CD ARG A 21 -14.543 -9.523 -12.890 1.00 0.00 C ATOM 444 NE ARG A 21 -15.156 -10.828 -13.285 1.00 0.00 N ATOM 445 CZ ARG A 21 -16.289 -10.852 -13.939 1.00 0.00 C ATOM 446 NH1 ARG A 21 -17.268 -10.069 -13.578 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.438 -11.656 -14.956 1.00 0.00 N ATOM 0 H ARG A 21 -13.994 -4.826 -13.467 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.544 -6.810 -15.004 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.683 -7.124 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.230 -6.887 -13.569 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.979 -8.878 -14.900 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.267 -8.997 -14.546 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.631 -9.698 -12.319 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.225 -8.972 -12.242 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.690 -11.702 -13.044 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.150 -9.438 -12.786 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.151 -10.088 -14.088 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.671 -12.266 -15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.321 -11.675 -15.466 1.00 0.00 H new ATOM 461 N GLY A 22 -13.760 -6.827 -17.167 1.00 0.00 N ATOM 462 CA GLY A 22 -14.499 -6.874 -18.463 1.00 0.00 C ATOM 463 C GLY A 22 -14.154 -5.635 -19.308 1.00 0.00 C ATOM 464 O GLY A 22 -14.713 -5.431 -20.371 1.00 0.00 O ATOM 0 H GLY A 22 -12.781 -7.107 -17.218 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.237 -7.781 -19.008 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.573 -6.912 -18.278 1.00 0.00 H new ATOM 468 N ASP A 23 -13.231 -4.807 -18.849 1.00 0.00 N ATOM 469 CA ASP A 23 -12.850 -3.623 -19.603 1.00 0.00 C ATOM 470 C ASP A 23 -11.619 -3.956 -20.416 1.00 0.00 C ATOM 471 O ASP A 23 -10.504 -3.906 -19.921 1.00 0.00 O ATOM 472 CB ASP A 23 -12.538 -2.481 -18.638 1.00 0.00 C ATOM 473 CG ASP A 23 -13.315 -1.223 -19.042 1.00 0.00 C ATOM 474 OD1 ASP A 23 -13.526 -1.037 -20.229 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.684 -0.469 -18.158 1.00 0.00 O ATOM 0 H ASP A 23 -12.735 -4.930 -17.966 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.663 -3.315 -20.261 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.803 -2.771 -17.621 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.468 -2.274 -18.641 1.00 0.00 H new ATOM 480 N ILE A 24 -11.807 -4.305 -21.641 1.00 0.00 N ATOM 481 CA ILE A 24 -10.649 -4.660 -22.497 1.00 0.00 C ATOM 482 C ILE A 24 -9.864 -3.391 -22.802 1.00 0.00 C ATOM 483 O ILE A 24 -10.427 -2.334 -23.017 1.00 0.00 O ATOM 484 CB ILE A 24 -11.118 -5.344 -23.790 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.249 -6.358 -23.454 1.00 0.00 C ATOM 486 CG2 ILE A 24 -9.914 -6.076 -24.402 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.548 -7.257 -24.653 1.00 0.00 C ATOM 0 H ILE A 24 -12.718 -4.362 -22.097 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.006 -5.367 -21.973 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.506 -4.611 -24.497 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.954 -6.969 -22.601 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.151 -5.820 -23.164 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.220 -6.572 -25.323 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.124 -5.357 -24.621 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.543 -6.819 -23.696 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.342 -7.957 -24.394 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.866 -6.644 -25.497 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.650 -7.811 -24.925 1.00 0.00 H new ATOM 499 N LEU A 25 -8.567 -3.488 -22.788 1.00 0.00 N ATOM 500 CA LEU A 25 -7.713 -2.294 -23.036 1.00 0.00 C ATOM 501 C LEU A 25 -7.256 -2.273 -24.486 1.00 0.00 C ATOM 502 O LEU A 25 -7.221 -3.297 -25.149 1.00 0.00 O ATOM 503 CB LEU A 25 -6.472 -2.338 -22.115 1.00 0.00 C ATOM 504 CG LEU A 25 -6.858 -2.588 -20.621 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.069 -1.742 -20.217 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.177 -4.073 -20.395 1.00 0.00 C ATOM 0 H LEU A 25 -8.055 -4.353 -22.613 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.295 -1.397 -22.826 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.799 -3.126 -22.452 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.927 -1.397 -22.196 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.007 -2.300 -20.004 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.316 -1.935 -19.173 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.833 -0.685 -20.344 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.921 -2.002 -20.846 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.444 -4.233 -19.350 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.011 -4.367 -21.032 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.302 -4.675 -20.642 1.00 0.00 H new ATOM 518 N LYS A 26 -6.892 -1.110 -24.982 1.00 0.00 N ATOM 519 CA LYS A 26 -6.421 -1.017 -26.411 1.00 0.00 C ATOM 520 C LYS A 26 -4.900 -0.879 -26.425 1.00 0.00 C ATOM 521 O LYS A 26 -4.373 0.205 -26.326 1.00 0.00 O ATOM 522 CB LYS A 26 -7.051 0.209 -27.078 1.00 0.00 C ATOM 523 CG LYS A 26 -6.884 0.112 -28.597 1.00 0.00 C ATOM 524 CD LYS A 26 -8.152 -0.478 -29.215 1.00 0.00 C ATOM 525 CE LYS A 26 -7.962 -0.626 -30.726 1.00 0.00 C ATOM 526 NZ LYS A 26 -7.110 -1.817 -31.003 1.00 0.00 N ATOM 0 H LYS A 26 -6.899 -0.229 -24.468 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.715 -1.914 -26.955 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.109 0.271 -26.822 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.579 1.119 -26.708 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.689 1.099 -29.015 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.024 -0.513 -28.839 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.370 -1.448 -28.768 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.005 0.167 -29.007 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.929 -0.735 -31.216 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.497 0.271 -31.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.118 -2.020 -32.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.135 -1.626 -30.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.482 -2.638 -30.484 1.00 0.00 H new ATOM 540 N VAL A 27 -4.186 -1.976 -26.533 1.00 0.00 N ATOM 541 CA VAL A 27 -2.690 -1.908 -26.518 1.00 0.00 C ATOM 542 C VAL A 27 -2.172 -0.962 -27.605 1.00 0.00 C ATOM 543 O VAL A 27 -2.205 -1.266 -28.782 1.00 0.00 O ATOM 544 CB VAL A 27 -2.103 -3.307 -26.727 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.583 -3.252 -26.524 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.720 -4.280 -25.708 1.00 0.00 C ATOM 0 H VAL A 27 -4.575 -2.914 -26.631 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.376 -1.522 -25.548 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.327 -3.651 -27.737 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.160 -4.246 -26.672 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.145 -2.560 -27.243 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.363 -2.911 -25.512 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.302 -5.276 -25.857 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.495 -3.939 -24.697 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.801 -4.315 -25.847 1.00 0.00 H new ATOM 556 N LEU A 28 -1.668 0.177 -27.199 1.00 0.00 N ATOM 557 CA LEU A 28 -1.111 1.153 -28.179 1.00 0.00 C ATOM 558 C LEU A 28 0.369 0.847 -28.354 1.00 0.00 C ATOM 559 O LEU A 28 0.939 1.071 -29.407 1.00 0.00 O ATOM 560 CB LEU A 28 -1.228 2.617 -27.672 1.00 0.00 C ATOM 561 CG LEU A 28 -2.498 2.839 -26.817 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.098 3.393 -25.434 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.427 3.844 -27.524 1.00 0.00 C ATOM 0 H LEU A 28 -1.619 0.472 -26.224 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.672 1.060 -29.109 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.346 2.867 -27.082 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.243 3.295 -28.525 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.020 1.890 -26.691 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.993 3.549 -24.832 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.443 2.681 -24.932 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.575 4.341 -25.559 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.321 3.999 -26.921 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.906 4.793 -27.652 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.712 3.452 -28.500 1.00 0.00 H new ATOM 575 N ASN A 29 1.007 0.347 -27.313 1.00 0.00 N ATOM 576 CA ASN A 29 2.464 0.045 -27.416 1.00 0.00 C ATOM 577 C ASN A 29 2.858 -1.032 -26.406 1.00 0.00 C ATOM 578 O ASN A 29 2.329 -1.093 -25.312 1.00 0.00 O ATOM 579 CB ASN A 29 3.265 1.319 -27.135 1.00 0.00 C ATOM 580 CG ASN A 29 4.622 1.235 -27.836 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.455 0.424 -27.478 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.884 2.044 -28.825 1.00 0.00 N ATOM 0 H ASN A 29 0.581 0.140 -26.410 1.00 0.00 H new ATOM 0 HA ASN A 29 2.679 -0.318 -28.421 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.715 2.192 -27.487 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.406 1.443 -26.061 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.787 1.996 -29.298 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.186 2.724 -29.126 1.00 0.00 H new ATOM 673 N TRP A 36 3.314 -5.661 -17.993 1.00 0.00 N ATOM 674 CA TRP A 36 2.281 -4.586 -18.159 1.00 0.00 C ATOM 675 C TRP A 36 2.403 -4.019 -19.587 1.00 0.00 C ATOM 676 O TRP A 36 3.489 -3.922 -20.127 1.00 0.00 O ATOM 677 CB TRP A 36 2.485 -3.444 -17.132 1.00 0.00 C ATOM 678 CG TRP A 36 2.612 -3.967 -15.708 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.523 -4.882 -15.277 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.843 -3.580 -14.514 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.354 -5.080 -13.917 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.345 -4.303 -13.401 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.773 -2.686 -14.284 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.817 -4.143 -12.115 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.244 -2.525 -12.984 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.769 -3.250 -11.906 1.00 0.00 C ATOM 0 HA TRP A 36 1.292 -5.013 -17.991 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.381 -2.880 -17.391 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.645 -2.752 -17.189 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.259 -5.374 -15.896 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.914 -5.728 -13.362 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.357 -2.123 -15.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.220 -4.709 -11.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.572 -1.837 -12.820 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.362 -3.117 -10.915 1.00 0.00 H new ATOM 697 N TYR A 37 1.298 -3.660 -20.209 1.00 0.00 N ATOM 698 CA TYR A 37 1.358 -3.120 -21.609 1.00 0.00 C ATOM 699 C TYR A 37 0.771 -1.717 -21.675 1.00 0.00 C ATOM 700 O TYR A 37 -0.198 -1.412 -21.012 1.00 0.00 O ATOM 701 CB TYR A 37 0.501 -3.967 -22.553 1.00 0.00 C ATOM 702 CG TYR A 37 0.612 -5.439 -22.269 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.859 -6.065 -22.234 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.556 -6.178 -22.069 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.938 -7.440 -21.996 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.487 -7.546 -21.838 1.00 0.00 C ATOM 707 CZ TYR A 37 0.765 -8.186 -21.799 1.00 0.00 C ATOM 708 OH TYR A 37 0.844 -9.544 -21.579 1.00 0.00 O ATOM 0 H TYR A 37 0.362 -3.718 -19.808 1.00 0.00 H new ATOM 0 HA TYR A 37 2.409 -3.129 -21.899 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.541 -3.661 -22.464 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.803 -3.775 -23.583 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.759 -5.489 -22.390 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.516 -5.684 -22.094 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.901 -7.928 -21.964 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.392 -8.116 -21.689 1.00 0.00 H new ATOM 0 HH TYR A 37 1.767 -9.786 -21.355 1.00 0.00 H new ATOM 718 N LYS A 38 1.297 -0.885 -22.539 1.00 0.00 N ATOM 719 CA LYS A 38 0.708 0.467 -22.708 1.00 0.00 C ATOM 720 C LYS A 38 -0.586 0.286 -23.507 1.00 0.00 C ATOM 721 O LYS A 38 -0.623 -0.475 -24.458 1.00 0.00 O ATOM 722 CB LYS A 38 1.668 1.370 -23.474 1.00 0.00 C ATOM 723 CG LYS A 38 1.082 2.779 -23.547 1.00 0.00 C ATOM 724 CD LYS A 38 1.407 3.409 -24.908 1.00 0.00 C ATOM 725 CE LYS A 38 2.136 4.736 -24.695 1.00 0.00 C ATOM 726 NZ LYS A 38 1.983 5.588 -25.907 1.00 0.00 N ATOM 0 H LYS A 38 2.104 -1.087 -23.129 1.00 0.00 H new ATOM 0 HA LYS A 38 0.515 0.931 -21.741 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.639 1.392 -22.979 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.831 0.979 -24.478 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.002 2.741 -23.402 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.490 3.394 -22.745 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.027 2.732 -25.495 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.490 3.573 -25.473 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.731 5.250 -23.823 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.192 4.555 -24.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.479 6.491 -25.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.389 5.098 -26.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.974 5.771 -26.077 1.00 0.00 H new ATOM 740 N ALA A 39 -1.654 0.939 -23.117 1.00 0.00 N ATOM 741 CA ALA A 39 -2.946 0.751 -23.850 1.00 0.00 C ATOM 742 C ALA A 39 -3.891 1.858 -23.565 1.00 0.00 C ATOM 743 O ALA A 39 -3.528 2.859 -22.989 1.00 0.00 O ATOM 744 CB ALA A 39 -3.543 -0.579 -23.442 1.00 0.00 C ATOM 0 H ALA A 39 -1.688 1.588 -22.331 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.756 0.758 -24.923 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.486 -0.731 -23.968 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.851 -1.382 -23.697 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.722 -0.583 -22.367 1.00 0.00 H new ATOM 750 N GLU A 40 -5.100 1.725 -24.035 1.00 0.00 N ATOM 751 CA GLU A 40 -6.049 2.821 -23.856 1.00 0.00 C ATOM 752 C GLU A 40 -7.512 2.355 -23.797 1.00 0.00 C ATOM 753 O GLU A 40 -7.990 1.577 -24.595 1.00 0.00 O ATOM 754 CB GLU A 40 -5.775 3.826 -24.991 1.00 0.00 C ATOM 755 CG GLU A 40 -6.950 3.955 -25.985 1.00 0.00 C ATOM 756 CD GLU A 40 -6.656 5.072 -26.986 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.280 6.148 -26.551 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.813 4.833 -28.171 1.00 0.00 O ATOM 0 H GLU A 40 -5.456 0.907 -24.529 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.902 3.295 -22.886 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.564 4.804 -24.559 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.881 3.518 -25.533 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.100 3.012 -26.511 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.873 4.170 -25.446 1.00 0.00 H new ATOM 765 N LEU A 41 -8.202 2.899 -22.861 1.00 0.00 N ATOM 766 CA LEU A 41 -9.654 2.596 -22.675 1.00 0.00 C ATOM 767 C LEU A 41 -10.514 3.696 -23.184 1.00 0.00 C ATOM 768 O LEU A 41 -10.822 4.652 -22.503 1.00 0.00 O ATOM 769 CB LEU A 41 -9.983 2.349 -21.217 1.00 0.00 C ATOM 770 CG LEU A 41 -9.831 0.889 -20.944 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.654 0.674 -19.441 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.091 0.178 -21.435 1.00 0.00 C ATOM 0 H LEU A 41 -7.822 3.564 -22.188 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.857 1.692 -23.249 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.319 2.927 -20.574 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.000 2.673 -20.997 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.958 0.489 -21.460 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.543 -0.391 -19.236 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.765 1.204 -19.100 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.528 1.055 -18.913 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.002 -0.892 -21.246 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.959 0.570 -20.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.211 0.348 -22.505 1.00 0.00 H new ATOM 784 N ASN A 42 -10.952 3.517 -24.368 1.00 0.00 N ATOM 785 CA ASN A 42 -11.877 4.483 -25.024 1.00 0.00 C ATOM 786 C ASN A 42 -11.511 5.971 -24.774 1.00 0.00 C ATOM 787 O ASN A 42 -12.364 6.838 -24.875 1.00 0.00 O ATOM 788 CB ASN A 42 -13.262 4.244 -24.469 1.00 0.00 C ATOM 789 CG ASN A 42 -14.000 3.212 -25.326 1.00 0.00 C ATOM 790 OD1 ASN A 42 -14.345 2.148 -24.851 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.258 3.484 -26.575 1.00 0.00 N ATOM 0 H ASN A 42 -10.707 2.713 -24.947 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.811 4.315 -26.099 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.194 3.892 -23.440 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.821 5.179 -24.450 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.750 2.803 -27.154 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.968 4.377 -26.973 1.00 0.00 H new ATOM 798 N GLY A 43 -10.287 6.272 -24.454 1.00 0.00 N ATOM 799 CA GLY A 43 -9.912 7.701 -24.203 1.00 0.00 C ATOM 800 C GLY A 43 -8.742 7.781 -23.220 1.00 0.00 C ATOM 801 O GLY A 43 -7.843 8.587 -23.390 1.00 0.00 O ATOM 0 H GLY A 43 -9.528 5.598 -24.354 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.640 8.182 -25.142 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.769 8.244 -23.803 1.00 0.00 H new ATOM 805 N LYS A 44 -8.728 6.942 -22.202 1.00 0.00 N ATOM 806 CA LYS A 44 -7.625 6.964 -21.248 1.00 0.00 C ATOM 807 C LYS A 44 -6.550 6.075 -21.767 1.00 0.00 C ATOM 808 O LYS A 44 -6.706 5.426 -22.783 1.00 0.00 O ATOM 809 CB LYS A 44 -8.074 6.458 -19.887 1.00 0.00 C ATOM 810 CG LYS A 44 -8.571 7.632 -19.059 1.00 0.00 C ATOM 811 CD LYS A 44 -9.658 7.154 -18.096 1.00 0.00 C ATOM 812 CE LYS A 44 -10.909 6.766 -18.889 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.495 5.521 -18.314 1.00 0.00 N ATOM 0 H LYS A 44 -9.451 6.248 -22.012 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.268 7.987 -21.132 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.866 5.718 -20.003 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.247 5.963 -19.378 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.745 8.073 -18.501 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.966 8.410 -19.712 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.300 6.300 -17.521 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.897 7.941 -17.381 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.640 7.574 -18.855 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.654 6.611 -19.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.345 5.257 -18.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.797 4.752 -18.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.752 5.685 -17.320 1.00 0.00 H new ATOM 827 N ASP A 45 -5.463 6.044 -21.089 1.00 0.00 N ATOM 828 CA ASP A 45 -4.355 5.213 -21.528 1.00 0.00 C ATOM 829 C ASP A 45 -3.314 4.997 -20.412 1.00 0.00 C ATOM 830 O ASP A 45 -3.450 5.482 -19.303 1.00 0.00 O ATOM 831 CB ASP A 45 -3.749 5.891 -22.776 1.00 0.00 C ATOM 832 CG ASP A 45 -2.510 6.758 -22.446 1.00 0.00 C ATOM 833 OD1 ASP A 45 -1.436 6.194 -22.306 1.00 0.00 O ATOM 834 OD2 ASP A 45 -2.666 7.964 -22.343 1.00 0.00 O ATOM 0 H ASP A 45 -5.297 6.572 -20.232 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.706 4.212 -21.779 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.469 5.126 -23.500 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.507 6.515 -23.249 1.00 0.00 H new ATOM 839 N GLY A 46 -2.271 4.277 -20.733 1.00 0.00 N ATOM 840 CA GLY A 46 -1.190 4.012 -19.751 1.00 0.00 C ATOM 841 C GLY A 46 -0.935 2.500 -19.636 1.00 0.00 C ATOM 842 O GLY A 46 -1.674 1.692 -20.158 1.00 0.00 O ATOM 0 H GLY A 46 -2.125 3.857 -21.651 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.276 4.520 -20.060 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.466 4.417 -18.777 1.00 0.00 H new ATOM 846 N PHE A 47 0.120 2.125 -18.954 1.00 0.00 N ATOM 847 CA PHE A 47 0.465 0.673 -18.800 1.00 0.00 C ATOM 848 C PHE A 47 -0.673 -0.074 -18.102 1.00 0.00 C ATOM 849 O PHE A 47 -1.460 0.512 -17.392 1.00 0.00 O ATOM 850 CB PHE A 47 1.736 0.549 -17.957 1.00 0.00 C ATOM 851 CG PHE A 47 2.840 1.367 -18.582 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.437 0.942 -19.774 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.266 2.553 -17.970 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.459 1.703 -20.354 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.289 3.313 -18.551 1.00 0.00 C ATOM 856 CZ PHE A 47 4.884 2.887 -19.743 1.00 0.00 C ATOM 0 H PHE A 47 0.764 2.768 -18.493 1.00 0.00 H new ATOM 0 HA PHE A 47 0.621 0.238 -19.787 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.545 0.893 -16.941 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.038 -0.496 -17.888 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.110 0.028 -20.246 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.805 2.881 -17.050 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.920 1.375 -21.274 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.618 4.227 -18.079 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.672 3.473 -20.192 1.00 0.00 H new ATOM 866 N ILE A 48 -0.756 -1.378 -18.289 1.00 0.00 N ATOM 867 CA ILE A 48 -1.837 -2.162 -17.619 1.00 0.00 C ATOM 868 C ILE A 48 -1.257 -3.525 -17.199 1.00 0.00 C ATOM 869 O ILE A 48 -0.707 -4.206 -18.021 1.00 0.00 O ATOM 870 CB ILE A 48 -3.021 -2.384 -18.585 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.503 -2.704 -20.002 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.889 -1.121 -18.631 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.529 -3.557 -20.754 1.00 0.00 C ATOM 0 H ILE A 48 -0.123 -1.923 -18.874 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.199 -1.614 -16.749 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.615 -3.225 -18.227 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.317 -1.779 -20.548 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.553 -3.234 -19.940 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.725 -1.278 -19.313 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.271 -0.905 -17.633 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.290 -0.280 -18.980 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.155 -3.778 -21.754 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.693 -4.489 -20.213 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.469 -3.011 -20.831 1.00 0.00 H new ATOM 885 N PRO A 49 -1.390 -3.908 -15.934 1.00 0.00 N ATOM 886 CA PRO A 49 -0.849 -5.191 -15.479 1.00 0.00 C ATOM 887 C PRO A 49 -1.581 -6.335 -16.147 1.00 0.00 C ATOM 888 O PRO A 49 -2.728 -6.571 -15.897 1.00 0.00 O ATOM 889 CB PRO A 49 -1.055 -5.183 -13.969 1.00 0.00 C ATOM 890 CG PRO A 49 -2.168 -4.135 -13.696 1.00 0.00 C ATOM 891 CD PRO A 49 -2.106 -3.149 -14.888 1.00 0.00 C ATOM 0 HA PRO A 49 0.203 -5.324 -15.733 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.350 -6.169 -13.610 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.134 -4.918 -13.451 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.147 -4.610 -13.630 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.999 -3.620 -12.751 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.103 -2.856 -15.217 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.576 -2.234 -14.624 1.00 0.00 H new ATOM 899 N LYS A 50 -0.902 -7.019 -17.018 1.00 0.00 N ATOM 900 CA LYS A 50 -1.500 -8.161 -17.772 1.00 0.00 C ATOM 901 C LYS A 50 -2.110 -9.221 -16.822 1.00 0.00 C ATOM 902 O LYS A 50 -2.904 -10.032 -17.244 1.00 0.00 O ATOM 903 CB LYS A 50 -0.378 -8.767 -18.599 1.00 0.00 C ATOM 904 CG LYS A 50 -0.841 -9.988 -19.400 1.00 0.00 C ATOM 905 CD LYS A 50 0.282 -11.036 -19.375 1.00 0.00 C ATOM 906 CE LYS A 50 -0.112 -12.202 -18.460 1.00 0.00 C ATOM 907 NZ LYS A 50 -0.571 -13.352 -19.289 1.00 0.00 N ATOM 0 H LYS A 50 0.074 -6.831 -17.249 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.318 -7.811 -18.402 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.014 -8.014 -19.283 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.441 -9.056 -17.940 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.754 -10.400 -18.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.072 -9.703 -20.427 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.472 -11.402 -20.384 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.207 -10.582 -19.021 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.738 -12.499 -17.846 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.904 -11.892 -17.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.838 -14.143 -18.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.394 -13.064 -19.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.198 -13.653 -19.921 1.00 0.00 H new ATOM 921 N ASN A 51 -1.754 -9.233 -15.554 1.00 0.00 N ATOM 922 CA ASN A 51 -2.323 -10.227 -14.628 1.00 0.00 C ATOM 923 C ASN A 51 -3.845 -10.073 -14.568 1.00 0.00 C ATOM 924 O ASN A 51 -4.577 -11.034 -14.429 1.00 0.00 O ATOM 925 CB ASN A 51 -1.715 -10.010 -13.283 1.00 0.00 C ATOM 926 CG ASN A 51 -0.445 -10.853 -13.138 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.239 -11.493 -12.127 1.00 0.00 O ATOM 928 ND2 ASN A 51 0.421 -10.879 -14.116 1.00 0.00 N ATOM 0 H ASN A 51 -1.088 -8.585 -15.134 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.103 -11.238 -14.971 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.478 -8.955 -13.148 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.430 -10.278 -12.505 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.270 -11.437 -14.030 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.248 -10.341 -14.965 1.00 0.00 H new ATOM 935 N TYR A 52 -4.315 -8.869 -14.718 1.00 0.00 N ATOM 936 CA TYR A 52 -5.778 -8.603 -14.725 1.00 0.00 C ATOM 937 C TYR A 52 -6.192 -8.439 -16.168 1.00 0.00 C ATOM 938 O TYR A 52 -7.029 -7.614 -16.501 1.00 0.00 O ATOM 939 CB TYR A 52 -6.062 -7.290 -13.978 1.00 0.00 C ATOM 940 CG TYR A 52 -5.966 -7.450 -12.518 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.808 -7.943 -11.931 1.00 0.00 C ATOM 942 CD2 TYR A 52 -7.032 -7.052 -11.744 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.729 -8.046 -10.558 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.967 -7.145 -10.377 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.811 -7.647 -9.763 1.00 0.00 C ATOM 946 OH TYR A 52 -5.735 -7.749 -8.383 1.00 0.00 O ATOM 0 H TYR A 52 -3.734 -8.040 -14.839 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.322 -9.415 -14.243 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.356 -6.527 -14.306 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.059 -6.934 -14.238 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.973 -8.244 -12.547 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.924 -6.665 -12.215 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.833 -8.434 -10.096 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.806 -6.832 -9.774 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.446 -6.892 -8.007 1.00 0.00 H new ATOM 956 N ILE A 53 -5.578 -9.195 -17.045 1.00 0.00 N ATOM 957 CA ILE A 53 -5.891 -9.070 -18.478 1.00 0.00 C ATOM 958 C ILE A 53 -5.451 -10.321 -19.244 1.00 0.00 C ATOM 959 O ILE A 53 -4.803 -11.205 -18.721 1.00 0.00 O ATOM 960 CB ILE A 53 -5.149 -7.869 -19.117 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.596 -6.909 -18.063 1.00 0.00 C ATOM 962 CG2 ILE A 53 -6.083 -7.094 -20.040 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.759 -5.847 -18.741 1.00 0.00 C ATOM 0 H ILE A 53 -4.871 -9.894 -16.816 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.970 -8.930 -18.545 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.315 -8.282 -19.684 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.414 -6.446 -17.512 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.993 -7.455 -17.338 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.545 -6.254 -20.480 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.440 -7.752 -20.833 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.933 -6.721 -19.468 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.364 -5.162 -17.991 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.933 -6.319 -19.272 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.377 -5.294 -19.449 1.00 0.00 H new ATOM 975 N GLU A 54 -5.749 -10.334 -20.511 1.00 0.00 N ATOM 976 CA GLU A 54 -5.336 -11.415 -21.395 1.00 0.00 C ATOM 977 C GLU A 54 -5.137 -10.797 -22.775 1.00 0.00 C ATOM 978 O GLU A 54 -5.666 -9.738 -23.065 1.00 0.00 O ATOM 979 CB GLU A 54 -6.378 -12.509 -21.445 1.00 0.00 C ATOM 980 CG GLU A 54 -5.817 -13.795 -20.823 1.00 0.00 C ATOM 981 CD GLU A 54 -6.960 -14.776 -20.557 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.666 -15.102 -21.497 1.00 0.00 O ATOM 983 OE2 GLU A 54 -7.109 -15.186 -19.417 1.00 0.00 O ATOM 0 H GLU A 54 -6.286 -9.600 -20.973 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.417 -11.877 -21.034 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.273 -12.195 -20.908 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.675 -12.694 -22.478 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.085 -14.246 -21.493 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.298 -13.565 -19.893 1.00 0.00 H new ATOM 990 N MET A 55 -4.357 -11.421 -23.597 1.00 0.00 N ATOM 991 CA MET A 55 -4.052 -10.841 -24.951 1.00 0.00 C ATOM 992 C MET A 55 -5.046 -11.274 -26.025 1.00 0.00 C ATOM 993 O MET A 55 -5.010 -12.394 -26.503 1.00 0.00 O ATOM 994 CB MET A 55 -2.649 -11.286 -25.368 1.00 0.00 C ATOM 995 CG MET A 55 -1.998 -10.197 -26.221 1.00 0.00 C ATOM 996 SD MET A 55 -0.541 -10.872 -27.051 1.00 0.00 S ATOM 997 CE MET A 55 -1.229 -10.907 -28.724 1.00 0.00 C ATOM 0 H MET A 55 -3.907 -12.315 -23.401 1.00 0.00 H new ATOM 0 HA MET A 55 -4.123 -9.757 -24.865 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.041 -11.482 -24.485 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.704 -12.218 -25.930 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.709 -9.824 -26.958 1.00 0.00 H new ATOM 0 HG3 MET A 55 -1.714 -9.351 -25.595 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.452 -11.197 -29.431 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.045 -11.628 -28.767 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.605 -9.917 -28.984 1.00 0.00 H new ATOM 1007 N LYS A 56 -5.919 -10.374 -26.436 1.00 0.00 N ATOM 1008 CA LYS A 56 -6.878 -10.684 -27.481 1.00 0.00 C ATOM 1009 C LYS A 56 -6.522 -9.973 -28.787 1.00 0.00 C ATOM 1010 O LYS A 56 -5.887 -8.920 -28.780 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.242 -10.263 -27.032 1.00 0.00 C ATOM 1012 CG LYS A 56 -8.906 -11.424 -26.318 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.434 -11.318 -26.445 1.00 0.00 C ATOM 1014 CE LYS A 56 -10.932 -10.021 -25.794 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.161 -10.303 -24.992 1.00 0.00 N ATOM 0 H LYS A 56 -5.985 -9.426 -26.065 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.858 -11.758 -27.666 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.171 -9.403 -26.366 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.842 -9.955 -27.888 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.563 -12.367 -26.743 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.620 -11.426 -25.266 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.721 -11.339 -27.496 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.906 -12.177 -25.968 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.156 -9.602 -25.154 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.148 -9.277 -26.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.178 -9.686 -24.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.004 -10.121 -25.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.157 -11.298 -24.689 1.00 0.00 H new