USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN :FLIP amide:sc= -0.604 F(o=-1.8,f=-0.59) USER MOD Set 1.2: A 37 GLN : amide:sc= 0.0143 K(o=-0.59,f=-1.4) USER MOD Single : A 15 SER OG : rot 180:sc= -0.167 USER MOD Single : A 19 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.92) USER MOD Single : A 21 MET CE :methyl -176:sc= -0.924 (180deg=-0.943) USER MOD Single : A 23 GLN : amide:sc= -0.254 K(o=-0.25,f=-1) USER MOD Single : A 26 SER OG : rot -83:sc= -0.144 USER MOD Single : A 27 THR OG1 : rot -8:sc= 0.4! USER MOD Single : A 28 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.52) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -132:sc= -1.09 (180deg=-1.31) USER MOD Single : A 32 ASN : amide:sc= -1.96! C(o=-2!,f=-4.3!) USER MOD Single : A 36 SER OG : rot 88:sc= -1.05! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -122:sc= -2.61 USER MOD Single : A 41 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.3!) USER MOD Single : A 43 ASN : amide:sc= -4.1! C(o=-4.1!,f=-11!) USER MOD Single : A 44 ASN : amide:sc= -0.616 K(o=-0.62,f=-2.5) USER MOD Single : A 47 TYR OH : rot 75:sc= -2.68! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -56:sc= -1.13 USER MOD Single : A 52 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.7) USER MOD Single : A 55 THR OG1 : rot -68:sc= -0.0409 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -141:sc= -0.0311 (180deg=-0.53) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 16.340 1.900 1.889 1.00 0.00 N ATOM 161 CA LEU A 14 15.149 2.587 2.372 1.00 0.00 C ATOM 162 C LEU A 14 15.517 3.642 3.416 1.00 0.00 C ATOM 163 O LEU A 14 16.656 3.702 3.878 1.00 0.00 O ATOM 164 CB LEU A 14 14.157 1.572 2.953 1.00 0.00 C ATOM 165 CG LEU A 14 12.790 2.132 3.364 1.00 0.00 C ATOM 166 CD1 LEU A 14 12.136 2.901 2.225 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.875 1.013 3.818 1.00 0.00 C ATOM 0 HA LEU A 14 14.676 3.097 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.999 0.785 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.614 1.105 3.825 1.00 0.00 H new ATOM 0 HG LEU A 14 12.954 2.823 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.169 3.283 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.776 3.734 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.994 2.237 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.909 1.427 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.737 0.303 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.320 0.503 4.672 1.00 0.00 H new ATOM 179 N SER A 15 14.547 4.477 3.768 1.00 0.00 N ATOM 180 CA SER A 15 14.749 5.544 4.739 1.00 0.00 C ATOM 181 C SER A 15 13.432 5.821 5.455 1.00 0.00 C ATOM 182 O SER A 15 12.493 5.053 5.310 1.00 0.00 O ATOM 183 CB SER A 15 15.255 6.795 4.012 1.00 0.00 C ATOM 184 OG SER A 15 15.890 6.454 2.792 1.00 0.00 O ATOM 0 H SER A 15 13.601 4.434 3.389 1.00 0.00 H new ATOM 0 HA SER A 15 15.492 5.251 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 15 14.420 7.468 3.815 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.954 7.333 4.652 1.00 0.00 H new ATOM 0 HG SER A 15 16.202 7.269 2.347 1.00 0.00 H new ATOM 190 N PRO A 16 13.333 6.905 6.247 1.00 0.00 N ATOM 191 CA PRO A 16 12.096 7.238 6.967 1.00 0.00 C ATOM 192 C PRO A 16 10.863 7.184 6.062 1.00 0.00 C ATOM 193 O PRO A 16 9.745 7.007 6.537 1.00 0.00 O ATOM 194 CB PRO A 16 12.354 8.662 7.454 1.00 0.00 C ATOM 195 CG PRO A 16 13.834 8.735 7.607 1.00 0.00 C ATOM 196 CD PRO A 16 14.405 7.881 6.515 1.00 0.00 C ATOM 0 HA PRO A 16 11.880 6.532 7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.991 9.399 6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.846 8.858 8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.185 9.763 7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.143 8.373 8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.644 8.469 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.326 7.390 6.829 1.00 0.00 H new ATOM 204 N GLU A 17 11.080 7.327 4.756 1.00 0.00 N ATOM 205 CA GLU A 17 10.015 7.285 3.764 1.00 0.00 C ATOM 206 C GLU A 17 9.028 6.156 4.047 1.00 0.00 C ATOM 207 O GLU A 17 7.856 6.226 3.681 1.00 0.00 O ATOM 208 CB GLU A 17 10.692 7.120 2.382 1.00 0.00 C ATOM 209 CG GLU A 17 10.259 5.920 1.514 1.00 0.00 C ATOM 210 CD GLU A 17 10.275 6.250 0.035 1.00 0.00 C ATOM 211 OE1 GLU A 17 9.504 7.139 -0.383 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.060 5.621 -0.705 1.00 0.00 O ATOM 0 H GLU A 17 12.007 7.476 4.357 1.00 0.00 H new ATOM 0 HA GLU A 17 9.429 8.203 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.514 8.030 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.768 7.049 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.924 5.077 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.256 5.607 1.804 1.00 0.00 H new ATOM 219 N GLN A 18 9.540 5.105 4.645 1.00 0.00 N ATOM 220 CA GLN A 18 8.763 3.919 4.932 1.00 0.00 C ATOM 221 C GLN A 18 7.611 4.159 5.883 1.00 0.00 C ATOM 222 O GLN A 18 6.504 3.702 5.649 1.00 0.00 O ATOM 223 CB GLN A 18 9.667 2.844 5.505 1.00 0.00 C ATOM 224 CG GLN A 18 9.146 1.464 5.224 1.00 0.00 C ATOM 225 CD GLN A 18 9.668 0.422 6.194 1.00 0.00 C ATOM 226 OE1 GLN A 18 8.881 -0.626 6.416 1.00 0.00 O flip ATOM 227 NE2 GLN A 18 10.761 0.557 6.744 1.00 0.00 N flip ATOM 0 H GLN A 18 10.512 5.047 4.948 1.00 0.00 H new ATOM 0 HA GLN A 18 8.327 3.603 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.666 2.947 5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.760 2.984 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.057 1.478 5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.422 1.178 4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.334 1.377 6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.094 -0.151 7.398 1.00 0.00 H new ATOM 236 N GLN A 19 7.870 4.839 6.961 1.00 0.00 N ATOM 237 CA GLN A 19 6.825 5.094 7.937 1.00 0.00 C ATOM 238 C GLN A 19 6.057 6.357 7.593 1.00 0.00 C ATOM 239 O GLN A 19 4.910 6.529 8.004 1.00 0.00 O ATOM 240 CB GLN A 19 7.405 5.186 9.349 1.00 0.00 C ATOM 241 CG GLN A 19 6.656 4.347 10.371 1.00 0.00 C ATOM 242 CD GLN A 19 6.614 2.877 10.001 1.00 0.00 C ATOM 243 OE1 GLN A 19 5.657 2.406 9.388 1.00 0.00 O ATOM 244 NE2 GLN A 19 7.657 2.143 10.373 1.00 0.00 N ATOM 0 H GLN A 19 8.783 5.228 7.195 1.00 0.00 H new ATOM 0 HA GLN A 19 6.131 4.254 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.448 4.869 9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.395 6.228 9.669 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.131 4.459 11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.637 4.723 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.430 2.575 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.685 1.148 10.151 1.00 0.00 H new ATOM 253 N GLU A 20 6.681 7.228 6.817 1.00 0.00 N ATOM 254 CA GLU A 20 6.036 8.453 6.401 1.00 0.00 C ATOM 255 C GLU A 20 5.030 8.152 5.300 1.00 0.00 C ATOM 256 O GLU A 20 4.100 8.926 5.069 1.00 0.00 O ATOM 257 CB GLU A 20 7.071 9.466 5.909 1.00 0.00 C ATOM 258 CG GLU A 20 7.317 10.607 6.882 1.00 0.00 C ATOM 259 CD GLU A 20 7.631 11.913 6.181 1.00 0.00 C ATOM 260 OE1 GLU A 20 6.864 12.300 5.275 1.00 0.00 O ATOM 261 OE2 GLU A 20 8.644 12.550 6.539 1.00 0.00 O ATOM 0 H GLU A 20 7.631 7.106 6.466 1.00 0.00 H new ATOM 0 HA GLU A 20 5.515 8.885 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.013 8.949 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.739 9.878 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.437 10.739 7.511 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.144 10.345 7.542 1.00 0.00 H new ATOM 268 N MET A 21 5.230 7.031 4.600 1.00 0.00 N ATOM 269 CA MET A 21 4.348 6.662 3.515 1.00 0.00 C ATOM 270 C MET A 21 3.472 5.468 3.849 1.00 0.00 C ATOM 271 O MET A 21 2.258 5.551 3.738 1.00 0.00 O ATOM 272 CB MET A 21 5.190 6.382 2.285 1.00 0.00 C ATOM 273 CG MET A 21 5.726 7.651 1.664 1.00 0.00 C ATOM 274 SD MET A 21 5.951 7.536 -0.116 1.00 0.00 S ATOM 275 CE MET A 21 5.819 9.260 -0.586 1.00 0.00 C ATOM 0 H MET A 21 5.992 6.375 4.772 1.00 0.00 H new ATOM 0 HA MET A 21 3.666 7.492 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.022 5.732 2.556 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.591 5.844 1.550 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.042 8.471 1.884 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.681 7.899 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.866 9.346 -1.672 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.870 9.662 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.640 9.822 -0.141 1.00 0.00 H new ATOM 285 N LEU A 22 4.081 4.361 4.240 1.00 0.00 N ATOM 286 CA LEU A 22 3.327 3.154 4.571 1.00 0.00 C ATOM 287 C LEU A 22 2.157 3.464 5.505 1.00 0.00 C ATOM 288 O LEU A 22 1.023 3.068 5.240 1.00 0.00 O ATOM 289 CB LEU A 22 4.237 2.107 5.219 1.00 0.00 C ATOM 290 CG LEU A 22 3.817 0.656 5.008 1.00 0.00 C ATOM 291 CD1 LEU A 22 4.613 -0.257 5.924 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.326 0.495 5.244 1.00 0.00 C ATOM 0 H LEU A 22 5.092 4.269 4.337 1.00 0.00 H new ATOM 0 HA LEU A 22 2.928 2.755 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.246 2.236 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.282 2.302 6.290 1.00 0.00 H new ATOM 0 HG LEU A 22 4.027 0.375 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.305 -1.290 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.676 -0.157 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.430 0.020 6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.043 -0.546 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.086 0.788 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.777 1.127 4.547 1.00 0.00 H new ATOM 304 N GLN A 23 2.437 4.166 6.601 1.00 0.00 N ATOM 305 CA GLN A 23 1.397 4.510 7.566 1.00 0.00 C ATOM 306 C GLN A 23 0.281 5.316 6.916 1.00 0.00 C ATOM 307 O GLN A 23 -0.892 4.957 7.020 1.00 0.00 O ATOM 308 CB GLN A 23 1.976 5.298 8.740 1.00 0.00 C ATOM 309 CG GLN A 23 0.918 5.754 9.734 1.00 0.00 C ATOM 310 CD GLN A 23 1.102 7.198 10.158 1.00 0.00 C ATOM 311 OE1 GLN A 23 1.527 8.040 9.367 1.00 0.00 O ATOM 312 NE2 GLN A 23 0.781 7.492 11.413 1.00 0.00 N ATOM 0 H GLN A 23 3.368 4.505 6.841 1.00 0.00 H new ATOM 0 HA GLN A 23 0.982 3.572 7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.710 4.680 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.507 6.170 8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.070 5.633 9.289 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.952 5.113 10.615 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.432 6.762 12.035 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.883 8.447 11.755 1.00 0.00 H new ATOM 321 N ALA A 24 0.642 6.404 6.241 1.00 0.00 N ATOM 322 CA ALA A 24 -0.353 7.236 5.581 1.00 0.00 C ATOM 323 C ALA A 24 -0.855 6.575 4.299 1.00 0.00 C ATOM 324 O ALA A 24 -1.750 7.093 3.632 1.00 0.00 O ATOM 325 CB ALA A 24 0.223 8.611 5.282 1.00 0.00 C ATOM 0 H ALA A 24 1.605 6.725 6.139 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.202 7.352 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.532 9.222 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.525 9.089 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.090 8.508 4.629 1.00 0.00 H new ATOM 331 N PHE A 25 -0.281 5.423 3.961 1.00 0.00 N ATOM 332 CA PHE A 25 -0.669 4.700 2.770 1.00 0.00 C ATOM 333 C PHE A 25 -1.725 3.654 3.102 1.00 0.00 C ATOM 334 O PHE A 25 -2.509 3.255 2.247 1.00 0.00 O ATOM 335 CB PHE A 25 0.557 4.032 2.150 1.00 0.00 C ATOM 336 CG PHE A 25 0.283 3.314 0.862 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.514 2.181 0.830 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.845 3.765 -0.315 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.749 1.518 -0.357 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.616 3.104 -1.502 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.184 1.979 -1.522 1.00 0.00 C ATOM 0 H PHE A 25 0.457 4.975 4.503 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.094 5.403 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.320 4.791 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.971 3.323 2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.956 1.813 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.471 4.645 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.376 0.639 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.062 3.466 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.366 1.462 -2.452 1.00 0.00 H new ATOM 351 N SER A 26 -1.741 3.212 4.355 1.00 0.00 N ATOM 352 CA SER A 26 -2.708 2.218 4.790 1.00 0.00 C ATOM 353 C SER A 26 -4.119 2.774 4.655 1.00 0.00 C ATOM 354 O SER A 26 -5.029 2.091 4.187 1.00 0.00 O ATOM 355 CB SER A 26 -2.440 1.808 6.239 1.00 0.00 C ATOM 356 OG SER A 26 -3.120 2.661 7.144 1.00 0.00 O ATOM 0 H SER A 26 -1.098 3.526 5.082 1.00 0.00 H new ATOM 0 HA SER A 26 -2.611 1.335 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.761 0.778 6.394 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.369 1.842 6.438 1.00 0.00 H new ATOM 0 HG SER A 26 -2.592 3.474 7.287 1.00 0.00 H new ATOM 362 N THR A 27 -4.289 4.027 5.068 1.00 0.00 N ATOM 363 CA THR A 27 -5.588 4.689 4.991 1.00 0.00 C ATOM 364 C THR A 27 -6.033 4.903 3.540 1.00 0.00 C ATOM 365 O THR A 27 -7.189 5.240 3.286 1.00 0.00 O ATOM 366 CB THR A 27 -5.537 6.033 5.721 1.00 0.00 C ATOM 367 OG1 THR A 27 -6.698 6.796 5.446 1.00 0.00 O ATOM 368 CG2 THR A 27 -4.336 6.874 5.345 1.00 0.00 C ATOM 0 H THR A 27 -3.544 4.604 5.459 1.00 0.00 H new ATOM 0 HA THR A 27 -6.318 4.038 5.472 1.00 0.00 H new ATOM 0 HB THR A 27 -5.468 5.784 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.222 6.354 4.746 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.362 7.813 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.422 6.333 5.590 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.358 7.083 4.275 1.00 0.00 H new ATOM 376 N GLN A 28 -5.114 4.713 2.589 1.00 0.00 N ATOM 377 CA GLN A 28 -5.425 4.895 1.166 1.00 0.00 C ATOM 378 C GLN A 28 -6.775 4.283 0.807 1.00 0.00 C ATOM 379 O GLN A 28 -7.783 4.984 0.721 1.00 0.00 O ATOM 380 CB GLN A 28 -4.345 4.258 0.278 1.00 0.00 C ATOM 381 CG GLN A 28 -3.093 5.106 0.047 1.00 0.00 C ATOM 382 CD GLN A 28 -3.327 6.604 0.150 1.00 0.00 C ATOM 383 OE1 GLN A 28 -3.476 7.292 -0.860 1.00 0.00 O ATOM 384 NE2 GLN A 28 -3.361 7.114 1.375 1.00 0.00 N ATOM 0 H GLN A 28 -4.151 4.434 2.777 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.459 5.970 0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.043 3.312 0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.788 4.025 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.333 4.818 0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.692 4.879 -0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.233 6.506 2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.516 8.114 1.507 1.00 0.00 H new ATOM 393 N SER A 29 -6.785 2.971 0.599 1.00 0.00 N ATOM 394 CA SER A 29 -8.014 2.275 0.249 1.00 0.00 C ATOM 395 C SER A 29 -8.343 1.195 1.272 1.00 0.00 C ATOM 396 O SER A 29 -8.957 0.180 0.944 1.00 0.00 O ATOM 397 CB SER A 29 -7.940 1.677 -1.159 1.00 0.00 C ATOM 398 OG SER A 29 -9.045 2.093 -1.942 1.00 0.00 O ATOM 0 H SER A 29 -5.961 2.373 0.666 1.00 0.00 H new ATOM 0 HA SER A 29 -8.817 3.012 0.258 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.012 1.984 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.922 0.589 -1.096 1.00 0.00 H new ATOM 0 HG SER A 29 -8.977 1.701 -2.838 1.00 0.00 H new ATOM 404 N GLY A 30 -7.940 1.429 2.518 1.00 0.00 N ATOM 405 CA GLY A 30 -8.211 0.476 3.579 1.00 0.00 C ATOM 406 C GLY A 30 -7.041 -0.445 3.869 1.00 0.00 C ATOM 407 O GLY A 30 -7.030 -1.133 4.889 1.00 0.00 O ATOM 0 H GLY A 30 -7.430 2.262 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.472 1.018 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.079 -0.125 3.306 1.00 0.00 H new ATOM 411 N MET A 31 -6.057 -0.470 2.975 1.00 0.00 N ATOM 412 CA MET A 31 -4.889 -1.329 3.158 1.00 0.00 C ATOM 413 C MET A 31 -4.298 -1.174 4.556 1.00 0.00 C ATOM 414 O MET A 31 -4.430 -0.124 5.185 1.00 0.00 O ATOM 415 CB MET A 31 -3.823 -1.009 2.109 1.00 0.00 C ATOM 416 CG MET A 31 -2.916 -2.185 1.784 1.00 0.00 C ATOM 417 SD MET A 31 -3.759 -3.473 0.847 1.00 0.00 S ATOM 418 CE MET A 31 -2.452 -3.995 -0.261 1.00 0.00 C ATOM 0 H MET A 31 -6.043 0.090 2.122 1.00 0.00 H new ATOM 0 HA MET A 31 -5.217 -2.362 3.037 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.314 -0.676 1.194 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.213 -0.178 2.464 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.057 -1.830 1.215 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.531 -2.609 2.711 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.836 -4.043 -1.280 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.630 -3.280 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.093 -4.980 0.038 1.00 0.00 H new ATOM 428 N ASN A 32 -3.634 -2.225 5.032 1.00 0.00 N ATOM 429 CA ASN A 32 -3.009 -2.206 6.351 1.00 0.00 C ATOM 430 C ASN A 32 -1.700 -1.427 6.307 1.00 0.00 C ATOM 431 O ASN A 32 -1.467 -0.640 5.390 1.00 0.00 O ATOM 432 CB ASN A 32 -2.749 -3.620 6.829 1.00 0.00 C ATOM 433 CG ASN A 32 -3.302 -3.903 8.203 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.105 -3.142 8.742 1.00 0.00 O ATOM 435 ND2 ASN A 32 -2.863 -5.015 8.770 1.00 0.00 N ATOM 0 H ASN A 32 -3.515 -3.101 4.523 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.689 -1.715 7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.187 -4.321 6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.674 -3.801 6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.191 -5.277 9.700 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.197 -5.610 8.278 1.00 0.00 H new ATOM 442 N LEU A 33 -0.842 -1.659 7.293 1.00 0.00 N ATOM 443 CA LEU A 33 0.448 -0.986 7.347 1.00 0.00 C ATOM 444 C LEU A 33 1.590 -1.950 7.015 1.00 0.00 C ATOM 445 O LEU A 33 2.757 -1.646 7.258 1.00 0.00 O ATOM 446 CB LEU A 33 0.669 -0.366 8.727 1.00 0.00 C ATOM 447 CG LEU A 33 0.574 1.162 8.769 1.00 0.00 C ATOM 448 CD1 LEU A 33 -0.707 1.599 9.461 1.00 0.00 C ATOM 449 CD2 LEU A 33 1.788 1.753 9.469 1.00 0.00 C ATOM 0 H LEU A 33 -1.016 -2.305 8.063 1.00 0.00 H new ATOM 0 HA LEU A 33 0.443 -0.194 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.066 -0.780 9.418 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.652 -0.665 9.090 1.00 0.00 H new ATOM 0 HG LEU A 33 0.554 1.533 7.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.757 2.688 9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.566 1.207 8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.718 1.216 10.482 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.703 2.840 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.840 1.374 10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.692 1.470 8.930 1.00 0.00 H new ATOM 461 N GLU A 34 1.248 -3.114 6.459 1.00 0.00 N ATOM 462 CA GLU A 34 2.255 -4.113 6.101 1.00 0.00 C ATOM 463 C GLU A 34 2.078 -4.613 4.667 1.00 0.00 C ATOM 464 O GLU A 34 3.057 -4.934 3.994 1.00 0.00 O ATOM 465 CB GLU A 34 2.211 -5.290 7.077 1.00 0.00 C ATOM 466 CG GLU A 34 0.805 -5.799 7.351 1.00 0.00 C ATOM 467 CD GLU A 34 0.757 -6.784 8.502 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.343 -6.485 9.564 1.00 0.00 O ATOM 469 OE2 GLU A 34 0.132 -7.854 8.343 1.00 0.00 O ATOM 0 H GLU A 34 0.288 -3.386 6.248 1.00 0.00 H new ATOM 0 HA GLU A 34 3.230 -3.629 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.813 -6.106 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.669 -4.988 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.153 -4.954 7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.413 -6.276 6.453 1.00 0.00 H new ATOM 476 N TRP A 35 0.838 -4.650 4.192 1.00 0.00 N ATOM 477 CA TRP A 35 0.569 -5.080 2.824 1.00 0.00 C ATOM 478 C TRP A 35 0.706 -3.880 1.901 1.00 0.00 C ATOM 479 O TRP A 35 1.096 -4.003 0.741 1.00 0.00 O ATOM 480 CB TRP A 35 -0.829 -5.688 2.683 1.00 0.00 C ATOM 481 CG TRP A 35 -1.304 -6.445 3.879 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.633 -5.957 5.102 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.518 -7.837 3.939 1.00 0.00 C ATOM 484 NE1 TRP A 35 -2.054 -6.969 5.919 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.984 -8.143 5.225 1.00 0.00 C ATOM 486 CE3 TRP A 35 -1.358 -8.847 3.017 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.292 -9.437 5.609 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.667 -10.142 3.396 1.00 0.00 C ATOM 489 CH2 TRP A 35 -2.128 -10.426 4.682 1.00 0.00 C ATOM 0 H TRP A 35 0.010 -4.390 4.728 1.00 0.00 H new ATOM 0 HA TRP A 35 1.288 -5.854 2.556 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.538 -4.888 2.471 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.835 -6.356 1.822 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.571 -4.918 5.389 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.367 -6.865 6.884 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.000 -8.634 2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.649 -9.656 6.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.549 -10.946 2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.359 -11.447 4.949 1.00 0.00 H new ATOM 500 N SER A 36 0.391 -2.711 2.452 1.00 0.00 N ATOM 501 CA SER A 36 0.480 -1.459 1.725 1.00 0.00 C ATOM 502 C SER A 36 1.923 -1.190 1.302 1.00 0.00 C ATOM 503 O SER A 36 2.174 -0.616 0.243 1.00 0.00 O ATOM 504 CB SER A 36 -0.058 -0.328 2.608 1.00 0.00 C ATOM 505 OG SER A 36 0.821 0.784 2.641 1.00 0.00 O ATOM 0 H SER A 36 0.068 -2.610 3.414 1.00 0.00 H new ATOM 0 HA SER A 36 -0.123 -1.517 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.032 -0.009 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.210 -0.700 3.621 1.00 0.00 H new ATOM 0 HG SER A 36 0.615 1.386 1.896 1.00 0.00 H new ATOM 511 N GLN A 37 2.869 -1.612 2.140 1.00 0.00 N ATOM 512 CA GLN A 37 4.286 -1.420 1.853 1.00 0.00 C ATOM 513 C GLN A 37 4.661 -2.032 0.507 1.00 0.00 C ATOM 514 O GLN A 37 5.446 -1.458 -0.249 1.00 0.00 O ATOM 515 CB GLN A 37 5.141 -2.041 2.961 1.00 0.00 C ATOM 516 CG GLN A 37 6.630 -2.044 2.653 1.00 0.00 C ATOM 517 CD GLN A 37 7.488 -2.081 3.902 1.00 0.00 C ATOM 518 OE1 GLN A 37 6.999 -2.351 4.999 1.00 0.00 O ATOM 519 NE2 GLN A 37 8.777 -1.806 3.739 1.00 0.00 N ATOM 0 H GLN A 37 2.678 -2.088 3.022 1.00 0.00 H new ATOM 0 HA GLN A 37 4.477 -0.348 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.972 -1.494 3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.812 -3.066 3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.866 -2.907 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.878 -1.155 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.138 -1.588 2.811 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.406 -1.813 4.542 1.00 0.00 H new ATOM 528 N LYS A 38 4.106 -3.204 0.215 1.00 0.00 N ATOM 529 CA LYS A 38 4.393 -3.898 -1.037 1.00 0.00 C ATOM 530 C LYS A 38 4.299 -2.956 -2.230 1.00 0.00 C ATOM 531 O LYS A 38 5.202 -2.906 -3.065 1.00 0.00 O ATOM 532 CB LYS A 38 3.438 -5.078 -1.225 1.00 0.00 C ATOM 533 CG LYS A 38 4.129 -6.355 -1.677 1.00 0.00 C ATOM 534 CD LYS A 38 4.959 -6.964 -0.559 1.00 0.00 C ATOM 535 CE LYS A 38 4.103 -7.801 0.377 1.00 0.00 C ATOM 536 NZ LYS A 38 4.544 -9.224 0.410 1.00 0.00 N ATOM 0 H LYS A 38 3.455 -3.694 0.828 1.00 0.00 H new ATOM 0 HA LYS A 38 5.415 -4.272 -0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.920 -5.268 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.679 -4.807 -1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.382 -7.075 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.770 -6.140 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.747 -7.585 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.449 -6.171 0.006 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.150 -7.383 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.062 -7.751 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.935 -9.761 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.476 -9.631 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.530 -9.274 0.738 1.00 0.00 H new ATOM 550 N CYS A 39 3.208 -2.209 -2.305 1.00 0.00 N ATOM 551 CA CYS A 39 3.011 -1.269 -3.399 1.00 0.00 C ATOM 552 C CYS A 39 4.057 -0.166 -3.349 1.00 0.00 C ATOM 553 O CYS A 39 4.615 0.222 -4.376 1.00 0.00 O ATOM 554 CB CYS A 39 1.609 -0.665 -3.346 1.00 0.00 C ATOM 555 SG CYS A 39 0.345 -1.689 -4.131 1.00 0.00 S ATOM 0 H CYS A 39 2.448 -2.235 -1.625 1.00 0.00 H new ATOM 0 HA CYS A 39 3.120 -1.813 -4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.334 -0.499 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.625 0.311 -3.831 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.238 -1.011 -5.075 1.00 0.00 H new ATOM 561 N LEU A 40 4.325 0.331 -2.149 1.00 0.00 N ATOM 562 CA LEU A 40 5.314 1.384 -1.966 1.00 0.00 C ATOM 563 C LEU A 40 6.726 0.839 -2.030 1.00 0.00 C ATOM 564 O LEU A 40 7.679 1.579 -1.910 1.00 0.00 O ATOM 565 CB LEU A 40 5.104 2.096 -0.641 1.00 0.00 C ATOM 566 CG LEU A 40 3.714 2.675 -0.470 1.00 0.00 C ATOM 567 CD1 LEU A 40 2.977 1.937 0.614 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.802 4.151 -0.167 1.00 0.00 C ATOM 0 H LEU A 40 3.872 0.022 -1.289 1.00 0.00 H new ATOM 0 HA LEU A 40 5.181 2.095 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.298 1.396 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.835 2.899 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 40 3.156 2.554 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.979 2.361 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.895 0.884 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.522 2.031 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.798 4.558 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.368 4.301 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.304 4.662 -0.989 1.00 0.00 H new ATOM 580 N GLN A 41 6.871 -0.452 -2.216 1.00 0.00 N ATOM 581 CA GLN A 41 8.202 -1.028 -2.301 1.00 0.00 C ATOM 582 C GLN A 41 8.479 -1.540 -3.714 1.00 0.00 C ATOM 583 O GLN A 41 9.633 -1.739 -4.095 1.00 0.00 O ATOM 584 CB GLN A 41 8.379 -2.148 -1.274 1.00 0.00 C ATOM 585 CG GLN A 41 8.745 -1.648 0.113 1.00 0.00 C ATOM 586 CD GLN A 41 10.236 -1.714 0.382 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.842 -0.740 0.826 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.836 -2.869 0.115 1.00 0.00 N ATOM 0 H GLN A 41 6.103 -1.117 -2.310 1.00 0.00 H new ATOM 0 HA GLN A 41 8.925 -0.245 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.455 -2.722 -1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.155 -2.830 -1.622 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.404 -0.619 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.218 -2.242 0.860 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.295 -3.652 -0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.838 -2.973 0.277 1.00 0.00 H new ATOM 597 N ASP A 42 7.417 -1.731 -4.495 1.00 0.00 N ATOM 598 CA ASP A 42 7.552 -2.194 -5.870 1.00 0.00 C ATOM 599 C ASP A 42 7.579 -1.001 -6.819 1.00 0.00 C ATOM 600 O ASP A 42 8.195 -1.051 -7.883 1.00 0.00 O ATOM 601 CB ASP A 42 6.398 -3.130 -6.235 1.00 0.00 C ATOM 602 CG ASP A 42 6.705 -4.579 -5.911 1.00 0.00 C ATOM 603 OD1 ASP A 42 7.902 -4.935 -5.856 1.00 0.00 O ATOM 604 OD2 ASP A 42 5.750 -5.359 -5.714 1.00 0.00 O ATOM 0 H ASP A 42 6.455 -1.572 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 42 8.488 -2.745 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.501 -2.823 -5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.180 -3.037 -7.299 1.00 0.00 H new ATOM 609 N ASN A 43 6.913 0.077 -6.413 1.00 0.00 N ATOM 610 CA ASN A 43 6.861 1.299 -7.209 1.00 0.00 C ATOM 611 C ASN A 43 7.854 2.343 -6.689 1.00 0.00 C ATOM 612 O ASN A 43 8.025 3.398 -7.301 1.00 0.00 O ATOM 613 CB ASN A 43 5.446 1.878 -7.200 1.00 0.00 C ATOM 614 CG ASN A 43 4.446 0.971 -7.890 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.899 1.315 -8.938 1.00 0.00 O ATOM 616 ND2 ASN A 43 4.202 -0.196 -7.305 1.00 0.00 N ATOM 0 H ASN A 43 6.400 0.128 -5.533 1.00 0.00 H new ATOM 0 HA ASN A 43 7.138 1.043 -8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.131 2.044 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.451 2.850 -7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.539 -0.848 -7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.678 -0.441 -6.437 1.00 0.00 H new ATOM 623 N ASN A 44 8.514 2.039 -5.562 1.00 0.00 N ATOM 624 CA ASN A 44 9.504 2.935 -4.955 1.00 0.00 C ATOM 625 C ASN A 44 8.864 3.963 -4.024 1.00 0.00 C ATOM 626 O ASN A 44 9.400 5.057 -3.845 1.00 0.00 O ATOM 627 CB ASN A 44 10.338 3.652 -6.023 1.00 0.00 C ATOM 628 CG ASN A 44 11.609 4.255 -5.456 1.00 0.00 C ATOM 629 OD1 ASN A 44 11.866 4.173 -4.255 1.00 0.00 O ATOM 630 ND2 ASN A 44 12.410 4.867 -6.319 1.00 0.00 N ATOM 0 H ASN A 44 8.376 1.168 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 44 10.160 2.303 -4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.595 2.947 -6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.738 4.439 -6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.278 5.293 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.157 4.911 -7.306 1.00 0.00 H new ATOM 637 N TRP A 45 7.734 3.612 -3.411 1.00 0.00 N ATOM 638 CA TRP A 45 7.067 4.517 -2.484 1.00 0.00 C ATOM 639 C TRP A 45 6.538 5.763 -3.185 1.00 0.00 C ATOM 640 O TRP A 45 6.802 6.884 -2.752 1.00 0.00 O ATOM 641 CB TRP A 45 8.026 4.911 -1.348 1.00 0.00 C ATOM 642 CG TRP A 45 8.536 3.725 -0.590 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.605 2.941 -0.922 1.00 0.00 C ATOM 644 CD2 TRP A 45 8.000 3.174 0.625 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.723 1.914 -0.026 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.769 2.049 0.934 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.943 3.505 1.482 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.517 1.266 2.041 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.700 2.726 2.578 1.00 0.00 C ATOM 650 CH2 TRP A 45 7.484 1.617 2.853 1.00 0.00 C ATOM 0 H TRP A 45 7.267 2.715 -3.540 1.00 0.00 H new ATOM 0 HA TRP A 45 6.210 3.989 -2.067 1.00 0.00 H new ATOM 0 HB2 TRP A 45 8.869 5.462 -1.764 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.513 5.584 -0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.259 3.107 -1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.416 1.167 -0.071 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.326 4.368 1.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 9.123 0.398 2.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.885 2.978 3.240 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.271 1.021 3.728 1.00 0.00 H new ATOM 661 N ASP A 46 5.760 5.566 -4.247 1.00 0.00 N ATOM 662 CA ASP A 46 5.173 6.691 -4.959 1.00 0.00 C ATOM 663 C ASP A 46 4.131 7.334 -4.069 1.00 0.00 C ATOM 664 O ASP A 46 4.048 8.556 -3.957 1.00 0.00 O ATOM 665 CB ASP A 46 4.546 6.236 -6.279 1.00 0.00 C ATOM 666 CG ASP A 46 4.830 7.199 -7.415 1.00 0.00 C ATOM 667 OD1 ASP A 46 5.238 8.345 -7.135 1.00 0.00 O ATOM 668 OD2 ASP A 46 4.642 6.807 -8.587 1.00 0.00 O ATOM 0 H ASP A 46 5.525 4.649 -4.627 1.00 0.00 H new ATOM 0 HA ASP A 46 5.952 7.415 -5.200 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.928 5.249 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.468 6.137 -6.151 1.00 0.00 H new ATOM 673 N TYR A 47 3.364 6.474 -3.410 1.00 0.00 N ATOM 674 CA TYR A 47 2.325 6.880 -2.473 1.00 0.00 C ATOM 675 C TYR A 47 0.988 7.135 -3.152 1.00 0.00 C ATOM 676 O TYR A 47 -0.064 7.046 -2.518 1.00 0.00 O ATOM 677 CB TYR A 47 2.739 8.116 -1.679 1.00 0.00 C ATOM 678 CG TYR A 47 1.860 8.352 -0.482 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.632 8.976 -0.636 1.00 0.00 C ATOM 680 CD2 TYR A 47 2.244 7.944 0.793 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.195 9.197 0.441 1.00 0.00 C ATOM 682 CE2 TYR A 47 1.417 8.163 1.880 1.00 0.00 C ATOM 683 CZ TYR A 47 0.200 8.791 1.697 1.00 0.00 C ATOM 684 OH TYR A 47 -0.620 9.020 2.775 1.00 0.00 O ATOM 0 H TYR A 47 3.448 5.463 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 47 2.198 6.041 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.772 8.004 -1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.704 8.990 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.319 9.294 -1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.195 7.453 0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.148 9.686 0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.721 7.845 2.866 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.370 8.389 2.756 1.00 0.00 H new ATOM 694 N THR A 48 1.022 7.450 -4.435 1.00 0.00 N ATOM 695 CA THR A 48 -0.201 7.713 -5.178 1.00 0.00 C ATOM 696 C THR A 48 -0.415 6.638 -6.234 1.00 0.00 C ATOM 697 O THR A 48 -1.469 6.003 -6.290 1.00 0.00 O ATOM 698 CB THR A 48 -0.141 9.092 -5.835 1.00 0.00 C ATOM 699 OG1 THR A 48 0.059 10.103 -4.864 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.395 9.441 -6.609 1.00 0.00 C ATOM 0 H THR A 48 1.878 7.530 -4.983 1.00 0.00 H new ATOM 0 HA THR A 48 -1.040 7.696 -4.482 1.00 0.00 H new ATOM 0 HB THR A 48 0.696 9.043 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.096 10.977 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.287 10.432 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.551 8.707 -7.400 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.252 9.435 -5.935 1.00 0.00 H new ATOM 708 N ARG A 49 0.603 6.431 -7.062 1.00 0.00 N ATOM 709 CA ARG A 49 0.545 5.423 -8.112 1.00 0.00 C ATOM 710 C ARG A 49 0.571 4.028 -7.504 1.00 0.00 C ATOM 711 O ARG A 49 0.034 3.077 -8.073 1.00 0.00 O ATOM 712 CB ARG A 49 1.723 5.594 -9.074 1.00 0.00 C ATOM 713 CG ARG A 49 1.601 4.763 -10.340 1.00 0.00 C ATOM 714 CD ARG A 49 1.936 3.303 -10.084 1.00 0.00 C ATOM 715 NE ARG A 49 2.744 2.731 -11.157 1.00 0.00 N ATOM 716 CZ ARG A 49 2.837 1.426 -11.393 1.00 0.00 C ATOM 717 NH1 ARG A 49 2.176 0.563 -10.633 1.00 0.00 N ATOM 718 NH2 ARG A 49 3.592 0.982 -12.389 1.00 0.00 N ATOM 0 H ARG A 49 1.480 6.950 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.385 5.550 -8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.809 6.646 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.644 5.322 -8.559 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.587 4.841 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.269 5.162 -11.104 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.473 3.214 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.013 2.732 -9.981 1.00 0.00 H new ATOM 0 HE ARG A 49 3.266 3.368 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.595 0.900 -9.866 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.249 -0.438 -10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.103 1.642 -12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.662 -0.020 -12.568 1.00 0.00 H new ATOM 732 N SER A 50 1.200 3.917 -6.338 1.00 0.00 N ATOM 733 CA SER A 50 1.301 2.645 -5.639 1.00 0.00 C ATOM 734 C SER A 50 -0.075 2.161 -5.197 1.00 0.00 C ATOM 735 O SER A 50 -0.503 1.066 -5.561 1.00 0.00 O ATOM 736 CB SER A 50 2.224 2.784 -4.429 1.00 0.00 C ATOM 737 OG SER A 50 3.540 2.365 -4.738 1.00 0.00 O ATOM 0 H SER A 50 1.648 4.697 -5.858 1.00 0.00 H new ATOM 0 HA SER A 50 1.720 1.908 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.239 3.822 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.835 2.190 -3.602 1.00 0.00 H new ATOM 0 HG SER A 50 3.520 1.445 -5.076 1.00 0.00 H new ATOM 743 N ALA A 51 -0.764 2.981 -4.409 1.00 0.00 N ATOM 744 CA ALA A 51 -2.092 2.625 -3.924 1.00 0.00 C ATOM 745 C ALA A 51 -3.039 2.323 -5.072 1.00 0.00 C ATOM 746 O ALA A 51 -3.990 1.567 -4.908 1.00 0.00 O ATOM 747 CB ALA A 51 -2.662 3.726 -3.046 1.00 0.00 C ATOM 0 H ALA A 51 -0.427 3.891 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.989 1.721 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.653 3.436 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.007 3.884 -2.189 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.735 4.649 -3.621 1.00 0.00 H new ATOM 753 N GLN A 52 -2.779 2.906 -6.235 1.00 0.00 N ATOM 754 CA GLN A 52 -3.623 2.670 -7.399 1.00 0.00 C ATOM 755 C GLN A 52 -3.498 1.220 -7.846 1.00 0.00 C ATOM 756 O GLN A 52 -4.483 0.584 -8.219 1.00 0.00 O ATOM 757 CB GLN A 52 -3.242 3.612 -8.542 1.00 0.00 C ATOM 758 CG GLN A 52 -3.494 5.078 -8.233 1.00 0.00 C ATOM 759 CD GLN A 52 -4.754 5.605 -8.891 1.00 0.00 C ATOM 760 OE1 GLN A 52 -5.040 5.295 -10.048 1.00 0.00 O ATOM 761 NE2 GLN A 52 -5.515 6.407 -8.155 1.00 0.00 N ATOM 0 H GLN A 52 -1.997 3.541 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.659 2.868 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.187 3.475 -8.777 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.806 3.335 -9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.570 5.210 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.640 5.668 -8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.239 6.637 -7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.375 6.793 -8.544 1.00 0.00 H new ATOM 770 N ALA A 53 -2.277 0.702 -7.787 1.00 0.00 N ATOM 771 CA ALA A 53 -2.013 -0.677 -8.164 1.00 0.00 C ATOM 772 C ALA A 53 -2.497 -1.631 -7.078 1.00 0.00 C ATOM 773 O ALA A 53 -2.794 -2.796 -7.347 1.00 0.00 O ATOM 774 CB ALA A 53 -0.528 -0.876 -8.413 1.00 0.00 C ATOM 0 H ALA A 53 -1.453 1.220 -7.480 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.557 -0.895 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.342 -1.912 -8.695 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.203 -0.217 -9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.028 -0.641 -7.505 1.00 0.00 H new ATOM 780 N PHE A 54 -2.576 -1.127 -5.850 1.00 0.00 N ATOM 781 CA PHE A 54 -3.025 -1.926 -4.722 1.00 0.00 C ATOM 782 C PHE A 54 -4.525 -2.180 -4.822 1.00 0.00 C ATOM 783 O PHE A 54 -5.005 -3.265 -4.492 1.00 0.00 O ATOM 784 CB PHE A 54 -2.649 -1.218 -3.395 1.00 0.00 C ATOM 785 CG PHE A 54 -3.788 -0.966 -2.431 1.00 0.00 C ATOM 786 CD1 PHE A 54 -4.527 -2.021 -1.926 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.111 0.321 -2.033 1.00 0.00 C ATOM 788 CE1 PHE A 54 -5.561 -1.800 -1.043 1.00 0.00 C ATOM 789 CE2 PHE A 54 -5.145 0.549 -1.151 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.869 -0.513 -0.655 1.00 0.00 C ATOM 0 H PHE A 54 -2.333 -0.165 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.526 -2.895 -4.738 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.895 -1.819 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.185 -0.262 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.290 -3.031 -2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.545 1.156 -2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.129 -2.633 -0.655 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.387 1.557 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.678 -0.337 0.038 1.00 0.00 H new ATOM 800 N THR A 55 -5.262 -1.168 -5.258 1.00 0.00 N ATOM 801 CA THR A 55 -6.701 -1.297 -5.368 1.00 0.00 C ATOM 802 C THR A 55 -7.065 -2.326 -6.426 1.00 0.00 C ATOM 803 O THR A 55 -7.941 -3.162 -6.215 1.00 0.00 O ATOM 804 CB THR A 55 -7.365 0.043 -5.675 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.505 0.232 -7.072 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.625 1.240 -5.119 1.00 0.00 C ATOM 0 H THR A 55 -4.889 -0.260 -5.537 1.00 0.00 H new ATOM 0 HA THR A 55 -7.076 -1.638 -4.403 1.00 0.00 H new ATOM 0 HB THR A 55 -8.336 -0.012 -5.183 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.620 0.346 -7.477 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.161 2.153 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.559 1.156 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.621 1.275 -5.541 1.00 0.00 H new ATOM 814 N HIS A 56 -6.371 -2.275 -7.557 1.00 0.00 N ATOM 815 CA HIS A 56 -6.613 -3.225 -8.632 1.00 0.00 C ATOM 816 C HIS A 56 -6.507 -4.648 -8.097 1.00 0.00 C ATOM 817 O HIS A 56 -7.130 -5.571 -8.621 1.00 0.00 O ATOM 818 CB HIS A 56 -5.605 -3.017 -9.762 1.00 0.00 C ATOM 819 CG HIS A 56 -5.955 -3.750 -11.020 1.00 0.00 C ATOM 820 ND1 HIS A 56 -5.153 -4.707 -11.598 1.00 0.00 N ATOM 821 CD2 HIS A 56 -7.052 -3.651 -11.813 1.00 0.00 C ATOM 822 CE1 HIS A 56 -5.771 -5.150 -12.702 1.00 0.00 C ATOM 823 NE2 HIS A 56 -6.929 -4.541 -12.876 1.00 0.00 N ATOM 0 H HIS A 56 -5.641 -1.590 -7.751 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.617 -3.063 -9.025 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.532 -1.952 -9.981 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.621 -3.342 -9.424 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.887 -2.987 -11.646 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.373 -5.906 -13.363 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.596 -4.691 -13.633 1.00 0.00 H new ATOM 831 N LEU A 57 -5.710 -4.809 -7.042 1.00 0.00 N ATOM 832 CA LEU A 57 -5.511 -6.110 -6.417 1.00 0.00 C ATOM 833 C LEU A 57 -6.706 -6.492 -5.548 1.00 0.00 C ATOM 834 O LEU A 57 -7.249 -7.589 -5.679 1.00 0.00 O ATOM 835 CB LEU A 57 -4.233 -6.096 -5.579 1.00 0.00 C ATOM 836 CG LEU A 57 -3.915 -7.404 -4.857 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.252 -8.390 -5.806 1.00 0.00 C ATOM 838 CD2 LEU A 57 -3.027 -7.137 -3.653 1.00 0.00 C ATOM 0 H LEU A 57 -5.191 -4.049 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.416 -6.856 -7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.394 -5.845 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.312 -5.300 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.848 -7.845 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.033 -9.316 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.923 -8.600 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.325 -7.962 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.808 -8.077 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.096 -6.676 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.540 -6.466 -2.964 1.00 0.00 H new ATOM 850 N LYS A 58 -7.123 -5.584 -4.663 1.00 0.00 N ATOM 851 CA LYS A 58 -8.267 -5.856 -3.790 1.00 0.00 C ATOM 852 C LYS A 58 -9.594 -5.677 -4.532 1.00 0.00 C ATOM 853 O LYS A 58 -10.663 -5.847 -3.946 1.00 0.00 O ATOM 854 CB LYS A 58 -8.248 -4.969 -2.536 1.00 0.00 C ATOM 855 CG LYS A 58 -7.711 -3.563 -2.758 1.00 0.00 C ATOM 856 CD LYS A 58 -8.541 -2.527 -2.018 1.00 0.00 C ATOM 857 CE LYS A 58 -10.002 -2.581 -2.435 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.875 -3.084 -1.338 1.00 0.00 N ATOM 0 H LYS A 58 -6.694 -4.668 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.180 -6.897 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.262 -4.898 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.644 -5.457 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.676 -3.510 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.711 -3.337 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.462 -2.696 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.142 -1.532 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.331 -1.586 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.107 -3.226 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.609 -3.705 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.301 -3.619 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.325 -2.280 -0.856 1.00 0.00 H new ATOM 872 N ALA A 59 -9.526 -5.345 -5.821 1.00 0.00 N ATOM 873 CA ALA A 59 -10.726 -5.161 -6.625 1.00 0.00 C ATOM 874 C ALA A 59 -10.861 -6.279 -7.655 1.00 0.00 C ATOM 875 O ALA A 59 -11.963 -6.593 -8.106 1.00 0.00 O ATOM 876 CB ALA A 59 -10.700 -3.804 -7.314 1.00 0.00 C ATOM 0 H ALA A 59 -8.652 -5.199 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.591 -5.198 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.604 -3.682 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.652 -3.015 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.826 -3.742 -7.962 1.00 0.00 H new ATOM 882 N LYS A 60 -9.731 -6.878 -8.020 1.00 0.00 N ATOM 883 CA LYS A 60 -9.718 -7.964 -8.993 1.00 0.00 C ATOM 884 C LYS A 60 -8.734 -9.054 -8.576 1.00 0.00 C ATOM 885 O LYS A 60 -9.044 -10.243 -8.646 1.00 0.00 O ATOM 886 CB LYS A 60 -9.349 -7.431 -10.379 1.00 0.00 C ATOM 887 CG LYS A 60 -10.437 -6.581 -11.013 1.00 0.00 C ATOM 888 CD LYS A 60 -11.171 -7.341 -12.106 1.00 0.00 C ATOM 889 CE LYS A 60 -11.645 -6.410 -13.210 1.00 0.00 C ATOM 890 NZ LYS A 60 -11.539 -7.043 -14.554 1.00 0.00 N ATOM 0 H LYS A 60 -8.812 -6.629 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.718 -8.396 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.437 -6.840 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.128 -8.272 -11.036 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.147 -6.266 -10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.996 -5.676 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.513 -8.101 -12.527 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.026 -7.863 -11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.680 -6.124 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.053 -5.495 -13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.872 -6.376 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.547 -7.293 -14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.124 -7.903 -14.580 1.00 0.00 H new ATOM 904 N GLY A 61 -7.547 -8.639 -8.142 1.00 0.00 N ATOM 905 CA GLY A 61 -6.536 -9.590 -7.718 1.00 0.00 C ATOM 906 C GLY A 61 -6.932 -10.336 -6.459 1.00 0.00 C ATOM 907 O GLY A 61 -7.870 -11.132 -6.471 1.00 0.00 O ATOM 0 H GLY A 61 -7.268 -7.660 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.357 -10.306 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.597 -9.064 -7.545 1.00 0.00 H new ATOM 911 N GLU A 62 -6.214 -10.078 -5.368 1.00 0.00 N ATOM 912 CA GLU A 62 -6.499 -10.735 -4.098 1.00 0.00 C ATOM 913 C GLU A 62 -5.822 -10.014 -2.936 1.00 0.00 C ATOM 914 O GLU A 62 -4.614 -9.776 -2.955 1.00 0.00 O ATOM 915 CB GLU A 62 -6.042 -12.194 -4.143 1.00 0.00 C ATOM 916 CG GLU A 62 -6.996 -13.152 -3.449 1.00 0.00 C ATOM 917 CD GLU A 62 -7.053 -12.933 -1.949 1.00 0.00 C ATOM 918 OE1 GLU A 62 -5.976 -12.844 -1.321 1.00 0.00 O ATOM 919 OE2 GLU A 62 -8.174 -12.852 -1.403 1.00 0.00 O ATOM 0 H GLU A 62 -5.434 -9.421 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.577 -10.700 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.928 -12.498 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.059 -12.273 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.995 -13.032 -3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.687 -14.177 -3.651 1.00 0.00 H new ATOM 926 N ILE A 63 -6.611 -9.680 -1.919 1.00 0.00 N ATOM 927 CA ILE A 63 -6.101 -8.997 -0.737 1.00 0.00 C ATOM 928 C ILE A 63 -6.789 -9.534 0.518 1.00 0.00 C ATOM 929 O ILE A 63 -7.984 -9.316 0.717 1.00 0.00 O ATOM 930 CB ILE A 63 -6.307 -7.458 -0.838 1.00 0.00 C ATOM 931 CG1 ILE A 63 -5.296 -6.872 -1.830 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.180 -6.773 0.529 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.215 -5.360 -1.818 1.00 0.00 C ATOM 0 H ILE A 63 -7.612 -9.873 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.030 -9.191 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.320 -7.272 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.309 -7.279 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.558 -7.202 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.331 -5.700 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.932 -7.174 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.187 -6.958 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.477 -5.029 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.189 -4.941 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.921 -5.019 -0.825 1.00 0.00 H new ATOM 945 N PRO A 64 -6.045 -10.230 1.393 1.00 0.00 N ATOM 946 CA PRO A 64 -6.608 -10.769 2.630 1.00 0.00 C ATOM 947 C PRO A 64 -7.241 -9.668 3.471 1.00 0.00 C ATOM 948 O PRO A 64 -6.740 -8.546 3.516 1.00 0.00 O ATOM 949 CB PRO A 64 -5.391 -11.362 3.341 1.00 0.00 C ATOM 950 CG PRO A 64 -4.426 -11.653 2.251 1.00 0.00 C ATOM 951 CD PRO A 64 -4.607 -10.536 1.269 1.00 0.00 C ATOM 0 HA PRO A 64 -7.400 -11.497 2.453 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.973 -10.661 4.064 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.654 -12.266 3.890 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.403 -11.687 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.629 -12.620 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.986 -9.675 1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.343 -10.840 0.256 1.00 0.00 H new ATOM 959 N GLU A 65 -8.348 -9.988 4.126 1.00 0.00 N ATOM 960 CA GLU A 65 -9.047 -9.016 4.956 1.00 0.00 C ATOM 961 C GLU A 65 -8.173 -8.561 6.120 1.00 0.00 C ATOM 962 O GLU A 65 -8.313 -7.445 6.610 1.00 0.00 O ATOM 963 CB GLU A 65 -10.348 -9.616 5.470 1.00 0.00 C ATOM 964 CG GLU A 65 -11.058 -8.757 6.506 1.00 0.00 C ATOM 965 CD GLU A 65 -12.325 -9.405 7.031 1.00 0.00 C ATOM 966 OE1 GLU A 65 -13.108 -9.927 6.211 1.00 0.00 O ATOM 967 OE2 GLU A 65 -12.532 -9.390 8.262 1.00 0.00 O ATOM 0 H GLU A 65 -8.781 -10.911 4.099 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.274 -8.141 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.019 -9.779 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.139 -10.593 5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.381 -8.564 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.304 -7.791 6.065 1.00 0.00 H new ATOM 974 N VAL A 66 -7.262 -9.429 6.543 1.00 0.00 N ATOM 975 CA VAL A 66 -6.338 -9.119 7.638 1.00 0.00 C ATOM 976 C VAL A 66 -5.685 -7.756 7.409 1.00 0.00 C ATOM 977 O VAL A 66 -5.278 -7.079 8.353 1.00 0.00 O ATOM 978 CB VAL A 66 -5.249 -10.225 7.763 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.813 -10.688 6.393 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.028 -9.764 8.551 1.00 0.00 C ATOM 0 H VAL A 66 -7.140 -10.360 6.144 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.904 -9.085 8.569 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.704 -11.049 8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.052 -11.461 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.671 -11.092 5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.402 -9.845 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.303 -10.576 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.576 -8.906 8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.331 -9.480 9.559 1.00 0.00 H new ATOM 990 N ALA A 67 -5.584 -7.379 6.146 1.00 0.00 N ATOM 991 CA ALA A 67 -4.978 -6.119 5.757 1.00 0.00 C ATOM 992 C ALA A 67 -5.883 -4.927 6.058 1.00 0.00 C ATOM 993 O ALA A 67 -5.426 -3.898 6.554 1.00 0.00 O ATOM 994 CB ALA A 67 -4.651 -6.169 4.277 1.00 0.00 C ATOM 0 H ALA A 67 -5.920 -7.938 5.362 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.068 -5.981 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.195 -5.227 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.956 -6.987 4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.566 -6.329 3.707 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.163 -5.064 5.732 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.127 -3.990 5.944 1.00 0.00 C ATOM 1002 C PHE A 68 -8.552 -3.871 7.407 1.00 0.00 C ATOM 1003 O PHE A 68 -9.073 -2.836 7.819 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.350 -4.207 5.053 1.00 0.00 C ATOM 1005 CG PHE A 68 -9.023 -4.278 3.602 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.733 -3.131 2.892 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -9.016 -5.492 2.946 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.437 -3.193 1.549 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.723 -5.565 1.606 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.432 -4.413 0.901 1.00 0.00 C ATOM 0 H PHE A 68 -7.558 -5.909 5.319 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.639 -3.053 5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.847 -5.130 5.351 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.059 -3.395 5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.738 -2.175 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.244 -6.395 3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.209 -2.289 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.720 -6.521 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.201 -4.466 -0.153 1.00 0.00 H new ATOM 1020 N MET A 69 -8.323 -4.928 8.188 1.00 0.00 N ATOM 1021 CA MET A 69 -8.679 -4.945 9.612 1.00 0.00 C ATOM 1022 C MET A 69 -8.686 -6.378 10.147 1.00 0.00 C ATOM 1023 O MET A 69 -7.684 -6.857 10.679 1.00 0.00 O ATOM 1024 CB MET A 69 -10.049 -4.282 9.850 1.00 0.00 C ATOM 1025 CG MET A 69 -10.648 -4.557 11.224 1.00 0.00 C ATOM 1026 SD MET A 69 -11.495 -3.123 11.913 1.00 0.00 S ATOM 1027 CE MET A 69 -13.165 -3.754 12.056 1.00 0.00 C ATOM 0 H MET A 69 -7.890 -5.790 7.857 1.00 0.00 H new ATOM 0 HA MET A 69 -7.925 -4.372 10.151 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.946 -3.205 9.721 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.745 -4.629 9.087 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.350 -5.388 11.150 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.856 -4.868 11.905 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.812 -2.980 12.469 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.530 -4.044 11.071 1.00 0.00 H new ATOM 0 HE3 MET A 69 -13.171 -4.622 12.715 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.823 -7.055 10.005 1.00 0.00 N ATOM 1038 CA LYS A 70 -9.962 -8.430 10.476 1.00 0.00 C ATOM 1039 C LYS A 70 -9.701 -8.519 11.976 1.00 0.00 C ATOM 1040 O LYS A 70 -9.688 -7.459 12.638 1.00 0.00 O ATOM 1041 CB LYS A 70 -8.999 -9.351 9.725 1.00 0.00 C ATOM 1042 CG LYS A 70 -9.384 -10.819 9.785 1.00 0.00 C ATOM 1043 CD LYS A 70 -9.700 -11.370 8.403 1.00 0.00 C ATOM 1044 CE LYS A 70 -8.434 -11.729 7.640 1.00 0.00 C ATOM 1045 NZ LYS A 70 -8.087 -13.169 7.786 1.00 0.00 N ATOM 1046 OXT LYS A 70 -9.512 -9.647 12.477 1.00 0.00 O ATOM 0 H LYS A 70 -10.662 -6.673 9.567 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.985 -8.751 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.952 -9.039 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.998 -9.230 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.570 -11.392 10.229 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.251 -10.942 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.331 -12.254 8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.269 -10.632 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.567 -11.493 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.607 -11.118 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.219 -13.373 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.935 -13.389 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.865 -13.753 7.418 1.00 0.00 H new