USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 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+ -118:sc= 0.124 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= 0.119 (180deg=0.0401) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.944 USER MOD Single : A 18 SER OG : rot 180:sc= 0.225 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot -15:sc= -3.01 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.046) 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= -0.226 X(o=-0.23,f=-0.026) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 164:sc= -0.0661 (180deg=-0.414) USER MOD ----------------------------------------------------------------- ATOM 124 N MET A 1 -4.048 -3.909 -31.247 1.00 0.00 N ATOM 125 CA MET A 1 -5.014 -4.973 -30.865 1.00 0.00 C ATOM 126 C MET A 1 -5.681 -4.602 -29.567 1.00 0.00 C ATOM 127 O MET A 1 -5.494 -3.512 -29.052 1.00 0.00 O ATOM 128 CB MET A 1 -4.282 -6.306 -30.701 1.00 0.00 C ATOM 129 CG MET A 1 -4.274 -7.040 -32.031 1.00 0.00 C ATOM 130 SD MET A 1 -2.948 -8.273 -32.038 1.00 0.00 S ATOM 131 CE MET A 1 -3.244 -8.916 -33.703 1.00 0.00 C ATOM 0 H1 MET A 1 -4.336 -3.487 -32.153 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.033 -3.173 -30.512 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.098 -4.321 -31.344 1.00 0.00 H new ATOM 0 HA MET A 1 -5.767 -5.072 -31.647 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.261 -6.134 -30.361 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.773 -6.913 -29.940 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.236 -7.525 -32.196 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.130 -6.332 -32.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.524 -9.704 -33.922 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.254 -9.321 -33.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.133 -8.111 -34.429 1.00 0.00 H new ATOM 141 N GLU A 2 -6.456 -5.497 -29.025 1.00 0.00 N ATOM 142 CA GLU A 2 -7.134 -5.218 -27.770 1.00 0.00 C ATOM 143 C GLU A 2 -6.612 -6.190 -26.748 1.00 0.00 C ATOM 144 O GLU A 2 -5.765 -7.015 -27.038 1.00 0.00 O ATOM 145 CB GLU A 2 -8.641 -5.425 -27.963 1.00 0.00 C ATOM 146 CG GLU A 2 -9.408 -4.249 -27.355 1.00 0.00 C ATOM 147 CD GLU A 2 -10.889 -4.312 -27.759 1.00 0.00 C ATOM 148 OE1 GLU A 2 -11.327 -5.361 -28.213 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.563 -3.306 -27.605 1.00 0.00 O ATOM 0 H GLU A 2 -6.640 -6.420 -29.419 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.956 -4.193 -27.444 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.872 -5.512 -29.025 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.953 -6.357 -27.491 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.319 -4.271 -26.269 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.972 -3.309 -27.692 1.00 0.00 H new ATOM 156 N ALA A 3 -7.106 -6.101 -25.571 1.00 0.00 N ATOM 157 CA ALA A 3 -6.666 -7.025 -24.502 1.00 0.00 C ATOM 158 C ALA A 3 -7.699 -7.065 -23.385 1.00 0.00 C ATOM 159 O ALA A 3 -7.950 -6.094 -22.705 1.00 0.00 O ATOM 160 CB ALA A 3 -5.345 -6.578 -23.980 1.00 0.00 C ATOM 0 H ALA A 3 -7.809 -5.418 -25.288 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.566 -8.032 -24.908 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.017 -7.256 -23.192 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.614 -6.581 -24.789 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.436 -5.569 -23.576 1.00 0.00 H new ATOM 166 N ILE A 4 -8.312 -8.192 -23.223 1.00 0.00 N ATOM 167 CA ILE A 4 -9.376 -8.362 -22.196 1.00 0.00 C ATOM 168 C ILE A 4 -8.851 -8.184 -20.794 1.00 0.00 C ATOM 169 O ILE A 4 -8.014 -8.922 -20.337 1.00 0.00 O ATOM 170 CB ILE A 4 -9.971 -9.754 -22.329 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.014 -9.992 -21.216 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.873 -10.807 -22.229 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.238 -10.605 -21.818 1.00 0.00 C ATOM 0 H ILE A 4 -8.119 -9.030 -23.772 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.130 -7.594 -22.367 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.456 -9.833 -23.302 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.603 -10.648 -20.449 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.266 -9.050 -20.728 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.311 -11.800 -22.326 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.146 -10.652 -23.027 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.375 -10.723 -21.263 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.980 -10.777 -21.038 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.650 -9.932 -22.569 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.977 -11.554 -22.286 1.00 0.00 H new ATOM 185 N ALA A 5 -9.417 -7.252 -20.099 1.00 0.00 N ATOM 186 CA ALA A 5 -9.031 -7.045 -18.659 1.00 0.00 C ATOM 187 C ALA A 5 -9.711 -8.142 -17.824 1.00 0.00 C ATOM 188 O ALA A 5 -10.888 -8.062 -17.520 1.00 0.00 O ATOM 189 CB ALA A 5 -9.505 -5.683 -18.162 1.00 0.00 C ATOM 0 H ALA A 5 -10.132 -6.616 -20.452 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.946 -7.090 -18.565 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.215 -5.555 -17.119 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.049 -4.897 -18.764 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.590 -5.622 -18.247 1.00 0.00 H new ATOM 195 N LYS A 6 -8.984 -9.171 -17.472 1.00 0.00 N ATOM 196 CA LYS A 6 -9.574 -10.293 -16.680 1.00 0.00 C ATOM 197 C LYS A 6 -10.140 -9.776 -15.353 1.00 0.00 C ATOM 198 O LYS A 6 -11.092 -10.324 -14.825 1.00 0.00 O ATOM 199 CB LYS A 6 -8.485 -11.325 -16.371 1.00 0.00 C ATOM 200 CG LYS A 6 -7.874 -11.846 -17.663 1.00 0.00 C ATOM 201 CD LYS A 6 -6.470 -12.387 -17.374 1.00 0.00 C ATOM 202 CE LYS A 6 -6.579 -13.737 -16.661 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.242 -14.126 -16.127 1.00 0.00 N ATOM 0 H LYS A 6 -7.997 -9.283 -17.702 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.375 -10.744 -17.265 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.711 -10.873 -15.750 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.908 -12.152 -15.801 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.500 -12.632 -18.084 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.824 -11.048 -18.403 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.913 -12.499 -18.304 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.917 -11.681 -16.755 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.303 -13.674 -15.848 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.942 -14.497 -17.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.359 -14.860 -15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.653 -14.495 -16.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.780 -13.294 -15.707 1.00 0.00 H new ATOM 217 N TYR A 7 -9.558 -8.735 -14.802 1.00 0.00 N ATOM 218 CA TYR A 7 -10.066 -8.198 -13.492 1.00 0.00 C ATOM 219 C TYR A 7 -10.020 -6.690 -13.498 1.00 0.00 C ATOM 220 O TYR A 7 -9.717 -6.065 -14.497 1.00 0.00 O ATOM 221 CB TYR A 7 -9.212 -8.705 -12.319 1.00 0.00 C ATOM 222 CG TYR A 7 -9.035 -10.197 -12.399 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.160 -10.728 -13.333 1.00 0.00 C ATOM 224 CD2 TYR A 7 -9.732 -11.042 -11.530 1.00 0.00 C ATOM 225 CE1 TYR A 7 -7.967 -12.107 -13.417 1.00 0.00 C ATOM 226 CE2 TYR A 7 -9.548 -12.427 -11.607 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.663 -12.961 -12.554 1.00 0.00 C ATOM 228 OH TYR A 7 -8.476 -14.327 -12.633 1.00 0.00 O ATOM 0 H TYR A 7 -8.760 -8.236 -15.197 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.092 -8.545 -13.368 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.238 -8.216 -12.334 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.687 -8.440 -11.375 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.624 -10.070 -14.001 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.411 -10.626 -10.800 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.282 -12.514 -14.146 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -10.086 -13.083 -10.939 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.034 -14.773 -11.962 1.00 0.00 H new ATOM 238 N ASP A 8 -10.344 -6.103 -12.385 1.00 0.00 N ATOM 239 CA ASP A 8 -10.355 -4.639 -12.284 1.00 0.00 C ATOM 240 C ASP A 8 -9.050 -4.156 -11.614 1.00 0.00 C ATOM 241 O ASP A 8 -8.345 -4.925 -10.987 1.00 0.00 O ATOM 242 CB ASP A 8 -11.594 -4.236 -11.476 1.00 0.00 C ATOM 243 CG ASP A 8 -11.420 -4.581 -9.985 1.00 0.00 C ATOM 244 OD1 ASP A 8 -10.663 -5.491 -9.691 1.00 0.00 O ATOM 245 OD2 ASP A 8 -12.048 -3.927 -9.168 1.00 0.00 O ATOM 0 H ASP A 8 -10.605 -6.593 -11.530 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.404 -4.173 -13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.772 -3.166 -11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.472 -4.748 -11.871 1.00 0.00 H new ATOM 250 N PHE A 9 -8.736 -2.890 -11.750 1.00 0.00 N ATOM 251 CA PHE A 9 -7.497 -2.336 -11.146 1.00 0.00 C ATOM 252 C PHE A 9 -7.339 -0.860 -11.565 1.00 0.00 C ATOM 253 O PHE A 9 -7.114 -0.565 -12.720 1.00 0.00 O ATOM 254 CB PHE A 9 -6.262 -3.126 -11.643 1.00 0.00 C ATOM 255 CG PHE A 9 -5.262 -3.313 -10.512 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.165 -2.361 -9.488 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.430 -4.434 -10.501 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.240 -2.532 -8.454 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.502 -4.610 -9.467 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.407 -3.658 -8.442 1.00 0.00 C ATOM 0 H PHE A 9 -9.299 -2.212 -12.263 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.569 -2.416 -10.061 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.574 -4.098 -12.026 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.791 -2.594 -12.470 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.807 -1.493 -9.498 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.502 -5.167 -11.291 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.168 -1.797 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.860 -5.478 -9.459 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.692 -3.793 -7.644 1.00 0.00 H new ATOM 270 N LYS A 10 -7.448 0.061 -10.636 1.00 0.00 N ATOM 271 CA LYS A 10 -7.299 1.519 -10.984 1.00 0.00 C ATOM 272 C LYS A 10 -5.866 1.821 -11.357 1.00 0.00 C ATOM 273 O LYS A 10 -4.959 1.063 -11.062 1.00 0.00 O ATOM 274 CB LYS A 10 -7.707 2.379 -9.778 1.00 0.00 C ATOM 275 CG LYS A 10 -8.436 3.638 -10.255 1.00 0.00 C ATOM 276 CD LYS A 10 -8.127 4.801 -9.307 1.00 0.00 C ATOM 277 CE LYS A 10 -8.702 4.507 -7.918 1.00 0.00 C ATOM 278 NZ LYS A 10 -9.976 5.262 -7.737 1.00 0.00 N ATOM 0 H LYS A 10 -7.634 -0.130 -9.651 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.943 1.749 -11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.353 1.805 -9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.823 2.656 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.124 3.889 -11.269 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.511 3.458 -10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.049 4.951 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.553 5.724 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.881 3.438 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.985 4.792 -7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.367 5.063 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.791 6.281 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.660 4.969 -8.464 1.00 0.00 H new ATOM 292 N ALA A 11 -5.657 2.936 -12.010 1.00 0.00 N ATOM 293 CA ALA A 11 -4.289 3.310 -12.411 1.00 0.00 C ATOM 294 C ALA A 11 -3.494 3.634 -11.145 1.00 0.00 C ATOM 295 O ALA A 11 -3.957 4.378 -10.297 1.00 0.00 O ATOM 296 CB ALA A 11 -4.321 4.534 -13.316 1.00 0.00 C ATOM 0 H ALA A 11 -6.385 3.598 -12.279 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.826 2.488 -12.956 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.304 4.800 -13.605 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.905 4.311 -14.209 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.777 5.369 -12.783 1.00 0.00 H new ATOM 302 N THR A 12 -2.318 3.085 -10.996 1.00 0.00 N ATOM 303 CA THR A 12 -1.515 3.370 -9.762 1.00 0.00 C ATOM 304 C THR A 12 -0.361 4.311 -10.097 1.00 0.00 C ATOM 305 O THR A 12 -0.229 5.371 -9.512 1.00 0.00 O ATOM 306 CB THR A 12 -0.969 2.060 -9.187 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.545 1.216 -10.249 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.071 1.365 -8.382 1.00 0.00 C ATOM 0 H THR A 12 -1.878 2.456 -11.667 1.00 0.00 H new ATOM 0 HA THR A 12 -2.156 3.847 -9.021 1.00 0.00 H new ATOM 0 HB THR A 12 -0.121 2.270 -8.536 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.194 0.378 -9.881 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.687 0.432 -7.970 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.392 2.015 -7.568 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.919 1.153 -9.033 1.00 0.00 H new ATOM 316 N ALA A 13 0.472 3.940 -11.037 1.00 0.00 N ATOM 317 CA ALA A 13 1.614 4.822 -11.417 1.00 0.00 C ATOM 318 C ALA A 13 1.083 6.100 -12.013 1.00 0.00 C ATOM 319 O ALA A 13 -0.078 6.212 -12.360 1.00 0.00 O ATOM 320 CB ALA A 13 2.499 4.122 -12.446 1.00 0.00 C ATOM 0 H ALA A 13 0.409 3.065 -11.557 1.00 0.00 H new ATOM 0 HA ALA A 13 2.202 5.042 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.329 4.775 -12.716 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.888 3.197 -12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.912 3.894 -13.336 1.00 0.00 H new ATOM 326 N ASP A 14 1.933 7.061 -12.126 1.00 0.00 N ATOM 327 CA ASP A 14 1.536 8.361 -12.691 1.00 0.00 C ATOM 328 C ASP A 14 1.153 8.204 -14.169 1.00 0.00 C ATOM 329 O ASP A 14 0.529 9.074 -14.748 1.00 0.00 O ATOM 330 CB ASP A 14 2.713 9.289 -12.550 1.00 0.00 C ATOM 331 CG ASP A 14 2.232 10.741 -12.537 1.00 0.00 C ATOM 332 OD1 ASP A 14 1.453 11.094 -13.407 1.00 0.00 O ATOM 333 OD2 ASP A 14 2.650 11.476 -11.656 1.00 0.00 O ATOM 0 H ASP A 14 2.911 6.999 -11.844 1.00 0.00 H new ATOM 0 HA ASP A 14 0.668 8.760 -12.166 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.254 9.068 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.410 9.135 -13.374 1.00 0.00 H new ATOM 338 N ASP A 15 1.519 7.096 -14.782 1.00 0.00 N ATOM 339 CA ASP A 15 1.182 6.875 -16.189 1.00 0.00 C ATOM 340 C ASP A 15 0.481 5.523 -16.338 1.00 0.00 C ATOM 341 O ASP A 15 0.586 4.870 -17.363 1.00 0.00 O ATOM 342 CB ASP A 15 2.460 6.891 -17.028 1.00 0.00 C ATOM 343 CG ASP A 15 2.100 6.914 -18.516 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.326 7.774 -18.904 1.00 0.00 O ATOM 345 OD2 ASP A 15 2.606 6.074 -19.241 1.00 0.00 O ATOM 0 H ASP A 15 2.043 6.339 -14.342 1.00 0.00 H new ATOM 0 HA ASP A 15 0.516 7.666 -16.534 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.061 7.765 -16.776 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.065 6.012 -16.804 1.00 0.00 H new ATOM 350 N GLU A 16 -0.248 5.098 -15.324 1.00 0.00 N ATOM 351 CA GLU A 16 -0.963 3.799 -15.416 1.00 0.00 C ATOM 352 C GLU A 16 -2.379 4.065 -15.919 1.00 0.00 C ATOM 353 O GLU A 16 -2.776 5.206 -16.084 1.00 0.00 O ATOM 354 CB GLU A 16 -0.995 3.121 -14.039 1.00 0.00 C ATOM 355 CG GLU A 16 -1.274 1.632 -14.228 1.00 0.00 C ATOM 356 CD GLU A 16 -0.660 0.830 -13.084 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.423 1.183 -12.651 1.00 0.00 O ATOM 358 OE2 GLU A 16 -1.281 -0.132 -12.664 1.00 0.00 O ATOM 0 H GLU A 16 -0.371 5.600 -14.445 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.449 3.132 -16.108 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.044 3.264 -13.526 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.765 3.573 -13.414 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.349 1.458 -14.267 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.862 1.296 -15.179 1.00 0.00 H new ATOM 365 N LEU A 17 -3.133 3.033 -16.194 1.00 0.00 N ATOM 366 CA LEU A 17 -4.508 3.235 -16.721 1.00 0.00 C ATOM 367 C LEU A 17 -5.531 2.538 -15.834 1.00 0.00 C ATOM 368 O LEU A 17 -5.390 1.381 -15.479 1.00 0.00 O ATOM 369 CB LEU A 17 -4.560 2.682 -18.156 1.00 0.00 C ATOM 370 CG LEU A 17 -5.942 2.901 -18.775 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.246 4.409 -18.878 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.967 2.269 -20.185 1.00 0.00 C ATOM 0 H LEU A 17 -2.853 2.060 -16.075 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.753 4.297 -16.726 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.802 3.172 -18.767 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.325 1.618 -18.149 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.699 2.434 -18.145 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.232 4.552 -19.320 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.227 4.853 -17.883 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.494 4.890 -19.504 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.949 2.420 -20.634 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.206 2.739 -20.808 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.764 1.201 -20.109 1.00 0.00 H new ATOM 384 N SER A 18 -6.567 3.253 -15.470 1.00 0.00 N ATOM 385 CA SER A 18 -7.618 2.685 -14.606 1.00 0.00 C ATOM 386 C SER A 18 -8.603 1.886 -15.447 1.00 0.00 C ATOM 387 O SER A 18 -9.290 2.427 -16.296 1.00 0.00 O ATOM 388 CB SER A 18 -8.349 3.808 -13.932 1.00 0.00 C ATOM 389 OG SER A 18 -7.444 4.864 -13.637 1.00 0.00 O ATOM 0 H SER A 18 -6.721 4.223 -15.746 1.00 0.00 H new ATOM 0 HA SER A 18 -7.164 2.029 -13.863 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.149 4.172 -14.577 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.817 3.451 -13.015 1.00 0.00 H new ATOM 0 HG SER A 18 -7.927 5.596 -13.199 1.00 0.00 H new ATOM 395 N PHE A 19 -8.685 0.609 -15.210 1.00 0.00 N ATOM 396 CA PHE A 19 -9.634 -0.233 -15.979 1.00 0.00 C ATOM 397 C PHE A 19 -10.473 -1.049 -15.011 1.00 0.00 C ATOM 398 O PHE A 19 -10.201 -1.099 -13.831 1.00 0.00 O ATOM 399 CB PHE A 19 -8.864 -1.170 -16.922 1.00 0.00 C ATOM 400 CG PHE A 19 -7.908 -2.034 -16.134 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.370 -3.193 -15.503 1.00 0.00 C ATOM 402 CD2 PHE A 19 -6.558 -1.676 -16.043 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.480 -3.998 -14.779 1.00 0.00 C ATOM 404 CE2 PHE A 19 -5.669 -2.477 -15.318 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.129 -3.639 -14.687 1.00 0.00 C ATOM 0 H PHE A 19 -8.132 0.111 -14.513 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.283 0.407 -16.577 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.564 -1.799 -17.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.314 -0.584 -17.658 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.412 -3.468 -15.573 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.202 -0.781 -16.532 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.835 -4.894 -14.292 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.628 -2.199 -15.245 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.442 -4.259 -14.129 1.00 0.00 H new ATOM 415 N LYS A 20 -11.493 -1.675 -15.506 1.00 0.00 N ATOM 416 CA LYS A 20 -12.373 -2.490 -14.641 1.00 0.00 C ATOM 417 C LYS A 20 -12.274 -3.946 -15.058 1.00 0.00 C ATOM 418 O LYS A 20 -11.626 -4.286 -16.032 1.00 0.00 O ATOM 419 CB LYS A 20 -13.815 -2.020 -14.814 1.00 0.00 C ATOM 420 CG LYS A 20 -13.890 -0.502 -14.614 1.00 0.00 C ATOM 421 CD LYS A 20 -14.835 -0.175 -13.455 1.00 0.00 C ATOM 422 CE LYS A 20 -16.291 -0.321 -13.917 1.00 0.00 C ATOM 423 NZ LYS A 20 -17.071 -1.043 -12.873 1.00 0.00 N ATOM 0 H LYS A 20 -11.759 -1.656 -16.491 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.069 -2.383 -13.600 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.177 -2.284 -15.808 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.461 -2.524 -14.095 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.896 -0.104 -14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.242 -0.023 -15.528 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.641 -0.843 -12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.655 0.841 -13.102 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.727 0.661 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.332 -0.867 -14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.058 -1.143 -13.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.659 -1.986 -12.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.041 -0.505 -11.983 1.00 0.00 H new ATOM 437 N ARG A 21 -12.929 -4.799 -14.339 1.00 0.00 N ATOM 438 CA ARG A 21 -12.914 -6.247 -14.678 1.00 0.00 C ATOM 439 C ARG A 21 -13.919 -6.478 -15.814 1.00 0.00 C ATOM 440 O ARG A 21 -15.115 -6.536 -15.603 1.00 0.00 O ATOM 441 CB ARG A 21 -13.286 -7.051 -13.419 1.00 0.00 C ATOM 442 CG ARG A 21 -13.555 -8.526 -13.764 1.00 0.00 C ATOM 443 CD ARG A 21 -15.008 -8.852 -13.434 1.00 0.00 C ATOM 444 NE ARG A 21 -15.128 -10.290 -13.052 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.632 -10.618 -11.892 1.00 0.00 C ATOM 446 NH1 ARG A 21 -16.878 -10.342 -11.621 1.00 0.00 N ATOM 447 NH2 ARG A 21 -14.889 -11.221 -11.004 1.00 0.00 N ATOM 0 H ARG A 21 -13.484 -4.556 -13.518 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.929 -6.574 -15.010 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.478 -6.986 -12.690 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.170 -6.616 -12.954 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.358 -8.708 -14.820 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.885 -9.174 -13.199 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.356 -8.219 -12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.643 -8.640 -14.295 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.817 -11.017 -13.697 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.458 -9.870 -12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.272 -10.598 -10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.915 -11.436 -11.216 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.283 -11.477 -10.099 1.00 0.00 H new ATOM 461 N GLY A 22 -13.426 -6.584 -17.019 1.00 0.00 N ATOM 462 CA GLY A 22 -14.322 -6.784 -18.196 1.00 0.00 C ATOM 463 C GLY A 22 -14.185 -5.586 -19.160 1.00 0.00 C ATOM 464 O GLY A 22 -14.883 -5.502 -20.155 1.00 0.00 O ATOM 0 H GLY A 22 -12.431 -6.540 -17.241 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.062 -7.709 -18.710 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.356 -6.882 -17.866 1.00 0.00 H new ATOM 468 N ASP A 23 -13.286 -4.659 -18.871 1.00 0.00 N ATOM 469 CA ASP A 23 -13.091 -3.507 -19.719 1.00 0.00 C ATOM 470 C ASP A 23 -11.901 -3.771 -20.620 1.00 0.00 C ATOM 471 O ASP A 23 -10.770 -3.539 -20.234 1.00 0.00 O ATOM 472 CB ASP A 23 -12.794 -2.313 -18.830 1.00 0.00 C ATOM 473 CG ASP A 23 -14.044 -1.441 -18.684 1.00 0.00 C ATOM 474 OD1 ASP A 23 -15.120 -2.000 -18.548 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.902 -0.230 -18.707 1.00 0.00 O ATOM 0 H ASP A 23 -12.680 -4.687 -18.051 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.976 -3.313 -20.325 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.462 -2.654 -17.849 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.980 -1.727 -19.256 1.00 0.00 H new ATOM 480 N ILE A 24 -12.132 -4.260 -21.800 1.00 0.00 N ATOM 481 CA ILE A 24 -10.992 -4.547 -22.713 1.00 0.00 C ATOM 482 C ILE A 24 -10.350 -3.226 -23.126 1.00 0.00 C ATOM 483 O ILE A 24 -11.010 -2.211 -23.244 1.00 0.00 O ATOM 484 CB ILE A 24 -11.455 -5.353 -23.933 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.479 -6.437 -23.465 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.214 -6.014 -24.552 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.644 -7.537 -24.515 1.00 0.00 C ATOM 0 H ILE A 24 -13.056 -4.474 -22.174 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.252 -5.157 -22.195 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.940 -4.715 -24.671 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.143 -6.876 -22.525 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.444 -5.969 -23.271 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.509 -6.597 -25.425 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.504 -5.244 -24.853 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.747 -6.671 -23.818 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.363 -8.275 -24.159 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.004 -7.100 -25.446 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.683 -8.021 -24.689 1.00 0.00 H new ATOM 499 N LEU A 25 -9.054 -3.225 -23.280 1.00 0.00 N ATOM 500 CA LEU A 25 -8.326 -1.971 -23.609 1.00 0.00 C ATOM 501 C LEU A 25 -7.728 -2.031 -25.017 1.00 0.00 C ATOM 502 O LEU A 25 -7.616 -3.092 -25.613 1.00 0.00 O ATOM 503 CB LEU A 25 -7.200 -1.809 -22.588 1.00 0.00 C ATOM 504 CG LEU A 25 -7.787 -1.822 -21.169 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.874 -3.265 -20.639 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.883 -1.011 -20.252 1.00 0.00 C ATOM 0 H LEU A 25 -8.463 -4.052 -23.190 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.017 -1.129 -23.576 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.475 -2.615 -22.700 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.667 -0.874 -22.764 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.788 -1.391 -21.194 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.292 -3.258 -19.632 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.515 -3.855 -21.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.877 -3.705 -20.615 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.292 -1.015 -19.242 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.886 -1.452 -20.241 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.822 0.015 -20.615 1.00 0.00 H new ATOM 518 N LYS A 26 -7.307 -0.890 -25.537 1.00 0.00 N ATOM 519 CA LYS A 26 -6.677 -0.868 -26.902 1.00 0.00 C ATOM 520 C LYS A 26 -5.173 -0.782 -26.709 1.00 0.00 C ATOM 521 O LYS A 26 -4.641 0.269 -26.425 1.00 0.00 O ATOM 522 CB LYS A 26 -7.182 0.349 -27.713 1.00 0.00 C ATOM 523 CG LYS A 26 -7.339 -0.050 -29.182 1.00 0.00 C ATOM 524 CD LYS A 26 -8.542 0.678 -29.784 1.00 0.00 C ATOM 525 CE LYS A 26 -9.782 -0.208 -29.672 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.951 0.496 -30.270 1.00 0.00 N ATOM 0 H LYS A 26 -7.373 0.018 -25.076 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.943 -1.768 -27.457 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.136 0.695 -27.315 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.479 1.177 -27.623 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.435 0.200 -29.736 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.475 -1.128 -29.264 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.708 1.621 -29.263 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.348 0.920 -30.829 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.613 -1.155 -30.185 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.981 -0.443 -28.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.795 -0.107 -30.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.116 1.388 -29.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.759 0.698 -31.272 1.00 0.00 H new ATOM 540 N VAL A 27 -4.481 -1.896 -26.827 1.00 0.00 N ATOM 541 CA VAL A 27 -2.996 -1.898 -26.601 1.00 0.00 C ATOM 542 C VAL A 27 -2.311 -0.806 -27.428 1.00 0.00 C ATOM 543 O VAL A 27 -2.260 -0.857 -28.642 1.00 0.00 O ATOM 544 CB VAL A 27 -2.406 -3.271 -26.957 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.961 -3.343 -26.449 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.230 -4.381 -26.284 1.00 0.00 C ATOM 0 H VAL A 27 -4.881 -2.802 -27.070 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.816 -1.693 -25.546 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.430 -3.406 -28.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.536 -4.315 -26.698 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.370 -2.557 -26.920 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.948 -3.208 -25.367 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.808 -5.353 -26.539 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.205 -4.247 -25.202 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.262 -4.331 -26.633 1.00 0.00 H new ATOM 556 N LEU A 28 -1.770 0.169 -26.752 1.00 0.00 N ATOM 557 CA LEU A 28 -1.060 1.275 -27.429 1.00 0.00 C ATOM 558 C LEU A 28 0.374 0.847 -27.673 1.00 0.00 C ATOM 559 O LEU A 28 1.010 1.292 -28.614 1.00 0.00 O ATOM 560 CB LEU A 28 -1.052 2.505 -26.507 1.00 0.00 C ATOM 561 CG LEU A 28 -2.160 3.484 -26.892 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.523 2.789 -26.805 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.125 4.673 -25.920 1.00 0.00 C ATOM 0 H LEU A 28 -1.794 0.241 -25.735 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.554 1.517 -28.370 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.184 2.189 -25.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.084 3.003 -26.567 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.007 3.832 -27.914 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.308 3.493 -27.081 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.542 1.939 -27.487 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.689 2.441 -25.786 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.911 5.381 -26.183 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.283 4.316 -24.902 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.156 5.167 -25.984 1.00 0.00 H new ATOM 575 N ASN A 29 0.906 -0.004 -26.817 1.00 0.00 N ATOM 576 CA ASN A 29 2.324 -0.432 -27.009 1.00 0.00 C ATOM 577 C ASN A 29 2.642 -1.669 -26.172 1.00 0.00 C ATOM 578 O ASN A 29 1.890 -2.057 -25.301 1.00 0.00 O ATOM 579 CB ASN A 29 3.250 0.710 -26.588 1.00 0.00 C ATOM 580 CG ASN A 29 4.566 0.611 -27.360 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.577 0.227 -26.810 1.00 0.00 O ATOM 582 ND2 ASN A 29 4.595 0.945 -28.621 1.00 0.00 N ATOM 0 H ASN A 29 0.427 -0.409 -26.013 1.00 0.00 H new ATOM 0 HA ASN A 29 2.474 -0.678 -28.060 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.773 1.670 -26.784 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.441 0.661 -25.516 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.468 0.883 -29.145 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.745 1.268 -29.083 1.00 0.00 H new ATOM 673 N TRP A 36 3.626 -5.903 -17.921 1.00 0.00 N ATOM 674 CA TRP A 36 2.574 -4.836 -18.082 1.00 0.00 C ATOM 675 C TRP A 36 2.701 -4.233 -19.489 1.00 0.00 C ATOM 676 O TRP A 36 3.792 -4.011 -19.981 1.00 0.00 O ATOM 677 CB TRP A 36 2.742 -3.690 -17.058 1.00 0.00 C ATOM 678 CG TRP A 36 2.900 -4.199 -15.645 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.841 -5.088 -15.228 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.141 -3.822 -14.442 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.700 -5.282 -13.868 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.681 -4.527 -13.339 1.00 0.00 C ATOM 683 CE3 TRP A 36 1.044 -2.948 -14.191 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.178 -4.377 -12.051 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.543 -2.803 -12.879 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.113 -3.513 -11.817 1.00 0.00 C ATOM 0 HA TRP A 36 1.602 -5.302 -17.921 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.613 -3.092 -17.326 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.875 -3.031 -17.109 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.578 -5.564 -15.858 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.285 -5.913 -13.320 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.596 -2.397 -15.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.614 -4.931 -11.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.288 -2.138 -12.694 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.727 -3.391 -10.816 1.00 0.00 H new ATOM 697 N TYR A 37 1.595 -3.959 -20.130 1.00 0.00 N ATOM 698 CA TYR A 37 1.633 -3.359 -21.500 1.00 0.00 C ATOM 699 C TYR A 37 1.182 -1.887 -21.423 1.00 0.00 C ATOM 700 O TYR A 37 1.127 -1.311 -20.378 1.00 0.00 O ATOM 701 CB TYR A 37 0.631 -4.090 -22.419 1.00 0.00 C ATOM 702 CG TYR A 37 0.753 -5.591 -22.351 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.001 -6.215 -22.224 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.409 -6.361 -22.452 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.078 -7.612 -22.194 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.337 -7.749 -22.428 1.00 0.00 C ATOM 707 CZ TYR A 37 0.909 -8.381 -22.298 1.00 0.00 C ATOM 708 OH TYR A 37 0.984 -9.759 -22.280 1.00 0.00 O ATOM 0 H TYR A 37 0.659 -4.126 -19.761 1.00 0.00 H new ATOM 0 HA TYR A 37 2.648 -3.443 -21.889 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.383 -3.801 -22.143 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.787 -3.765 -23.448 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.900 -5.621 -22.150 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.368 -5.875 -22.549 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.037 -8.098 -22.091 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.238 -8.339 -22.509 1.00 0.00 H new ATOM 0 HH TYR A 37 1.911 -10.038 -22.432 1.00 0.00 H new ATOM 718 N LYS A 38 0.805 -1.325 -22.551 1.00 0.00 N ATOM 719 CA LYS A 38 0.266 0.058 -22.626 1.00 0.00 C ATOM 720 C LYS A 38 -1.091 -0.113 -23.302 1.00 0.00 C ATOM 721 O LYS A 38 -1.273 -1.069 -24.045 1.00 0.00 O ATOM 722 CB LYS A 38 1.178 0.927 -23.476 1.00 0.00 C ATOM 723 CG LYS A 38 0.647 2.352 -23.475 1.00 0.00 C ATOM 724 CD LYS A 38 1.361 3.157 -24.553 1.00 0.00 C ATOM 725 CE LYS A 38 2.534 3.919 -23.928 1.00 0.00 C ATOM 726 NZ LYS A 38 2.960 5.014 -24.844 1.00 0.00 N ATOM 0 H LYS A 38 0.855 -1.796 -23.454 1.00 0.00 H new ATOM 0 HA LYS A 38 0.191 0.540 -21.651 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.194 0.904 -23.082 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.222 0.542 -24.495 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.428 2.352 -23.657 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.805 2.810 -22.499 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.722 2.493 -25.339 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.667 3.856 -25.020 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.240 4.332 -22.963 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.366 3.240 -23.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.756 5.531 -24.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.256 4.609 -25.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.165 5.667 -24.997 1.00 0.00 H new ATOM 740 N ALA A 39 -2.062 0.734 -23.051 1.00 0.00 N ATOM 741 CA ALA A 39 -3.393 0.495 -23.704 1.00 0.00 C ATOM 742 C ALA A 39 -4.347 1.636 -23.562 1.00 0.00 C ATOM 743 O ALA A 39 -4.024 2.714 -23.135 1.00 0.00 O ATOM 744 CB ALA A 39 -4.008 -0.767 -23.129 1.00 0.00 C ATOM 0 H ALA A 39 -1.999 1.552 -22.445 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.208 0.388 -24.773 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.975 -0.947 -23.599 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.348 -1.613 -23.321 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.143 -0.649 -22.054 1.00 0.00 H new ATOM 750 N GLU A 40 -5.511 1.394 -24.047 1.00 0.00 N ATOM 751 CA GLU A 40 -6.541 2.405 -24.112 1.00 0.00 C ATOM 752 C GLU A 40 -7.791 1.993 -23.344 1.00 0.00 C ATOM 753 O GLU A 40 -8.057 0.838 -23.101 1.00 0.00 O ATOM 754 CB GLU A 40 -6.878 2.487 -25.579 1.00 0.00 C ATOM 755 CG GLU A 40 -7.264 3.892 -26.015 1.00 0.00 C ATOM 756 CD GLU A 40 -8.768 3.956 -26.301 1.00 0.00 C ATOM 757 OE1 GLU A 40 -9.510 3.259 -25.627 1.00 0.00 O ATOM 758 OE2 GLU A 40 -9.151 4.700 -27.189 1.00 0.00 O ATOM 0 H GLU A 40 -5.793 0.486 -24.417 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.201 3.345 -23.677 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.021 2.152 -26.164 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.699 1.805 -25.798 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.003 4.608 -25.236 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.703 4.172 -26.907 1.00 0.00 H new ATOM 765 N LEU A 41 -8.570 2.958 -23.039 1.00 0.00 N ATOM 766 CA LEU A 41 -9.873 2.738 -22.353 1.00 0.00 C ATOM 767 C LEU A 41 -10.852 3.727 -22.837 1.00 0.00 C ATOM 768 O LEU A 41 -11.012 4.807 -22.308 1.00 0.00 O ATOM 769 CB LEU A 41 -9.762 2.797 -20.850 1.00 0.00 C ATOM 770 CG LEU A 41 -9.488 1.403 -20.363 1.00 0.00 C ATOM 771 CD1 LEU A 41 -8.929 1.443 -18.936 1.00 0.00 C ATOM 772 CD2 LEU A 41 -10.805 0.619 -20.398 1.00 0.00 C ATOM 0 H LEU A 41 -8.363 3.937 -23.238 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.207 1.729 -22.597 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.960 3.472 -20.551 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.683 3.182 -20.412 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.748 0.919 -21.001 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.734 0.427 -18.593 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.001 2.014 -18.925 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.654 1.916 -18.274 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.632 -0.399 -20.048 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.535 1.106 -19.752 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.185 0.592 -21.419 1.00 0.00 H new ATOM 784 N ASN A 42 -11.525 3.336 -23.853 1.00 0.00 N ATOM 785 CA ASN A 42 -12.562 4.184 -24.481 1.00 0.00 C ATOM 786 C ASN A 42 -12.100 5.654 -24.650 1.00 0.00 C ATOM 787 O ASN A 42 -12.920 6.553 -24.726 1.00 0.00 O ATOM 788 CB ASN A 42 -13.788 4.155 -23.608 1.00 0.00 C ATOM 789 CG ASN A 42 -14.708 3.008 -24.036 1.00 0.00 C ATOM 790 OD1 ASN A 42 -15.132 2.216 -23.217 1.00 0.00 O ATOM 791 ND2 ASN A 42 -15.039 2.887 -25.293 1.00 0.00 N ATOM 0 H ASN A 42 -11.401 2.427 -24.299 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.767 3.789 -25.476 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.499 4.030 -22.565 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.319 5.104 -23.680 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.653 2.128 -25.588 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.683 3.551 -25.980 1.00 0.00 H new ATOM 798 N GLY A 43 -10.813 5.901 -24.705 1.00 0.00 N ATOM 799 CA GLY A 43 -10.336 7.317 -24.866 1.00 0.00 C ATOM 800 C GLY A 43 -9.078 7.563 -24.020 1.00 0.00 C ATOM 801 O GLY A 43 -8.109 8.127 -24.500 1.00 0.00 O ATOM 0 H GLY A 43 -10.078 5.196 -24.647 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.120 7.517 -25.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.124 8.008 -24.566 1.00 0.00 H new ATOM 805 N LYS A 44 -9.070 7.131 -22.772 1.00 0.00 N ATOM 806 CA LYS A 44 -7.894 7.319 -21.932 1.00 0.00 C ATOM 807 C LYS A 44 -6.874 6.326 -22.357 1.00 0.00 C ATOM 808 O LYS A 44 -7.062 5.614 -23.313 1.00 0.00 O ATOM 809 CB LYS A 44 -8.255 7.088 -20.471 1.00 0.00 C ATOM 810 CG LYS A 44 -8.689 8.404 -19.849 1.00 0.00 C ATOM 811 CD LYS A 44 -9.602 8.128 -18.651 1.00 0.00 C ATOM 812 CE LYS A 44 -10.914 7.510 -19.138 1.00 0.00 C ATOM 813 NZ LYS A 44 -11.996 7.807 -18.157 1.00 0.00 N ATOM 0 H LYS A 44 -9.850 6.654 -22.320 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.512 8.334 -22.036 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.057 6.354 -20.394 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.399 6.682 -19.932 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.816 8.973 -19.530 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.213 9.011 -20.587 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.108 7.453 -17.952 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.802 9.054 -18.112 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.176 7.911 -20.117 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.800 6.432 -19.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.889 7.387 -18.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.745 7.404 -17.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.110 8.837 -18.067 1.00 0.00 H new ATOM 827 N ASP A 45 -5.803 6.274 -21.669 1.00 0.00 N ATOM 828 CA ASP A 45 -4.748 5.330 -22.024 1.00 0.00 C ATOM 829 C ASP A 45 -3.781 5.138 -20.841 1.00 0.00 C ATOM 830 O ASP A 45 -3.886 5.802 -19.828 1.00 0.00 O ATOM 831 CB ASP A 45 -3.971 5.906 -23.196 1.00 0.00 C ATOM 832 CG ASP A 45 -4.655 5.546 -24.515 1.00 0.00 C ATOM 833 OD1 ASP A 45 -4.617 4.388 -24.881 1.00 0.00 O ATOM 834 OD2 ASP A 45 -5.205 6.440 -25.137 1.00 0.00 O ATOM 0 H ASP A 45 -5.606 6.858 -20.856 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.192 4.368 -22.280 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.902 6.989 -23.098 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.952 5.520 -23.190 1.00 0.00 H new ATOM 839 N GLY A 46 -2.811 4.259 -20.988 1.00 0.00 N ATOM 840 CA GLY A 46 -1.804 4.052 -19.902 1.00 0.00 C ATOM 841 C GLY A 46 -1.443 2.574 -19.734 1.00 0.00 C ATOM 842 O GLY A 46 -2.077 1.695 -20.276 1.00 0.00 O ATOM 0 H GLY A 46 -2.677 3.678 -21.816 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.903 4.622 -20.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.198 4.439 -18.962 1.00 0.00 H new ATOM 846 N PHE A 47 -0.391 2.316 -18.993 1.00 0.00 N ATOM 847 CA PHE A 47 0.086 0.915 -18.790 1.00 0.00 C ATOM 848 C PHE A 47 -0.881 0.094 -17.937 1.00 0.00 C ATOM 849 O PHE A 47 -1.607 0.623 -17.129 1.00 0.00 O ATOM 850 CB PHE A 47 1.445 0.951 -18.089 1.00 0.00 C ATOM 851 CG PHE A 47 2.412 1.791 -18.887 1.00 0.00 C ATOM 852 CD1 PHE A 47 2.680 1.475 -20.224 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.043 2.888 -18.287 1.00 0.00 C ATOM 854 CE1 PHE A 47 3.579 2.254 -20.961 1.00 0.00 C ATOM 855 CE2 PHE A 47 3.943 3.667 -19.025 1.00 0.00 C ATOM 856 CZ PHE A 47 4.211 3.349 -20.362 1.00 0.00 C ATOM 0 H PHE A 47 0.162 3.027 -18.515 1.00 0.00 H new ATOM 0 HA PHE A 47 0.157 0.443 -19.770 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.336 1.362 -17.085 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.834 -0.061 -17.979 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.193 0.630 -20.687 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.836 3.133 -17.256 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.785 2.010 -21.993 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.430 4.513 -18.563 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.906 3.949 -20.931 1.00 0.00 H new ATOM 866 N ILE A 48 -0.878 -1.219 -18.109 1.00 0.00 N ATOM 867 CA ILE A 48 -1.780 -2.082 -17.296 1.00 0.00 C ATOM 868 C ILE A 48 -1.080 -3.445 -17.035 1.00 0.00 C ATOM 869 O ILE A 48 -0.505 -4.001 -17.937 1.00 0.00 O ATOM 870 CB ILE A 48 -3.083 -2.317 -18.064 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.756 -2.830 -19.479 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.857 -1.000 -18.156 1.00 0.00 C ATOM 873 CD1 ILE A 48 -4.049 -3.128 -20.245 1.00 0.00 C ATOM 0 H ILE A 48 -0.289 -1.716 -18.777 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.001 -1.595 -16.346 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.690 -3.058 -17.545 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.169 -2.086 -20.017 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.146 -3.731 -19.415 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.786 -1.162 -18.702 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.084 -0.640 -17.152 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.253 -0.259 -18.679 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.805 -3.490 -21.244 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.620 -3.889 -19.713 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.643 -2.218 -20.324 1.00 0.00 H new ATOM 885 N PRO A 49 -1.162 -3.966 -15.810 1.00 0.00 N ATOM 886 CA PRO A 49 -0.547 -5.262 -15.486 1.00 0.00 C ATOM 887 C PRO A 49 -1.249 -6.395 -16.220 1.00 0.00 C ATOM 888 O PRO A 49 -2.337 -6.767 -15.900 1.00 0.00 O ATOM 889 CB PRO A 49 -0.708 -5.403 -13.970 1.00 0.00 C ATOM 890 CG PRO A 49 -1.850 -4.428 -13.575 1.00 0.00 C ATOM 891 CD PRO A 49 -1.870 -3.342 -14.681 1.00 0.00 C ATOM 0 HA PRO A 49 0.498 -5.309 -15.791 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.957 -6.428 -13.697 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.218 -5.151 -13.453 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.807 -4.947 -13.518 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.668 -3.987 -12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.890 -3.068 -14.952 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.371 -2.430 -14.353 1.00 0.00 H new ATOM 899 N LYS A 50 -0.600 -6.921 -17.210 1.00 0.00 N ATOM 900 CA LYS A 50 -1.143 -8.045 -18.034 1.00 0.00 C ATOM 901 C LYS A 50 -1.727 -9.193 -17.154 1.00 0.00 C ATOM 902 O LYS A 50 -2.504 -9.982 -17.636 1.00 0.00 O ATOM 903 CB LYS A 50 0.032 -8.552 -18.874 1.00 0.00 C ATOM 904 CG LYS A 50 -0.318 -9.808 -19.684 1.00 0.00 C ATOM 905 CD LYS A 50 0.917 -10.708 -19.700 1.00 0.00 C ATOM 906 CE LYS A 50 0.596 -12.034 -20.389 1.00 0.00 C ATOM 907 NZ LYS A 50 1.457 -13.110 -19.819 1.00 0.00 N ATOM 0 H LYS A 50 0.327 -6.609 -17.500 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.971 -7.700 -18.654 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.354 -7.764 -19.554 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.875 -8.771 -18.218 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.165 -10.328 -19.237 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.609 -9.540 -20.700 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.734 -10.208 -20.221 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.255 -10.892 -18.680 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.456 -12.283 -20.250 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.764 -11.949 -21.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.240 -14.013 -20.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.458 -12.872 -19.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.275 -13.196 -18.799 1.00 0.00 H new ATOM 921 N ASN A 51 -1.356 -9.308 -15.890 1.00 0.00 N ATOM 922 CA ASN A 51 -1.896 -10.394 -15.047 1.00 0.00 C ATOM 923 C ASN A 51 -3.419 -10.313 -14.981 1.00 0.00 C ATOM 924 O ASN A 51 -4.105 -11.319 -14.963 1.00 0.00 O ATOM 925 CB ASN A 51 -1.299 -10.267 -13.683 1.00 0.00 C ATOM 926 CG ASN A 51 -0.004 -11.076 -13.600 1.00 0.00 C ATOM 927 OD1 ASN A 51 1.046 -10.537 -13.315 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.035 -12.358 -13.842 1.00 0.00 N ATOM 0 H ASN A 51 -0.699 -8.685 -15.421 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.638 -11.363 -15.474 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.097 -9.219 -13.462 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.007 -10.621 -12.933 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.823 -12.907 -13.792 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.917 -12.811 -14.081 1.00 0.00 H new ATOM 935 N TYR A 52 -3.943 -9.126 -14.994 1.00 0.00 N ATOM 936 CA TYR A 52 -5.414 -8.939 -14.988 1.00 0.00 C ATOM 937 C TYR A 52 -5.826 -8.667 -16.408 1.00 0.00 C ATOM 938 O TYR A 52 -6.683 -7.836 -16.673 1.00 0.00 O ATOM 939 CB TYR A 52 -5.784 -7.706 -14.133 1.00 0.00 C ATOM 940 CG TYR A 52 -5.598 -7.905 -12.669 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.871 -8.975 -12.136 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.161 -6.962 -11.837 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.723 -9.081 -10.762 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.021 -7.061 -10.484 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.300 -8.120 -9.924 1.00 0.00 C ATOM 946 OH TYR A 52 -5.158 -8.217 -8.554 1.00 0.00 O ATOM 0 H TYR A 52 -3.404 -8.260 -15.009 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.909 -9.820 -14.579 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.177 -6.859 -14.454 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.824 -7.443 -14.324 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.429 -9.712 -12.790 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.717 -6.138 -12.259 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.164 -9.903 -10.339 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.469 -6.317 -9.842 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.620 -7.467 -8.123 1.00 0.00 H new ATOM 956 N ILE A 53 -5.188 -9.319 -17.346 1.00 0.00 N ATOM 957 CA ILE A 53 -5.506 -9.054 -18.748 1.00 0.00 C ATOM 958 C ILE A 53 -5.137 -10.229 -19.654 1.00 0.00 C ATOM 959 O ILE A 53 -4.481 -11.173 -19.261 1.00 0.00 O ATOM 960 CB ILE A 53 -4.744 -7.822 -19.264 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.358 -6.860 -18.132 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.620 -7.073 -20.256 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.486 -5.750 -18.689 1.00 0.00 C ATOM 0 H ILE A 53 -4.464 -10.019 -17.185 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.582 -8.886 -18.783 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.827 -8.178 -19.734 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.254 -6.439 -17.676 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.824 -7.398 -17.349 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.085 -6.198 -20.626 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.865 -7.728 -21.092 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.538 -6.755 -19.763 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.211 -5.066 -17.886 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.584 -6.180 -19.125 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.036 -5.206 -19.457 1.00 0.00 H new ATOM 975 N GLU A 54 -5.522 -10.116 -20.893 1.00 0.00 N ATOM 976 CA GLU A 54 -5.206 -11.116 -21.903 1.00 0.00 C ATOM 977 C GLU A 54 -5.185 -10.400 -23.254 1.00 0.00 C ATOM 978 O GLU A 54 -5.674 -9.289 -23.375 1.00 0.00 O ATOM 979 CB GLU A 54 -6.243 -12.220 -21.898 1.00 0.00 C ATOM 980 CG GLU A 54 -5.591 -13.550 -21.502 1.00 0.00 C ATOM 981 CD GLU A 54 -5.102 -14.269 -22.759 1.00 0.00 C ATOM 982 OE1 GLU A 54 -3.978 -14.018 -23.162 1.00 0.00 O ATOM 983 OE2 GLU A 54 -5.859 -15.059 -23.298 1.00 0.00 O ATOM 0 H GLU A 54 -6.067 -9.329 -21.244 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.240 -11.579 -21.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.043 -11.975 -21.199 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.697 -12.308 -22.885 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.756 -13.371 -20.824 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.307 -14.174 -20.968 1.00 0.00 H new ATOM 990 N MET A 55 -4.607 -11.005 -24.250 1.00 0.00 N ATOM 991 CA MET A 55 -4.502 -10.322 -25.586 1.00 0.00 C ATOM 992 C MET A 55 -5.583 -10.775 -26.569 1.00 0.00 C ATOM 993 O MET A 55 -5.577 -11.895 -27.048 1.00 0.00 O ATOM 994 CB MET A 55 -3.127 -10.623 -26.187 1.00 0.00 C ATOM 995 CG MET A 55 -2.633 -9.407 -26.974 1.00 0.00 C ATOM 996 SD MET A 55 -0.880 -9.619 -27.371 1.00 0.00 S ATOM 997 CE MET A 55 -0.417 -7.870 -27.302 1.00 0.00 C ATOM 0 H MET A 55 -4.201 -11.940 -24.207 1.00 0.00 H new ATOM 0 HA MET A 55 -4.640 -9.254 -25.420 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.419 -10.869 -25.396 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.188 -11.492 -26.842 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.213 -9.292 -27.890 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.777 -8.498 -26.389 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.646 -7.766 -27.520 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.995 -7.311 -28.038 1.00 0.00 H new ATOM 0 HE3 MET A 55 -0.623 -7.478 -26.306 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.491 -9.884 -26.902 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.541 -10.197 -27.862 1.00 0.00 C ATOM 1009 C LYS A 56 -7.183 -9.626 -29.238 1.00 0.00 C ATOM 1010 O LYS A 56 -6.375 -8.711 -29.342 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.832 -9.604 -27.381 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.558 -10.624 -26.512 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.800 -9.983 -25.871 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.721 -9.428 -26.963 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.127 -10.528 -27.881 1.00 0.00 N ATOM 0 H LYS A 56 -6.528 -8.937 -26.526 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.644 -11.278 -27.952 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.639 -8.695 -26.811 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.455 -9.322 -28.230 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.853 -11.483 -27.115 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.888 -10.994 -25.736 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.334 -10.722 -25.273 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.499 -9.183 -25.195 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.603 -8.973 -26.512 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.208 -8.645 -27.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.946 -10.225 -28.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.336 -10.760 -28.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.382 -11.368 -27.324 1.00 0.00 H new